#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dd4 n PRO 8 N 0.00 1.34 -4.72 1.97 -0.02 -1.26 -4.96 135.00 127.35 2dd4 n PRO 8 Ca 0.00 0.49 -0.33 0.00 -2.02 0.00 0.00 63.50 61.64 2dd4 n PRO 8 Cb 0.00 -2.17 -0.15 0.00 -0.02 0.00 0.00 33.50 31.15 2dd4 n PRO 8 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2dd4 s VAL 9 N 1.69 2.66 -0.16 -1.45 1.01 -1.26 -5.11 120.40 117.78 2dd4 s VAL 9 Ca 0.88 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 62.01 2dd4 s VAL 9 Cb -0.94 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 2dd4 s VAL 9 CO 0.52 0.53 0.08 0.26 0.00 0.00 0.00 175.10 176.49 2dd4 s TRP 10 N 0.60 3.34 -0.59 5.22 0.52 -1.26 -5.05 118.94 121.72 2dd4 s TRP 10 Ca -0.09 0.23 -0.27 0.00 0.02 0.00 0.00 56.10 55.99 2dd4 s TRP 10 Cb -0.16 -2.03 0.03 0.00 -1.15 0.00 0.00 33.47 30.17 2dd4 s TRP 10 CO 0.03 0.34 1.13 0.34 0.02 0.00 0.00 176.95 178.81 2dd4 s ASP 11 N -0.08 6.38 0.00 2.95 -1.08 -1.26 -4.88 116.67 118.70 2dd4 s ASP 11 Ca 0.08 -0.10 0.19 0.00 -0.52 0.00 0.00 52.55 52.20 2dd4 s ASP 11 Cb -0.12 -2.52 0.65 0.00 -1.46 0.00 0.00 42.92 39.47 2dd4 s ASP 11 CO 0.01 -1.45 1.48 0.54 0.52 0.00 0.00 175.17 176.28 2dd4 n ARG 12 N 8.24 1.78 -0.00 4.34 1.74 -1.26 -4.07 116.66 127.43 2dd4 n ARG 12 Ca 0.06 -1.18 0.03 0.00 -0.77 0.00 0.00 57.85 55.99 2dd4 n ARG 12 Cb 0.48 -1.38 -0.05 0.00 -1.02 0.00 0.00 32.46 30.50 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 0.41 0.00 -0.01 0.55 -2.24 -1.26 -4.78 114.28 106.95 2dd4 n THR 13 Ca 0.15 -0.25 -0.10 0.00 -2.27 0.00 0.00 64.05 61.58 2dd4 n THR 13 Cb 0.33 0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 69.21 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 -0.77 -0.17 4.78 6.17 -2.00 -1.44 115.15 121.72 2dd4 h HIS 14 Ca 0.00 0.04 0.01 0.00 0.71 0.00 0.00 60.37 61.13 2dd4 h HIS 14 Cb 0.24 0.36 -0.02 0.00 2.52 0.00 0.00 27.41 30.52 2dd4 h HIS 14 CO 0.00 -0.36 0.07 1.25 0.71 0.00 0.00 177.93 179.60 2dd4 h HIS 15 N -0.34 0.14 -0.49 5.26 6.17 -1.86 -2.17 115.15 121.86 2dd4 h HIS 15 Ca 0.11 0.01 0.01 0.00 0.71 0.00 0.00 60.37 61.21 2dd4 h HIS 15 Cb 0.50 -0.04 -0.03 0.00 2.52 0.00 0.00 27.41 30.37 2dd4 h HIS 15 CO -0.39 0.08 0.31 0.00 0.71 0.00 0.00 177.93 178.64 2dd4 h ALA 16 N 1.09 0.62 -0.60 5.26 0.00 -1.82 0.23 119.26 124.04 2dd4 h ALA 16 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2dd4 h ALA 16 Cb 0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2dd4 h ALA 16 CO -0.06 0.04 0.32 0.87 0.00 0.00 0.00 179.25 180.43 2dd4 h LYS 17 N 0.64 0.82 0.10 0.00 1.57 -1.12 0.31 116.57 118.89 2dd4 h LYS 17 Ca 0.18 -0.08 -0.29 0.00 -1.87 0.00 0.00 60.65 58.59 2dd4 h LYS 17 Cb -0.05 -0.17 0.02 0.00 0.08 0.00 0.00 32.23 32.12 2dd4 h LYS 17 CO -0.05 0.61 -1.21 1.98 -0.57 0.00 0.00 179.45 180.21 2dd4 h MET 18 N 0.83 0.57 0.00 3.15 4.05 -0.93 -3.38 114.93 119.22 2dd4 h MET 18 Ca 0.21 -0.76 0.00 0.00 -0.28 0.00 0.00 59.70 58.88 2dd4 h MET 18 Cb 0.03 0.25 0.00 0.00 -0.80 0.00 0.00 31.60 31.08 2dd4 h MET 18 CO -0.03 1.33 -1.74 0.00 0.23 0.00 0.00 176.91 176.70 2dd4 n ALA 19 N -2.65 3.21 -1.64 0.39 0.00 0.03 -4.85 120.51 115.00 2dd4 n ALA 19 Ca -0.12 -0.52 -0.48 0.00 0.00 0.00 0.00 53.44 52.31 2dd4 n ALA 19 Cb 0.97 -0.77 -0.05 0.00 0.00 0.00 0.00 19.45 19.60 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 -2.11 0.00 -0.62 0.00 -1.04 0.09 -0.05 114.28 110.55 2dd4 n THR 20 Ca -0.02 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2dd4 n THR 20 Cb 0.52 -1.26 0.00 0.00 -1.82 0.00 0.00 70.33 67.77 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 3.07 1.11 0.85 3.41 0.00 -1.26 -4.72 105.19 107.65 2dd4 n GLY 21 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 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 0.03 0.00 -0.61 5.41 0.49 -5.16 119.36 117.52 2dd4 n ILE 22 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.74 2dd4 n ILE 22 Cb 0.00 -1.37 0.00 0.00 -0.71 0.00 0.00 39.64 37.56 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 3.04 1.70 3.11 7.39 0.00 0.93 -4.65 105.19 116.71 2dd4 n GLY 23 Ca -0.01 -2.01 -0.29 0.00 0.00 0.00 0.00 46.02 43.72 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 2.48 0.00 1.61 -1.08 -1.26 -0.54 116.67 117.87 2dd4 s ASP 24 Ca 0.00 -0.44 0.06 0.00 -0.52 0.00 0.00 52.55 51.65 2dd4 s ASP 24 Cb 0.00 -1.13 0.18 0.00 -1.46 0.00 0.00 42.92 40.50 2dd4 s ASP 24 CO 0.00 0.08 1.15 -0.81 0.52 0.00 0.00 175.17 176.11 2dd4 n PRO 25 N 3.78 1.46 -0.24 4.34 -0.04 -1.26 -4.95 135.00 138.08 2dd4 n PRO 25 Ca -0.21 -0.71 0.15 0.00 -0.04 0.00 0.00 63.50 62.70 2dd4 n PRO 25 Cb 0.52 -1.15 0.45 0.00 -0.04 0.00 0.00 33.50 33.28 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 1.15 0.52 0.00 0.54 7.50 -1.80 -0.61 115.11 122.41 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 0.26 -0.12 0.00 0.00 0.05 0.00 0.00 27.48 27.68 2dd4 h GLN 26 CO 0.00 0.34 0.00 0.00 -1.50 0.00 0.00 178.83 177.67 2dd4 n PHE 28 N -1.40 0.02 -1.61 0.00 3.72 -0.24 -4.99 117.46 112.97 2dd4 n PHE 28 Ca 0.02 -0.02 -0.48 0.00 -0.05 0.00 0.00 57.45 56.92 2dd4 n PHE 28 Cb 0.05 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.55 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 0.79 1.45 -0.18 -1.08 4.81 -0.51 -1.65 118.16 121.79 2dd4 n LYS 29 Ca 0.08 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 58.04 2dd4 n LYS 29 Cb 0.36 -2.08 0.00 0.00 0.02 0.00 0.00 35.03 33.33 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 2.11 2.41 0.03 3.14 0.00 -1.26 -4.86 105.19 106.76 2dd4 n GLY 30 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 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 0.08 0.04 1.61 2.81 -0.66 -3.42 117.12 115.58 2dd4 n MET 31 Ca 0.00 0.08 0.12 0.00 -1.81 0.00 0.00 57.70 56.09 2dd4 n MET 31 Cb 0.00 -1.59 0.17 0.00 -0.71 0.00 0.00 33.22 31.08 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 -1.59 3.16 -0.10 3.04 0.00 -1.26 -4.57 120.51 119.18 2dd4 n ALA 32 Ca 0.06 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2dd4 n ALA 32 Cb 0.35 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 1.38 -0.85 3.75 0.00 0.00 -1.22 -4.80 105.19 103.46 2dd4 n GLY 33 Ca 0.04 -1.18 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 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 4.60 0.35 1.61 2.20 -1.26 -4.98 119.74 122.25 2dd4 s LYS 34 Ca 0.00 1.82 -0.27 0.00 -0.36 0.00 0.00 55.97 57.17 2dd4 s LYS 34 Cb 0.00 -3.20 -0.09 0.00 -1.51 0.00 0.00 37.83 33.03 2dd4 s LYS 34 CO 0.00 0.13 1.10 -1.54 -0.36 0.00 0.00 175.35 174.68 2dd4 s SER 35 N -0.60 6.93 0.37 1.43 1.04 -1.26 -4.94 113.70 116.67 2dd4 s SER 35 Ca 0.47 2.22 0.20 0.00 0.48 0.00 0.00 55.95 59.31 2dd4 s SER 35 Cb -0.32 -2.61 0.36 0.00 0.10 0.00 0.00 66.02 63.55 2dd4 s SER 35 CO 0.40 -0.38 1.59 0.50 0.98 0.00 0.00 173.24 176.33 2dd4 h LYS 36 N 3.13 0.00 -5.15 4.02 3.64 -1.97 -3.46 116.57 116.78 2dd4 h LYS 36 Ca -0.48 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 58.53 2dd4 h LYS 36 Cb 1.22 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.89 2dd4 h LYS 36 CO 0.64 0.28 -0.68 -0.06 -2.27 0.00 0.00 179.45 177.36 2dd4 s PHE 37 N -3.19 1.50 0.19 1.91 0.08 -1.26 -5.12 117.98 112.09 2dd4 s PHE 37 Ca 0.04 -0.82 0.01 0.00 0.12 0.00 0.00 56.93 56.28 2dd4 s PHE 37 Cb 0.07 -0.82 -0.05 0.00 -0.57 0.00 0.00 43.02 41.66 2dd4 s PHE 37 CO 0.69 0.06 0.05 -0.80 -0.10 0.00 0.00 175.22 175.13 2dd4 s ASN 38 N -3.27 0.94 0.23 1.36 -0.87 -1.26 -5.06 114.94 107.01 2dd4 s ASN 38 Ca 0.24 -1.27 -0.31 0.00 -1.57 0.00 0.00 52.86 49.95 2dd4 s ASN 38 Cb 0.04 0.19 -0.14 0.00 -0.02 0.00 0.00 41.25 41.32 2dd4 s ASN 38 CO 0.06 -0.67 1.40 0.52 -2.57 0.00 0.00 177.10 175.83 2dd4 n VAL 39 N -0.29 0.91 0.00 1.60 0.31 -1.26 -1.90 118.33 117.70 2dd4 n VAL 39 Ca -0.03 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 2dd4 n VAL 39 Cb 0.64 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.15 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 2.19 3.22 3.77 2.92 0.00 0.29 -5.02 105.19 112.54 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 -0.55 6.11 -0.23 1.61 1.11 -0.80 -4.70 116.67 119.22 2dd4 s ASP 41 Ca 0.00 2.65 -0.12 0.00 0.18 0.00 0.00 52.55 55.25 2dd4 s ASP 41 Cb 0.00 -2.63 -0.05 0.00 1.07 0.00 0.00 42.92 41.31 2dd4 s ASP 41 CO 0.00 -0.99 0.24 -0.13 1.18 0.00 0.00 175.17 175.47 2dd4 s ARG 42 N -2.41 4.10 0.08 8.23 1.81 -1.26 -1.32 118.95 128.17 2dd4 s ARG 42 Ca 0.60 -0.12 0.05 0.00 -1.72 0.00 0.00 55.73 54.54 2dd4 s ARG 42 Cb -0.38 -3.54 -0.03 0.00 -0.45 0.00 0.00 34.95 30.55 2dd4 s ARG 42 CO 0.47 0.02 -0.14 0.14 -0.68 0.00 0.00 175.30 175.12 2dd4 s VAL 43 N 1.16 1.11 -0.07 3.52 -7.23 -0.61 -0.79 120.40 117.47 2dd4 s VAL 43 Ca 0.11 -1.38 0.01 0.00 -1.81 0.00 0.00 61.98 58.91 2dd4 s VAL 43 Cb -0.14 -1.14 -0.03 0.00 0.56 0.00 0.00 36.38 35.63 2dd4 s VAL 43 CO 0.06 -0.29 -0.08 -0.60 -0.31 0.00 0.00 175.10 173.88 2dd4 s ARG 44 N -1.96 2.79 -0.35 4.82 3.52 0.04 -0.74 118.95 127.08 2dd4 s ARG 44 Ca -0.00 -0.57 -0.27 0.00 -0.13 0.00 0.00 55.73 54.76 2dd4 s ARG 44 Cb -0.09 -2.58 0.01 0.00 -1.56 0.00 0.00 34.95 30.73 2dd4 s ARG 44 CO 0.02 0.62 0.97 0.42 -0.81 0.00 0.00 175.30 176.52 2dd4 s ILE 45 N -0.70 4.57 0.25 4.11 1.01 -0.11 -2.56 121.20 127.77 2dd4 s ILE 45 Ca 0.11 1.38 -0.30 0.00 0.00 0.00 0.00 60.65 61.84 2dd4 s ILE 45 Cb -0.11 -4.35 -0.10 0.00 0.01 0.00 0.00 42.46 37.91 2dd4 s ILE 45 CO 0.02 -0.50 1.32 -0.54 0.00 0.00 0.00 174.94 175.23 2dd4 s LYS 46 N 3.52 4.37 -1.30 2.79 1.02 0.12 -0.32 119.74 129.94 2dd4 s LYS 46 Ca 0.40 2.13 -0.10 0.00 0.02 0.00 0.00 55.97 58.42 2dd4 s LYS 46 Cb -0.12 -3.14 0.15 0.00 -0.52 0.00 0.00 37.83 34.20 2dd4 s LYS 46 CO 0.17 -0.23 1.88 -3.47 -0.92 0.00 0.00 175.35 172.79 2dd4 n ASP 47 N 1.92 4.95 -4.78 2.83 2.03 -1.26 -4.77 116.55 117.48 2dd4 n ASP 47 Ca 0.04 -3.07 -0.34 0.00 0.52 0.00 0.00 54.79 51.95 2dd4 n ASP 47 Cb 0.42 -1.51 0.03 0.00 -0.72 0.00 0.00 41.12 39.34 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 0.33 3.52 0.35 -2.67 1.43 -1.26 -4.95 118.68 115.42 2dd4 s LEU 48 Ca 0.41 2.03 -0.27 0.00 -1.03 0.00 0.00 54.13 55.26 2dd4 s LEU 48 Cb 0.09 -4.56 -0.12 0.00 0.03 0.00 0.00 46.19 41.63 2dd4 s LEU 48 CO -0.01 -1.44 1.20 -2.65 0.23 0.00 0.00 176.35 173.69 2dd4 n PRO 49 N -2.02 1.87 -0.15 1.29 -0.02 -1.26 -4.90 135.00 129.81 2dd4 n PRO 49 Ca 0.10 0.66 0.09 0.00 -2.02 0.00 0.00 63.50 62.33 2dd4 n PRO 49 Cb 0.52 -2.21 0.16 0.00 -0.02 0.00 0.00 33.50 31.95 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 0.75 2.68 -4.64 2.55 5.75 -1.26 -5.02 116.55 117.36 2dd4 n ASP 50 Ca 0.06 -2.98 -0.47 0.00 -0.01 0.00 0.00 54.79 51.39 2dd4 n ASP 50 Cb 0.36 -0.42 -0.04 0.00 -1.03 0.00 0.00 41.12 39.99 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 -1.12 2.55 0.00 -2.12 7.94 -1.26 -2.94 117.00 120.04 2dd4 n LEU 51 Ca 0.16 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.17 2dd4 n LEU 51 Cb 0.67 -1.34 0.00 0.00 0.53 0.00 0.00 43.42 43.27 2dd4 n LEU 51 CO 0.04 -0.65 0.00 0.49 -1.11 0.00 0.00 177.39 176.17 2dd4 n PHE 52 N 2.59 0.00 -3.58 1.96 3.72 -1.26 -4.84 117.46 116.05 2dd4 n PHE 52 Ca 0.16 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.44 2dd4 n PHE 52 Cb 0.27 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.75 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 -0.43 -0.19 1.38 5.04 -1.15 -5.17 117.35 116.83 2dd4 s TYR 53 Ca 0.00 0.79 -0.31 0.00 -2.44 0.00 0.00 57.07 55.11 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 -0.92 0.00 -0.08 4.34 -1.32 -1.26 -4.81 115.64 111.58 2dd4 s THR 54 Ca -0.02 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.58 2dd4 s THR 54 Cb -0.01 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 70.17 2dd4 s THR 54 CO 0.02 0.00 1.08 0.54 -2.21 0.00 0.00 174.62 174.05 2dd4 n ARG 55 N 0.34 1.13 -3.60 7.08 1.74 -1.26 -4.89 116.66 117.19 2dd4 n ARG 55 Ca -0.04 -2.06 -0.40 0.00 -0.77 0.00 0.00 57.85 54.58 2dd4 n ARG 55 Cb 0.59 -1.20 -0.08 0.00 -1.02 0.00 0.00 32.46 30.74 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 -1.97 4.13 0.26 0.55 2.01 -1.26 -4.99 115.64 114.35 2dd4 s THR 56 Ca 0.21 -2.26 -0.28 0.00 0.31 0.00 0.00 61.69 59.67 2dd4 s THR 56 Cb 0.18 -3.70 -0.15 0.00 0.01 0.00 0.00 72.50 68.85 2dd4 s THR 56 CO 0.02 -0.83 0.85 0.23 -0.69 0.00 0.00 174.62 174.20 2dd4 n MET 57 N 4.32 0.90 -0.17 4.92 2.81 -1.26 -4.87 117.12 123.76 2dd4 n MET 57 Ca 0.00 0.31 0.12 0.00 -1.81 0.00 0.00 57.70 56.33 2dd4 n MET 57 Cb 0.41 -1.56 0.45 0.00 -0.71 0.00 0.00 33.22 31.80 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 1.67 0.86 0.00 2.03 2.02 -1.99 -1.65 112.91 115.86 2dd4 h THR 58 Ca -0.36 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.64 2dd4 h THR 58 Cb 1.37 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 2dd4 h THR 58 CO 0.60 0.10 0.00 0.00 0.37 0.00 0.00 175.52 176.58 2dd4 n TYR 59 N -4.49 0.34 0.39 3.16 0.18 -1.26 -2.26 117.16 113.21 2dd4 n TYR 59 Ca 0.13 0.15 0.11 0.00 1.88 0.00 0.00 57.90 60.18 2dd4 n TYR 59 Cb 0.43 -0.75 -0.10 0.00 -0.38 0.00 0.00 39.34 38.55 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 -1.83 0.08 -1.67 -3.48 -2.24 -0.62 -4.91 114.28 99.60 2dd4 n THR 60 Ca 0.01 -0.32 -0.46 0.00 -2.27 0.00 0.00 64.05 61.02 2dd4 n THR 60 Cb 0.11 0.28 -0.04 0.00 -2.10 0.00 0.00 70.33 68.57 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 -2.02 2.21 -0.70 -0.78 5.12 -0.96 -1.61 116.66 117.91 2dd4 n ARG 61 Ca -0.00 0.80 0.00 0.00 -1.93 0.00 0.00 57.85 56.71 2dd4 n ARG 61 Cb 0.48 -2.58 0.00 0.00 -1.16 0.00 0.00 32.46 29.20 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 3.50 1.52 3.89 -0.13 0.00 0.57 -4.98 105.19 109.56 2dd4 n GLY 62 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.64 3.52 -0.11 4.61 0.00 -0.63 -4.73 121.76 120.78 2dd4 s ALA 63 Ca 0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 51.96 51.53 2dd4 s ALA 63 Cb 0.00 -2.44 -0.02 0.00 0.00 0.00 0.00 23.12 20.65 2dd4 s ALA 63 CO 0.00 0.16 -0.09 0.99 0.00 0.00 0.00 175.76 176.82 2dd4 s THR 64 N -2.18 3.47 0.21 0.00 2.01 -1.26 -0.93 115.64 116.96 2dd4 s THR 64 Ca 0.47 -0.53 0.04 0.00 0.31 0.00 0.00 61.69 61.97 2dd4 s THR 64 Cb -0.11 -2.46 -0.01 0.00 0.01 0.00 0.00 72.50 69.93 2dd4 s THR 64 CO 0.30 0.54 0.14 0.61 -0.69 0.00 0.00 174.62 175.52 2dd4 n GLY 65 N 3.04 3.45 3.26 4.40 0.00 0.08 -4.69 105.19 114.74 2dd4 n GLY 65 Ca -0.18 -1.88 -0.33 0.00 0.00 0.00 0.00 46.02 43.64 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 -2.67 2.53 -0.02 2.61 2.01 -0.26 -1.58 115.64 118.25 2dd4 s THR 66 Ca 0.19 -0.83 -0.30 0.00 0.31 0.00 0.00 61.69 61.06 2dd4 s THR 66 Cb 0.01 -2.04 -0.05 0.00 0.01 0.00 0.00 72.50 70.43 2dd4 s THR 66 CO 0.14 0.53 1.39 -0.63 -0.69 0.00 0.00 174.62 175.36 2dd4 s ILE 67 N 0.61 3.79 -0.45 1.82 1.01 -0.44 -1.05 121.20 126.50 2dd4 s ILE 67 Ca -0.10 1.14 0.08 0.00 0.00 0.00 0.00 60.65 61.77 2dd4 s ILE 67 Cb -0.16 -3.73 -0.07 0.00 0.01 0.00 0.00 42.46 38.51 2dd4 s ILE 67 CO 0.03 -0.02 0.38 1.33 0.00 0.00 0.00 174.94 176.66 2dd4 n VAL 68 N 4.79 0.00 -3.64 2.92 0.24 -0.31 -0.55 118.33 121.78 2dd4 n VAL 68 Ca 0.13 -0.33 -0.08 0.00 -2.04 0.00 0.00 64.34 62.02 2dd4 n VAL 68 Cb 0.44 1.02 -0.07 0.00 -1.47 0.00 0.00 33.84 33.76 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 -1.66 0.45 -0.56 7.34 3.52 -1.21 -4.91 118.95 121.93 2dd4 s ARG 69 Ca 0.04 0.53 -0.18 0.00 -0.13 0.00 0.00 55.73 55.99 2dd4 s ARG 69 Cb 0.06 0.22 0.10 0.00 -1.56 0.00 0.00 34.95 33.77 2dd4 s ARG 69 CO 0.31 -0.05 0.65 -0.51 -0.81 0.00 0.00 175.30 174.88 2dd4 s LEU 70 N 0.20 5.42 0.07 -0.88 1.02 -1.26 -0.95 118.68 122.30 2dd4 s LEU 70 Ca 0.04 -1.37 -0.16 0.00 0.02 0.00 0.00 54.13 52.65 2dd4 s LEU 70 Cb -0.05 -2.31 -0.15 0.00 0.02 0.00 0.00 46.19 43.70 2dd4 s LEU 70 CO -0.07 -1.02 1.30 -0.37 0.02 0.00 0.00 176.35 176.20 2dd4 h VAL 71 N 5.90 1.33 0.00 -1.59 -1.51 -1.84 -3.49 116.25 115.05 2dd4 h VAL 71 Ca -0.29 -1.74 0.00 0.00 -1.23 0.00 0.00 66.70 63.44 2dd4 h VAL 71 Cb 1.09 1.99 0.00 0.00 -2.13 0.00 0.00 31.29 32.24 2dd4 h VAL 71 CO 1.06 0.53 0.00 0.00 -1.23 0.00 0.00 177.57 177.93 2dd4 n TYR 72 N -4.20 0.00 -4.67 5.19 0.18 -1.25 -5.05 117.16 107.35 2dd4 n TYR 72 Ca -0.07 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.39 2dd4 n TYR 72 Cb 0.58 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.42 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 -2.00 2.38 -0.15 -3.48 2.02 -1.26 -1.42 118.70 114.79 2dd4 s GLU 73 Ca 0.00 -0.79 -0.33 0.00 0.02 0.00 0.00 54.97 53.87 2dd4 s GLU 73 Cb 0.00 -2.36 0.13 0.00 0.10 0.00 0.00 34.13 32.00 2dd4 s GLU 73 CO 0.00 0.59 1.12 0.45 0.02 0.00 0.00 175.26 177.44 2dd4 s SER 74 N -1.18 -0.21 0.61 -0.19 0.15 -0.72 -4.56 113.70 107.60 2dd4 s SER 74 Ca 0.14 0.04 -0.18 0.00 0.70 0.00 0.00 55.95 56.65 2dd4 s SER 74 Cb -0.11 0.21 -0.03 0.00 -1.71 0.00 0.00 66.02 64.39 2dd4 s SER 74 CO 0.04 -0.33 1.18 -2.84 1.20 0.00 0.00 173.24 172.50 2dd4 s PRO 75 N -2.37 2.92 0.51 5.44 0.02 -1.26 -1.75 135.00 138.51 2dd4 s PRO 75 Ca 0.07 1.73 -0.22 0.00 0.02 0.00 0.00 61.00 62.60 2dd4 s PRO 75 Cb -0.01 -1.93 -0.06 0.00 0.02 0.00 0.00 34.50 32.52 2dd4 s PRO 75 CO -0.05 -1.23 1.23 0.00 -0.33 0.00 0.00 177.00 176.62 2dd4 s ALA 76 N -1.77 2.86 0.43 -1.55 0.00 -1.26 -4.76 121.76 115.71 2dd4 s ALA 76 Ca 0.75 1.06 0.09 0.00 0.00 0.00 0.00 51.96 53.86 2dd4 s ALA 76 Cb -0.28 -3.45 0.92 0.00 0.00 0.00 0.00 23.12 20.32 2dd4 s ALA 76 CO 0.34 -0.95 2.06 0.00 0.00 0.00 0.00 175.76 177.22 2dd4 h ALA 77 N 1.67 1.74 -0.22 0.00 0.00 -1.98 0.11 119.26 120.58 2dd4 h ALA 77 Ca -0.50 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.43 2dd4 h ALA 77 Cb 1.27 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2dd4 h ALA 77 CO 0.58 0.23 0.19 0.93 0.00 0.00 0.00 179.25 181.18 2dd4 h GLU 78 N 0.42 0.00 0.01 0.00 3.07 -1.90 -0.20 114.58 115.98 2dd4 h GLU 78 Ca 0.11 0.00 -0.40 0.00 -0.50 0.00 0.00 59.36 58.57 2dd4 h GLU 78 Cb -0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 27.84 2dd4 h GLU 78 CO -0.02 0.00 -2.44 -0.25 -1.40 0.00 0.00 179.01 174.90 2dd4 n ASP 79 N -4.12 1.98 -0.34 1.42 8.00 -0.18 -4.46 116.55 118.85 2dd4 n ASP 79 Ca 0.02 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.52 2dd4 n ASP 79 Cb 0.33 -0.54 0.16 0.00 -0.02 0.00 0.00 41.12 41.04 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 -0.24 1.21 0.00 -1.24 4.81 -0.67 -0.18 114.58 118.27 2dd4 h GLU 80 Ca -0.59 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.56 2dd4 h GLU 80 Cb 1.83 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 30.94 2dd4 h GLU 80 CO -0.16 0.80 0.00 0.00 -0.73 0.00 0.00 179.01 178.92 2dd4 n ALA 81 N -2.39 1.51 -1.17 2.92 0.00 -0.10 -1.78 120.51 119.49 2dd4 n ALA 81 Ca 0.12 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.61 2dd4 n ALA 81 Cb 0.05 -1.16 0.13 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.43 0.00 -1.18 0.00 3.72 -0.71 -4.98 117.46 112.88 2dd4 n PHE 82 Ca 0.03 -0.91 -0.06 0.00 -0.05 0.00 0.00 57.45 56.46 2dd4 n PHE 82 Cb 0.10 -0.14 -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 -1.29 0.85 3.22 1.37 0.00 -0.73 -5.00 105.19 103.61 2dd4 n GLY 83 Ca 0.14 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.78 5.57 -0.07 1.61 0.02 -0.16 -4.91 114.94 114.22 2dd4 s ASN 84 Ca 0.00 -1.74 0.11 0.00 -1.02 0.00 0.00 52.86 50.21 2dd4 s ASN 84 Cb 0.00 -1.96 0.27 0.00 0.02 0.00 0.00 41.25 39.58 2dd4 s ASN 84 CO 0.00 -0.59 1.20 -0.62 0.02 0.00 0.00 177.10 177.11 2dd4 n GLU 85 N 4.85 2.57 0.21 -0.60 1.02 -1.26 -3.19 120.64 124.23 2dd4 n GLU 85 Ca -0.08 -2.21 0.05 0.00 -0.02 0.00 0.00 57.16 54.90 2dd4 n GLU 85 Cb 0.42 -1.38 0.44 0.00 -0.02 0.00 0.00 31.44 30.90 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 0.97 0.00 -5.62 3.49 9.09 -1.97 -3.43 114.58 117.12 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 0.90 0.00 -0.19 0.00 -1.65 0.00 0.00 28.75 27.80 2dd4 h GLU 86 CO 0.05 0.29 -0.66 -0.80 0.05 0.00 0.00 179.01 177.94 2dd4 s ASN 87 N -6.85 4.89 -0.01 3.06 0.01 -1.26 -5.11 114.94 109.68 2dd4 s ASN 87 Ca -0.03 -0.04 0.07 0.00 -0.71 0.00 0.00 52.86 52.15 2dd4 s ASN 87 Cb 0.14 -1.60 -0.02 0.00 0.41 0.00 0.00 41.25 40.19 2dd4 s ASN 87 CO 0.70 0.25 -0.22 -0.69 -1.51 0.00 0.00 177.10 175.63 2dd4 s VAL 88 N -0.14 1.75 0.16 1.60 1.01 -1.26 -4.12 120.40 119.39 2dd4 s VAL 88 Ca 0.03 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 60.99 2dd4 s VAL 88 Cb -0.13 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 2dd4 s VAL 88 CO 0.02 0.45 0.10 -1.83 0.00 0.00 0.00 175.10 173.84 2dd4 s GLU 89 N -0.65 1.04 0.34 2.72 -1.05 -0.71 -4.20 118.70 116.19 2dd4 s GLU 89 Ca 0.09 -1.49 -0.27 0.00 -0.15 0.00 0.00 54.97 53.15 2dd4 s GLU 89 Cb -0.09 0.26 -0.09 0.00 -0.44 0.00 0.00 34.13 33.77 2dd4 s GLU 89 CO -0.00 -0.32 1.06 -1.58 0.95 0.00 0.00 175.26 175.37 2dd4 s TRP 90 N -4.08 3.45 -0.07 4.83 0.52 -1.26 -1.76 118.94 120.57 2dd4 s TRP 90 Ca 0.29 1.69 0.02 0.00 0.02 0.00 0.00 56.10 58.11 2dd4 s TRP 90 Cb 0.07 -3.18 -0.03 0.00 -1.15 0.00 0.00 33.47 29.18 2dd4 s TRP 90 CO 0.05 -0.51 -0.10 -0.06 0.02 0.00 0.00 176.95 176.35 2dd4 s PHE 91 N -1.42 2.83 0.00 -1.98 0.40 -0.51 -0.49 117.98 116.82 2dd4 s PHE 91 Ca 0.51 -0.11 0.07 0.00 -0.60 0.00 0.00 56.93 56.80 2dd4 s PHE 91 Cb -0.26 -1.69 -0.02 0.00 0.51 0.00 0.00 43.02 41.55 2dd4 s PHE 91 CO 0.33 0.22 -0.22 0.71 0.70 0.00 0.00 175.22 176.97 2dd4 s TYR 92 N -0.67 1.92 -0.26 0.36 2.02 -0.22 -2.43 117.35 118.07 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 -1.21 -0.04 0.00 -0.40 0.00 0.00 41.96 40.20 2dd4 s TYR 92 CO 0.01 0.01 0.40 0.45 -1.57 0.00 0.00 175.55 174.85 2dd4 s SER 93 N -0.73 6.30 -0.03 2.29 0.15 -0.12 -0.65 113.70 120.91 2dd4 s SER 93 Ca 0.08 0.35 0.06 0.00 0.70 0.00 0.00 55.95 57.14 2dd4 s SER 93 Cb -0.09 -2.22 -0.02 0.00 -1.71 0.00 0.00 66.02 61.98 2dd4 s SER 93 CO 0.00 -0.19 -0.19 -0.63 1.20 0.00 0.00 173.24 173.43 2dd4 s ILE 94 N 2.04 2.66 -0.19 6.45 1.01 0.43 -1.16 121.20 132.45 2dd4 s ILE 94 Ca 0.16 -0.92 -0.05 0.00 0.00 0.00 0.00 60.65 59.85 2dd4 s ILE 94 Cb -0.16 -2.01 -0.02 0.00 0.01 0.00 0.00 42.46 40.28 2dd4 s ILE 94 CO 0.10 0.56 -0.01 -0.69 0.00 0.00 0.00 174.94 174.89 2dd4 s VAL 95 N -0.71 3.88 0.05 2.92 1.01 -0.21 -1.56 120.40 125.77 2dd4 s VAL 95 Ca 0.11 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 61.80 2dd4 s VAL 95 Cb -0.10 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 2dd4 s VAL 95 CO 0.01 0.44 -0.07 -0.36 0.00 0.00 0.00 175.10 175.12 2dd4 s PHE 96 N 0.88 2.84 -0.02 5.22 0.08 0.46 -1.11 117.98 126.33 2dd4 s PHE 96 Ca 0.00 -0.09 -0.26 0.00 0.12 0.00 0.00 56.93 56.70 2dd4 s PHE 96 Cb -0.14 -1.53 -0.04 0.00 -0.57 0.00 0.00 43.02 40.74 2dd4 s PHE 96 CO 0.02 0.40 0.83 0.00 -0.10 0.00 0.00 175.22 176.37 2dd4 s ALA 97 N -1.12 3.27 0.37 5.36 0.00 -1.26 -1.01 121.76 127.38 2dd4 s ALA 97 Ca 0.20 0.33 0.13 0.00 0.00 0.00 0.00 51.96 52.61 2dd4 s ALA 97 Cb -0.11 -3.12 0.94 0.00 0.00 0.00 0.00 23.12 20.82 2dd4 s ALA 97 CO 0.11 -0.12 1.83 1.96 0.00 0.00 0.00 175.76 179.54 2dd4 h GLN 98 N 6.55 0.55 0.00 0.00 1.08 -1.68 0.12 115.11 121.72 2dd4 h GLN 98 Ca -0.42 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 56.75 2dd4 h GLN 98 Cb 1.21 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 28.51 2dd4 h GLN 98 CO 0.74 0.36 -0.03 1.57 -0.95 0.00 0.00 178.83 180.53 2dd4 h LYS 99 N 0.56 0.00 0.00 1.46 2.10 -1.82 -0.67 116.57 118.20 2dd4 h LYS 99 Ca 0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.16 2dd4 h LYS 99 Cb 1.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.36 2dd4 h LYS 99 CO -0.25 0.03 -0.20 -0.25 -2.00 0.00 0.00 179.45 176.78 2dd4 n ASP 100 N -3.76 0.24 -0.12 7.07 8.00 0.40 -4.10 116.55 124.28 2dd4 n ASP 100 Ca -0.03 0.22 -0.21 0.00 0.71 0.00 0.00 54.79 55.48 2dd4 n ASP 100 Cb 0.12 -0.22 -0.09 0.00 -0.02 0.00 0.00 41.12 40.90 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 -1.55 2.18 -4.24 0.64 4.77 -0.37 -4.88 117.00 113.55 2dd4 n LEU 101 Ca 0.06 0.13 -0.36 0.00 -0.03 0.00 0.00 56.01 55.81 2dd4 n LEU 101 Cb 0.35 -0.73 -0.14 0.00 -2.33 0.00 0.00 43.42 40.57 2dd4 n LEU 101 CO 0.30 0.64 -0.34 0.26 -1.33 0.00 0.00 177.39 176.92 2dd4 s TRP 102 N -2.44 3.15 0.52 -1.77 0.52 -0.54 -4.99 118.94 113.39 2dd4 s TRP 102 Ca -0.32 -1.46 0.26 0.00 0.02 0.00 0.00 56.10 54.60 2dd4 s TRP 102 Cb 0.11 -2.14 1.37 0.00 -1.15 0.00 0.00 33.47 31.65 2dd4 s TRP 102 CO 0.45 -0.71 1.95 -1.35 0.02 0.00 0.00 176.95 177.31 2dd4 h PRO 103 N 8.09 0.07 -0.01 4.98 0.11 -1.87 -1.76 132.00 141.61 2dd4 h PRO 103 Ca -0.29 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2dd4 h PRO 103 Cb 1.10 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2dd4 h PRO 103 CO 0.57 0.04 -0.15 -0.85 -0.21 0.00 0.00 178.00 177.41 2dd4 n GLU 104 N -4.36 0.95 -1.66 1.05 0.00 -1.26 -4.93 120.64 110.43 2dd4 n GLU 104 Ca 0.13 -0.48 -0.46 0.00 0.00 0.00 0.00 57.16 56.35 2dd4 n GLU 104 Cb 0.71 -1.49 -0.03 0.00 0.00 0.00 0.00 31.44 30.63 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 -0.60 2.08 -2.55 -1.84 9.36 -0.66 -4.91 117.16 118.05 2dd4 n TYR 105 Ca 0.15 0.42 -0.40 0.00 3.32 0.00 0.00 57.90 61.39 2dd4 n TYR 105 Cb 0.32 -2.46 -0.05 0.00 -0.63 0.00 0.00 39.34 36.52 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 0.43 7.37 0.40 2.98 0.15 -1.26 -4.93 113.70 118.84 2dd4 s SER 106 Ca 0.72 2.18 0.29 0.00 0.70 0.00 0.00 55.95 59.84 2dd4 s SER 106 Cb -0.69 -2.62 1.32 0.00 -1.71 0.00 0.00 66.02 62.32 2dd4 s SER 106 CO 0.47 -0.07 1.86 0.44 1.20 0.00 0.00 173.24 177.14 2dd4 h ASP 107 N 3.95 0.00 0.05 5.45 3.32 -1.99 -2.19 116.42 125.01 2dd4 h ASP 107 Ca -0.46 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.56 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 0.67 0.00 -0.09 0.74 -1.72 0.00 0.00 179.24 178.84 2dd4 h THR 108 N 0.00 1.11 -2.00 0.35 2.02 -2.01 -2.58 112.91 109.79 2dd4 h THR 108 Ca 0.00 -0.49 -0.68 0.00 0.77 0.00 0.00 66.41 66.01 2dd4 h THR 108 Cb 0.28 1.16 -0.36 0.00 -1.74 0.00 0.00 68.15 67.50 2dd4 h THR 108 CO 0.00 0.15 0.05 0.49 0.37 0.00 0.00 175.52 176.58 2dd4 n PHE 109 N -4.37 3.38 0.28 3.16 3.72 -0.82 -4.84 117.46 117.97 2dd4 n PHE 109 Ca -0.02 -3.09 0.14 0.00 -0.05 0.00 0.00 57.45 54.43 2dd4 n PHE 109 Cb 0.20 -0.67 0.68 0.00 -0.94 0.00 0.00 39.48 38.75 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 3.14 1.00 -0.02 4.37 0.00 -1.59 -2.97 119.26 123.19 2dd4 h ALA 110 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2dd4 h ALA 110 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2dd4 h ALA 110 CO 1.04 0.00 -0.16 0.09 0.00 0.00 0.00 179.25 180.21 2dd4 n ASN 111 N -2.51 2.63 -4.77 0.00 3.02 -1.26 -4.96 115.26 107.42 2dd4 n ASN 111 Ca -0.00 -1.82 -0.40 0.00 -0.03 0.00 0.00 54.58 52.33 2dd4 n ASN 111 Cb 0.14 0.16 -0.00 0.00 -0.61 0.00 0.00 39.78 39.47 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 -2.17 6.26 0.29 6.41 1.01 -1.12 -4.96 116.67 122.39 2dd4 s ASP 112 Ca 0.25 2.74 0.03 0.00 0.71 0.00 0.00 52.55 56.28 2dd4 s ASP 112 Cb 0.19 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.44 2dd4 s ASP 112 CO 0.39 -0.89 0.18 0.42 0.21 0.00 0.00 175.17 175.48 2dd4 s THR 113 N -1.23 0.18 -0.04 -1.27 -4.23 -1.26 -1.85 115.64 105.94 2dd4 s THR 113 Ca 0.57 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.06 2dd4 s THR 113 Cb -0.40 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 70.97 2dd4 s THR 113 CO 0.52 0.00 0.07 -0.22 -0.54 0.00 0.00 174.62 174.44 2dd4 s LEU 114 N -3.33 0.56 -0.08 4.79 0.20 -0.18 -4.80 118.68 115.85 2dd4 s LEU 114 Ca 0.37 0.11 0.02 0.00 0.69 0.00 0.00 54.13 55.32 2dd4 s LEU 114 Cb 0.05 -0.02 -0.02 0.00 -0.43 0.00 0.00 46.19 45.77 2dd4 s LEU 114 CO 0.19 -0.19 -0.13 -0.70 -0.29 0.00 0.00 176.35 175.23 2dd4 s GLU 115 N 1.63 2.86 0.23 1.98 2.12 -1.26 -0.41 118.70 125.85 2dd4 s GLU 115 Ca -0.02 -0.68 -0.18 0.00 0.36 0.00 0.00 54.97 54.45 2dd4 s GLU 115 Cb -0.12 -2.50 0.02 0.00 0.26 0.00 0.00 34.13 31.79 2dd4 s GLU 115 CO -0.04 0.48 0.57 -0.08 -0.54 0.00 0.00 175.26 175.65 2dd4 s THR 116 N -0.33 0.01 -0.09 -1.70 -1.32 -0.60 -4.97 115.64 106.64 2dd4 s THR 116 Ca 0.03 -0.97 -0.03 0.00 -1.21 0.00 0.00 61.69 59.51 2dd4 s THR 116 Cb -0.13 -1.83 -0.04 0.00 -1.51 0.00 0.00 72.50 69.00 2dd4 s THR 116 CO 0.02 -0.05 0.04 -1.61 -2.21 0.00 0.00 174.62 170.82 2dd4 s GLU 117 N -3.92 3.11 -0.03 7.08 2.02 -1.26 -0.43 118.70 125.27 2dd4 s GLU 117 Ca 0.13 -0.34 -0.01 0.00 0.02 0.00 0.00 54.97 54.76 2dd4 s GLU 117 Cb -0.02 -2.90 0.02 0.00 0.10 0.00 0.00 34.13 31.33 2dd4 s GLU 117 CO 0.03 0.72 0.07 0.42 0.02 0.00 0.00 175.26 176.51 2dd4 s ILE 118 N -0.95 -0.03 0.53 -1.63 1.01 0.18 -4.92 121.20 115.38 2dd4 s ILE 118 Ca 0.15 0.12 -0.19 0.00 0.00 0.00 0.00 60.65 60.73 2dd4 s ILE 118 Cb -0.12 -0.12 -0.07 0.00 0.01 0.00 0.00 42.46 42.17 2dd4 s ILE 118 CO 0.04 0.05 1.09 -2.16 0.00 0.00 0.00 174.94 173.96 2dd4 s PRO 119 N 0.69 3.50 0.41 2.79 0.04 -1.26 -1.05 135.00 140.11 2dd4 s PRO 119 Ca -0.05 1.49 0.23 0.00 0.04 0.00 0.00 61.00 62.71 2dd4 s PRO 119 Cb -0.08 -2.04 1.25 0.00 0.04 0.00 0.00 34.50 33.68 2dd4 s PRO 119 CO -0.03 -0.71 1.68 1.49 0.04 0.00 0.00 177.00 179.48 2dd4 h GLU 120 N 1.26 0.23 -0.49 4.56 4.81 -1.13 -2.09 114.58 121.73 2dd4 h GLU 120 Ca -0.50 -0.01 0.14 0.00 -0.13 0.00 0.00 59.36 58.86 2dd4 h GLU 120 Cb 1.24 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 2dd4 h GLU 120 CO 0.58 0.15 0.40 0.07 -0.73 0.00 0.00 179.01 179.47 2dd4 h ARG 121 N 0.24 0.00 -0.01 1.92 0.11 -1.91 -1.07 114.38 113.65 2dd4 h ARG 121 Ca 0.72 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.80 2dd4 h ARG 121 Cb 2.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.11 2dd4 h ARG 121 CO -0.41 0.00 -0.18 0.66 0.10 0.00 0.00 179.97 180.14 2dd4 n TYR 122 N -4.14 0.00 -3.95 4.08 4.01 -0.78 -4.92 117.16 111.46 2dd4 n TYR 122 Ca 0.09 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.52 2dd4 n TYR 122 Cb 0.60 -0.14 -0.05 0.00 -0.31 0.00 0.00 39.34 39.45 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 -2.45 4.23 -0.11 7.72 1.43 -0.41 0.13 118.68 129.22 2dd4 s LEU 123 Ca 0.27 0.21 -0.14 0.00 -1.03 0.00 0.00 54.13 53.44 2dd4 s LEU 123 Cb 0.20 -2.82 0.04 0.00 0.03 0.00 0.00 46.19 43.64 2dd4 s LEU 123 CO 0.49 0.18 0.38 -1.83 0.23 0.00 0.00 176.35 175.80 2dd4 s GLU 124 N -2.42 0.52 0.20 1.70 -1.05 -1.06 -4.91 118.70 111.67 2dd4 s GLU 124 Ca 0.33 0.37 -0.32 0.00 -0.15 0.00 0.00 54.97 55.20 2dd4 s GLU 124 Cb -0.13 0.24 -0.14 0.00 -0.44 0.00 0.00 34.13 33.66 2dd4 s GLU 124 CO 0.26 -0.09 1.34 1.63 0.95 0.00 0.00 175.26 179.35 2dd4 n LYS 125 N 2.47 1.71 0.00 -4.83 4.76 -1.26 -0.78 118.16 120.23 2dd4 n LYS 125 Ca -0.15 0.61 0.10 0.00 -2.87 0.00 0.00 58.31 56.00 2dd4 n LYS 125 Cb 0.57 -2.23 0.60 0.00 -1.84 0.00 0.00 35.03 32.14 2dd4 n LYS 125 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03