#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dd5 n PRO 8 N 0.00 1.57 -5.19 1.97 -0.02 -1.26 -5.00 135.00 127.07 2dd5 n PRO 8 Ca 0.00 0.56 -0.32 0.00 -2.02 0.00 0.00 63.50 61.72 2dd5 n PRO 8 Cb 0.00 -2.13 -0.16 0.00 -0.02 0.00 0.00 33.50 31.19 2dd5 n PRO 8 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2dd5 s VAL 9 N -0.15 2.18 -0.15 -1.45 1.01 -1.26 -5.12 120.40 115.45 2dd5 s VAL 9 Ca 0.70 -1.00 -0.05 0.00 0.00 0.00 0.00 61.98 61.63 2dd5 s VAL 9 Cb -0.75 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 2dd5 s VAL 9 CO 0.51 0.56 0.00 0.26 0.00 0.00 0.00 175.10 176.44 2dd5 s TRP 10 N 0.03 3.12 -1.08 5.22 0.52 -1.26 -5.03 118.94 120.45 2dd5 s TRP 10 Ca -0.09 -0.10 -0.22 0.00 0.02 0.00 0.00 56.10 55.71 2dd5 s TRP 10 Cb -0.15 -1.97 0.01 0.00 -1.15 0.00 0.00 33.47 30.21 2dd5 s TRP 10 CO 0.06 0.10 1.70 0.34 0.02 0.00 0.00 176.95 179.16 2dd5 s ASP 11 N 0.18 6.08 0.00 2.95 -1.08 -1.26 -4.81 116.67 118.73 2dd5 s ASP 11 Ca 0.01 -1.54 0.20 0.00 -0.52 0.00 0.00 52.55 50.70 2dd5 s ASP 11 Cb -0.13 -2.57 0.91 0.00 -1.46 0.00 0.00 42.92 39.67 2dd5 s ASP 11 CO 0.02 -1.92 1.65 0.54 0.52 0.00 0.00 175.17 175.98 2dd5 n ARG 12 N 8.68 0.07 -0.00 4.34 1.74 -1.26 -3.45 116.66 126.78 2dd5 n ARG 12 Ca 0.40 0.14 0.09 0.00 -0.77 0.00 0.00 57.85 57.70 2dd5 n ARG 12 Cb 0.48 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.31 2dd5 n ARG 12 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2dd5 n THR 13 N -1.45 0.00 -0.08 0.55 -2.24 -1.26 -4.67 114.28 105.13 2dd5 n THR 13 Ca 0.06 -0.16 -0.06 0.00 -2.27 0.00 0.00 64.05 61.62 2dd5 n THR 13 Cb 0.22 0.77 -0.00 0.00 -2.10 0.00 0.00 70.33 69.22 2dd5 n THR 13 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2dd5 h HIS 14 N 0.00 -0.18 -0.10 4.78 -0.00 -1.98 -1.74 115.15 115.93 2dd5 h HIS 14 Ca 0.00 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.40 2dd5 h HIS 14 Cb 0.53 0.13 -0.00 0.00 -0.00 0.00 0.00 27.41 28.07 2dd5 h HIS 14 CO 0.00 -0.14 0.05 1.25 -0.00 0.00 0.00 177.93 179.09 2dd5 h HIS 15 N -0.01 0.13 -0.32 5.26 6.17 -1.83 -2.19 115.15 122.36 2dd5 h HIS 15 Ca 0.15 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.23 2dd5 h HIS 15 Cb 0.24 -0.04 -0.02 0.00 2.52 0.00 0.00 27.41 30.11 2dd5 h HIS 15 CO -0.30 0.16 0.21 0.00 0.71 0.00 0.00 177.93 178.71 2dd5 h ALA 16 N 0.96 0.41 0.00 5.26 0.00 -1.83 0.46 119.26 124.52 2dd5 h ALA 16 Ca 0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2dd5 h ALA 16 Cb 0.07 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2dd5 h ALA 16 CO -0.01 -0.12 -0.11 0.87 0.00 0.00 0.00 179.25 179.89 2dd5 h LYS 17 N 0.43 0.00 0.17 0.00 1.57 -1.26 -0.20 116.57 117.29 2dd5 h LYS 17 Ca 0.12 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.57 2dd5 h LYS 17 Cb -0.04 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.27 2dd5 h LYS 17 CO -0.03 0.11 -1.61 1.98 -0.57 0.00 0.00 179.45 179.33 2dd5 h MET 18 N 0.00 0.35 0.00 3.15 4.05 -0.85 -3.40 114.93 118.23 2dd5 h MET 18 Ca -0.00 -0.60 0.00 0.00 -0.28 0.00 0.00 59.70 58.82 2dd5 h MET 18 Cb 0.19 0.22 0.00 0.00 -0.80 0.00 0.00 31.60 31.22 2dd5 h MET 18 CO 0.01 1.25 -1.61 0.00 0.23 0.00 0.00 176.91 176.79 2dd5 n ALA 19 N -2.75 3.44 -1.66 0.39 0.00 0.10 -4.86 120.51 115.17 2dd5 n ALA 19 Ca -0.20 -0.53 -0.47 0.00 0.00 0.00 0.00 53.44 52.25 2dd5 n ALA 19 Cb 1.07 -0.73 -0.04 0.00 0.00 0.00 0.00 19.45 19.74 2dd5 n ALA 19 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2dd5 n THR 20 N -1.97 0.03 -0.88 0.00 -1.04 -0.10 -0.04 114.28 110.29 2dd5 n THR 20 Ca -0.01 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2dd5 n THR 20 Cb 0.47 -1.51 0.00 0.00 -1.82 0.00 0.00 70.33 67.47 2dd5 n THR 20 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dd5 n GLY 21 N 3.41 0.75 1.07 3.41 0.00 -1.26 -4.73 105.19 107.84 2dd5 n GLY 21 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2dd5 n GLY 21 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2dd5 n ILE 22 N -2.01 0.02 0.00 -0.61 2.08 0.26 -5.16 119.36 113.94 2dd5 n ILE 22 Ca 0.00 0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.32 2dd5 n ILE 22 Cb 0.00 -1.43 0.00 0.00 -0.75 0.00 0.00 39.64 37.46 2dd5 n ILE 22 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2dd5 n GLY 23 N 2.91 1.71 3.19 7.39 0.00 0.94 -4.67 105.19 116.66 2dd5 n GLY 23 Ca 0.00 -1.96 -0.31 0.00 0.00 0.00 0.00 46.02 43.75 2dd5 n GLY 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dd5 s ASP 24 N 0.00 2.88 0.00 1.61 -1.08 -1.26 -0.88 116.67 117.94 2dd5 s ASP 24 Ca 0.00 -0.51 0.07 0.00 -0.52 0.00 0.00 52.55 51.59 2dd5 s ASP 24 Cb 0.00 -1.27 0.29 0.00 -1.46 0.00 0.00 42.92 40.48 2dd5 s ASP 24 CO 0.00 0.15 1.21 -0.81 0.52 0.00 0.00 175.17 176.24 2dd5 n PRO 25 N 3.52 1.33 -0.24 4.34 -0.04 -1.26 -4.95 135.00 137.69 2dd5 n PRO 25 Ca -0.19 -0.51 0.18 0.00 -0.04 0.00 0.00 63.50 62.94 2dd5 n PRO 25 Cb 0.53 -1.15 0.50 0.00 -0.04 0.00 0.00 33.50 33.33 2dd5 n PRO 25 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2dd5 h GLN 26 N 0.85 0.42 0.00 0.54 7.50 -1.80 -0.49 115.11 122.14 2dd5 h GLN 26 Ca 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.12 2dd5 h GLN 26 Cb 0.19 -0.10 0.00 0.00 0.05 0.00 0.00 27.48 27.63 2dd5 h GLN 26 CO 0.00 0.28 0.00 0.00 -1.50 0.00 0.00 178.83 177.61 2dd5 n PHE 28 N -1.66 0.34 -1.64 0.00 3.72 -0.19 -5.00 117.46 113.02 2dd5 n PHE 28 Ca 0.01 -0.23 -0.46 0.00 -0.05 0.00 0.00 57.45 56.72 2dd5 n PHE 28 Cb 0.07 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.58 2dd5 n PHE 28 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2dd5 n LYS 29 N 1.07 1.78 -0.24 -1.08 4.81 -0.71 -1.75 118.16 122.04 2dd5 n LYS 29 Ca 0.14 0.64 0.00 0.00 -0.87 0.00 0.00 58.31 58.22 2dd5 n LYS 29 Cb 0.49 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 33.27 2dd5 n LYS 29 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2dd5 n GLY 30 N 2.26 2.24 0.05 3.14 0.00 -1.26 -4.88 105.19 106.74 2dd5 n GLY 30 Ca 0.13 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.29 2dd5 n GLY 30 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dd5 n MET 31 N -2.00 0.11 0.07 1.61 2.81 -0.72 -3.55 117.12 115.46 2dd5 n MET 31 Ca 0.00 0.09 0.12 0.00 -1.81 0.00 0.00 57.70 56.10 2dd5 n MET 31 Cb 0.00 -1.63 0.11 0.00 -0.71 0.00 0.00 33.22 30.99 2dd5 n MET 31 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2dd5 h ALA 32 N 2.79 0.54 0.00 3.04 0.00 -1.77 -3.42 119.26 120.44 2dd5 h ALA 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2dd5 h ALA 32 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2dd5 h ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2dd5 n GLY 33 N 1.29 -0.61 3.74 0.00 0.00 -1.23 -4.83 105.19 103.56 2dd5 n GLY 33 Ca 0.02 -1.18 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 2dd5 n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dd5 s LYS 34 N 0.00 4.48 0.27 1.61 2.20 -1.26 -5.00 119.74 122.05 2dd5 s LYS 34 Ca 0.00 1.89 -0.29 0.00 -0.36 0.00 0.00 55.97 57.20 2dd5 s LYS 34 Cb 0.00 -3.24 -0.09 0.00 -1.51 0.00 0.00 37.83 32.99 2dd5 s LYS 34 CO 0.00 -0.10 1.08 -1.54 -0.36 0.00 0.00 175.35 174.42 2dd5 s SER 35 N 0.15 7.32 0.33 1.43 1.04 -1.26 -4.94 113.70 117.77 2dd5 s SER 35 Ca 0.53 2.22 0.17 0.00 0.48 0.00 0.00 55.95 59.35 2dd5 s SER 35 Cb -0.33 -2.62 0.48 0.00 0.10 0.00 0.00 66.02 63.65 2dd5 s SER 35 CO 0.37 -0.10 1.64 0.50 0.98 0.00 0.00 173.24 176.63 2dd5 h LYS 36 N 3.85 0.00 -5.26 4.02 3.64 -1.97 -3.45 116.57 117.41 2dd5 h LYS 36 Ca -0.46 0.00 -0.42 0.00 -1.27 0.00 0.00 60.65 58.49 2dd5 h LYS 36 Cb 1.21 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.89 2dd5 h LYS 36 CO 0.67 0.45 -0.67 -0.06 -2.27 0.00 0.00 179.45 177.57 2dd5 s PHE 37 N -3.42 1.70 0.20 1.91 0.08 -1.26 -5.13 117.98 112.06 2dd5 s PHE 37 Ca 0.01 -0.82 0.03 0.00 0.12 0.00 0.00 56.93 56.26 2dd5 s PHE 37 Cb 0.10 -0.97 -0.05 0.00 -0.57 0.00 0.00 43.02 41.53 2dd5 s PHE 37 CO 0.71 0.10 0.00 -0.80 -0.10 0.00 0.00 175.22 175.13 2dd5 s ASN 38 N -3.35 1.47 0.19 1.36 -0.87 -1.26 -5.07 114.94 107.41 2dd5 s ASN 38 Ca 0.28 -1.20 -0.33 0.00 -1.57 0.00 0.00 52.86 50.04 2dd5 s ASN 38 Cb 0.05 0.07 -0.14 0.00 -0.02 0.00 0.00 41.25 41.21 2dd5 s ASN 38 CO 0.09 -0.55 1.40 0.52 -2.57 0.00 0.00 177.10 175.99 2dd5 n VAL 39 N -0.33 0.58 0.00 1.60 0.31 -1.26 -1.72 118.33 117.52 2dd5 n VAL 39 Ca -0.06 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 2dd5 n VAL 39 Cb 0.64 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.27 2dd5 n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2dd5 n GLY 40 N 2.49 3.23 3.77 2.92 0.00 0.87 -5.01 105.19 113.45 2dd5 n GLY 40 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 2dd5 n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dd5 s ASP 41 N -1.09 6.47 -0.15 1.61 1.01 -0.70 -4.71 116.67 119.11 2dd5 s ASP 41 Ca 0.00 2.38 -0.16 0.00 0.71 0.00 0.00 52.55 55.48 2dd5 s ASP 41 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 2dd5 s ASP 41 CO 0.00 -0.71 0.41 -0.13 0.21 0.00 0.00 175.17 174.94 2dd5 s ARG 42 N -2.31 4.29 0.07 8.23 1.81 -1.26 -1.43 118.95 128.35 2dd5 s ARG 42 Ca 0.57 0.30 0.03 0.00 -1.72 0.00 0.00 55.73 54.91 2dd5 s ARG 42 Cb -0.32 -3.45 -0.03 0.00 -0.45 0.00 0.00 34.95 30.70 2dd5 s ARG 42 CO 0.40 0.15 -0.09 0.14 -0.68 0.00 0.00 175.30 175.21 2dd5 s VAL 43 N 0.69 0.79 -0.07 3.52 -7.23 -0.04 -2.06 120.40 116.00 2dd5 s VAL 43 Ca 0.22 -1.41 0.02 0.00 -1.81 0.00 0.00 61.98 59.00 2dd5 s VAL 43 Cb -0.14 -1.07 -0.03 0.00 0.56 0.00 0.00 36.38 35.70 2dd5 s VAL 43 CO 0.08 -0.48 -0.11 -0.60 -0.31 0.00 0.00 175.10 173.68 2dd5 s ARG 44 N -2.30 2.74 -0.23 4.82 3.52 -0.46 -0.51 118.95 126.54 2dd5 s ARG 44 Ca -0.01 -0.64 -0.26 0.00 -0.13 0.00 0.00 55.73 54.69 2dd5 s ARG 44 Cb -0.06 -2.51 -0.00 0.00 -1.56 0.00 0.00 34.95 30.83 2dd5 s ARG 44 CO -0.00 0.57 0.91 0.42 -0.81 0.00 0.00 175.30 176.40 2dd5 s ILE 45 N -0.58 4.78 0.33 4.11 1.09 -0.42 -2.45 121.20 128.06 2dd5 s ILE 45 Ca 0.08 1.76 -0.28 0.00 -1.10 0.00 0.00 60.65 61.12 2dd5 s ILE 45 Cb -0.12 -4.20 -0.09 0.00 -1.06 0.00 0.00 42.46 37.00 2dd5 s ILE 45 CO 0.02 -0.10 1.14 -0.54 -0.10 0.00 0.00 174.94 175.35 2dd5 s LYS 46 N 2.91 4.41 -1.28 2.79 1.02 0.94 -0.46 119.74 130.06 2dd5 s LYS 46 Ca 0.39 1.84 -0.08 0.00 0.02 0.00 0.00 55.97 58.14 2dd5 s LYS 46 Cb -0.15 -2.97 0.17 0.00 -0.52 0.00 0.00 37.83 34.35 2dd5 s LYS 46 CO 0.07 -0.01 1.95 -3.47 -0.92 0.00 0.00 175.35 172.97 2dd5 n ASP 47 N 0.72 5.70 -4.77 2.83 2.03 -1.26 -4.75 116.55 117.05 2dd5 n ASP 47 Ca 0.01 -3.14 -0.34 0.00 0.52 0.00 0.00 54.79 51.84 2dd5 n ASP 47 Cb 0.45 -1.44 0.04 0.00 -0.72 0.00 0.00 41.12 39.45 2dd5 n ASP 47 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2dd5 s LEU 48 N -0.68 3.52 0.38 -2.67 1.43 -1.26 -4.96 118.68 114.44 2dd5 s LEU 48 Ca 0.42 2.12 -0.28 0.00 -1.03 0.00 0.00 54.13 55.36 2dd5 s LEU 48 Cb 0.11 -4.57 -0.11 0.00 0.03 0.00 0.00 46.19 41.65 2dd5 s LEU 48 CO -0.01 -1.55 1.48 -2.84 0.23 0.00 0.00 176.35 173.66 2dd5 s PRO 49 N -3.76 4.09 -0.17 1.29 0.02 -1.26 -4.93 135.00 130.28 2dd5 s PRO 49 Ca 0.70 2.56 0.14 0.00 0.02 0.00 0.00 61.00 64.42 2dd5 s PRO 49 Cb -0.23 -2.95 0.37 0.00 0.02 0.00 0.00 34.50 31.70 2dd5 s PRO 49 CO 0.36 -0.54 1.19 -0.40 -0.33 0.00 0.00 177.00 177.28 2dd5 n ASP 50 N 0.43 1.91 -4.61 2.53 5.68 -1.26 -5.02 116.55 116.21 2dd5 n ASP 50 Ca 0.01 -3.54 -0.50 0.00 -0.50 0.00 0.00 54.79 50.27 2dd5 n ASP 50 Cb 0.39 -0.48 -0.05 0.00 -1.14 0.00 0.00 41.12 39.84 2dd5 n ASP 50 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 2dd5 n LEU 51 N -1.19 2.00 0.00 -2.12 7.94 -1.26 -2.29 117.00 120.07 2dd5 n LEU 51 Ca 0.17 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.19 2dd5 n LEU 51 Cb 0.68 -1.26 0.00 0.00 0.53 0.00 0.00 43.42 43.37 2dd5 n LEU 51 CO -0.02 -0.93 0.00 0.49 -1.11 0.00 0.00 177.39 175.82 2dd5 n PHE 52 N 2.36 0.00 -3.60 1.96 3.72 -1.26 -4.85 117.46 115.80 2dd5 n PHE 52 Ca 0.17 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.47 2dd5 n PHE 52 Cb 0.23 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.72 2dd5 n PHE 52 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 2dd5 s TYR 53 N 0.00 -0.37 -0.16 1.38 5.04 -0.97 -5.16 117.35 117.11 2dd5 s TYR 53 Ca 0.00 0.72 -0.30 0.00 -2.44 0.00 0.00 57.07 55.04 2dd5 s TYR 53 Cb 0.00 0.43 0.13 0.00 0.35 0.00 0.00 41.96 42.88 2dd5 s TYR 53 CO 0.00 -0.29 1.06 -0.08 -1.34 0.00 0.00 175.55 174.90 2dd5 s THR 54 N -0.73 0.00 -0.10 4.34 -1.32 -1.26 -4.78 115.64 111.79 2dd5 s THR 54 Ca 0.00 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.63 2dd5 s THR 54 Cb -0.02 -1.00 0.22 0.00 -1.51 0.00 0.00 72.50 70.20 2dd5 s THR 54 CO -0.01 0.00 1.11 0.54 -2.21 0.00 0.00 174.62 174.04 2dd5 n ARG 55 N 0.43 1.17 -3.63 7.08 1.74 -1.26 -4.91 116.66 117.28 2dd5 n ARG 55 Ca -0.07 -2.24 -0.39 0.00 -0.77 0.00 0.00 57.85 54.38 2dd5 n ARG 55 Cb 0.59 -1.30 -0.09 0.00 -1.02 0.00 0.00 32.46 30.63 2dd5 n ARG 55 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2dd5 s THR 56 N -2.28 3.90 0.25 0.55 2.01 -1.26 -5.01 115.64 113.81 2dd5 s THR 56 Ca 0.25 -1.97 -0.28 0.00 0.31 0.00 0.00 61.69 59.99 2dd5 s THR 56 Cb 0.22 -3.60 -0.15 0.00 0.01 0.00 0.00 72.50 68.98 2dd5 s THR 56 CO 0.02 -0.76 0.88 0.23 -0.69 0.00 0.00 174.62 174.30 2dd5 n MET 57 N 4.69 0.92 -0.22 4.92 2.81 -1.26 -4.87 117.12 124.11 2dd5 n MET 57 Ca -0.04 0.32 0.08 0.00 -1.81 0.00 0.00 57.70 56.25 2dd5 n MET 57 Cb 0.41 -1.59 0.35 0.00 -0.71 0.00 0.00 33.22 31.68 2dd5 n MET 57 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 2dd5 h THR 58 N 1.75 0.97 0.00 2.03 2.02 -1.99 -1.72 112.91 115.97 2dd5 h THR 58 Ca -0.36 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.56 2dd5 h THR 58 Cb 1.37 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 2dd5 h THR 58 CO 0.60 0.14 0.00 0.00 0.37 0.00 0.00 175.52 176.63 2dd5 n TYR 59 N -4.50 0.51 0.03 3.16 0.18 -1.26 -1.97 117.16 113.32 2dd5 n TYR 59 Ca 0.13 0.25 0.11 0.00 1.88 0.00 0.00 57.90 60.27 2dd5 n TYR 59 Cb 0.30 -0.90 -0.10 0.00 -0.38 0.00 0.00 39.34 38.25 2dd5 n TYR 59 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 2dd5 n THR 60 N -2.01 0.27 -1.64 -3.48 -2.24 -0.65 -4.89 114.28 99.63 2dd5 n THR 60 Ca -0.00 -0.53 -0.48 0.00 -2.27 0.00 0.00 64.05 60.78 2dd5 n THR 60 Cb 0.07 -0.15 -0.05 0.00 -2.10 0.00 0.00 70.33 68.11 2dd5 n THR 60 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2dd5 n ARG 61 N -2.44 1.83 0.00 -0.78 5.12 -0.83 -1.37 116.66 118.19 2dd5 n ARG 61 Ca -0.03 0.66 0.00 0.00 -1.93 0.00 0.00 57.85 56.55 2dd5 n ARG 61 Cb 0.57 -2.38 0.00 0.00 -1.16 0.00 0.00 32.46 29.49 2dd5 n ARG 61 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dd5 n GLY 62 N 3.07 2.95 3.87 -0.13 0.00 0.39 -4.98 105.19 110.35 2dd5 n GLY 62 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 2dd5 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dd5 s ALA 63 N -2.92 3.21 -0.08 4.61 0.00 -0.47 -4.72 121.76 121.39 2dd5 s ALA 63 Ca 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 51.96 51.87 2dd5 s ALA 63 Cb 0.00 -2.90 -0.03 0.00 0.00 0.00 0.00 23.12 20.19 2dd5 s ALA 63 CO 0.00 -0.31 -0.11 0.99 0.00 0.00 0.00 175.76 176.33 2dd5 s THR 64 N -2.71 3.31 0.28 0.00 2.01 -1.26 -1.30 115.64 115.97 2dd5 s THR 64 Ca 0.54 -0.61 0.04 0.00 0.31 0.00 0.00 61.69 61.97 2dd5 s THR 64 Cb -0.10 -2.34 -0.01 0.00 0.01 0.00 0.00 72.50 70.05 2dd5 s THR 64 CO 0.39 0.57 0.29 0.61 -0.69 0.00 0.00 174.62 175.80 2dd5 n GLY 65 N 2.59 2.84 3.34 4.40 0.00 0.33 -4.68 105.19 114.01 2dd5 n GLY 65 Ca -0.18 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 43.75 2dd5 n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dd5 s THR 66 N -3.01 2.77 -0.05 2.61 2.01 -0.63 -0.86 115.64 118.47 2dd5 s THR 66 Ca 0.31 -0.77 -0.30 0.00 0.31 0.00 0.00 61.69 61.24 2dd5 s THR 66 Cb 0.01 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 2dd5 s THR 66 CO 0.22 0.54 1.25 -0.63 -0.69 0.00 0.00 174.62 175.30 2dd5 s ILE 67 N 0.24 4.14 -0.77 1.82 1.01 -0.52 -0.86 121.20 126.26 2dd5 s ILE 67 Ca -0.11 1.48 0.09 0.00 0.00 0.00 0.00 60.65 62.11 2dd5 s ILE 67 Cb -0.16 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 2dd5 s ILE 67 CO 0.06 -0.01 0.56 1.33 0.00 0.00 0.00 174.94 176.88 2dd5 n VAL 68 N 4.68 0.00 -3.63 2.92 0.24 -0.26 -0.09 118.33 122.19 2dd5 n VAL 68 Ca 0.12 -0.39 -0.06 0.00 -2.04 0.00 0.00 64.34 61.97 2dd5 n VAL 68 Cb 0.46 1.09 -0.06 0.00 -1.47 0.00 0.00 33.84 33.86 2dd5 n VAL 68 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2dd5 s ARG 69 N -1.37 0.26 -0.56 7.34 3.52 -1.22 -4.90 118.95 122.01 2dd5 s ARG 69 Ca 0.07 0.19 -0.16 0.00 -0.13 0.00 0.00 55.73 55.70 2dd5 s ARG 69 Cb 0.07 0.12 0.13 0.00 -1.56 0.00 0.00 34.95 33.72 2dd5 s ARG 69 CO 0.25 -0.05 0.55 -0.51 -0.81 0.00 0.00 175.30 174.73 2dd5 s LEU 70 N -0.38 6.07 0.09 -0.88 1.02 -1.26 -0.85 118.68 122.48 2dd5 s LEU 70 Ca 0.05 -1.77 -0.17 0.00 0.02 0.00 0.00 54.13 52.27 2dd5 s LEU 70 Cb -0.03 -2.23 -0.09 0.00 0.02 0.00 0.00 46.19 43.86 2dd5 s LEU 70 CO -0.08 -0.90 1.45 -0.37 0.02 0.00 0.00 176.35 176.47 2dd5 h VAL 71 N 5.85 1.30 -1.95 -1.59 -1.51 -1.85 -3.49 116.25 113.01 2dd5 h VAL 71 Ca -0.28 -1.24 0.35 0.00 -1.23 0.00 0.00 66.70 64.30 2dd5 h VAL 71 Cb 1.09 1.53 -0.07 0.00 -2.13 0.00 0.00 31.29 31.72 2dd5 h VAL 71 CO 1.04 0.39 0.87 0.00 -1.23 0.00 0.00 177.57 178.64 2dd5 n TYR 72 N -4.44 -0.15 -4.75 5.19 0.18 -1.26 -5.05 117.16 106.89 2dd5 n TYR 72 Ca -0.04 -0.52 -0.32 0.00 1.88 0.00 0.00 57.90 58.90 2dd5 n TYR 72 Cb 0.37 0.23 -0.13 0.00 -0.38 0.00 0.00 39.34 39.43 2dd5 n TYR 72 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 2dd5 s GLU 73 N -2.01 2.27 -0.15 -3.48 2.02 -1.26 -1.55 118.70 114.54 2dd5 s GLU 73 Ca 0.28 -0.86 -0.33 0.00 0.02 0.00 0.00 54.97 54.09 2dd5 s GLU 73 Cb -0.00 -2.27 0.13 0.00 0.10 0.00 0.00 34.13 32.08 2dd5 s GLU 73 CO -0.02 0.57 1.12 0.45 0.02 0.00 0.00 175.26 177.40 2dd5 s SER 74 N -1.17 -0.21 0.63 -0.19 0.15 -0.69 -4.59 113.70 107.63 2dd5 s SER 74 Ca 0.14 0.04 -0.17 0.00 0.70 0.00 0.00 55.95 56.66 2dd5 s SER 74 Cb -0.11 0.21 -0.02 0.00 -1.71 0.00 0.00 66.02 64.40 2dd5 s SER 74 CO 0.04 -0.33 1.14 -2.84 1.20 0.00 0.00 173.24 172.45 2dd5 s PRO 75 N -2.39 2.90 0.50 5.44 0.02 -1.26 -1.46 135.00 138.75 2dd5 s PRO 75 Ca 0.07 1.56 -0.22 0.00 0.02 0.00 0.00 61.00 62.43 2dd5 s PRO 75 Cb -0.01 -1.95 -0.06 0.00 0.02 0.00 0.00 34.50 32.50 2dd5 s PRO 75 CO -0.05 -1.20 1.18 0.00 -0.33 0.00 0.00 177.00 176.60 2dd5 s ALA 76 N -2.03 2.86 0.45 -1.55 0.00 -1.26 -4.79 121.76 115.44 2dd5 s ALA 76 Ca 0.71 0.96 0.12 0.00 0.00 0.00 0.00 51.96 53.74 2dd5 s ALA 76 Cb -0.24 -3.40 1.02 0.00 0.00 0.00 0.00 23.12 20.50 2dd5 s ALA 76 CO 0.37 -0.79 2.06 0.00 0.00 0.00 0.00 175.76 177.39 2dd5 h ALA 77 N 1.71 1.89 -0.11 0.00 0.00 -1.98 0.72 119.26 121.49 2dd5 h ALA 77 Ca -0.50 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.43 2dd5 h ALA 77 Cb 1.26 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2dd5 h ALA 77 CO 0.59 0.05 0.10 0.93 0.00 0.00 0.00 179.25 180.92 2dd5 h GLU 78 N 0.37 0.00 0.03 0.00 3.07 -1.90 -0.31 114.58 115.83 2dd5 h GLU 78 Ca 0.16 0.00 -0.39 0.00 -0.50 0.00 0.00 59.36 58.63 2dd5 h GLU 78 Cb 0.16 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.02 2dd5 h GLU 78 CO -0.04 0.00 -2.24 -0.25 -1.40 0.00 0.00 179.01 175.08 2dd5 n ASP 79 N -4.18 1.99 -0.33 1.42 8.00 0.06 -4.43 116.55 119.10 2dd5 n ASP 79 Ca -0.00 0.13 0.01 0.00 0.71 0.00 0.00 54.79 55.64 2dd5 n ASP 79 Cb 0.21 -0.68 0.19 0.00 -0.02 0.00 0.00 41.12 40.81 2dd5 n ASP 79 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2dd5 h GLU 80 N -0.37 1.13 0.00 -1.24 4.81 -0.90 0.80 114.58 118.82 2dd5 h GLU 80 Ca -0.55 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.61 2dd5 h GLU 80 Cb 1.78 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.91 2dd5 h GLU 80 CO -0.15 0.75 0.00 0.00 -0.73 0.00 0.00 179.01 178.87 2dd5 n ALA 81 N -2.39 1.39 -1.09 2.92 0.00 -0.14 -1.74 120.51 119.46 2dd5 n ALA 81 Ca 0.12 0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.70 2dd5 n ALA 81 Cb 0.10 -1.23 0.13 0.00 0.00 0.00 0.00 19.45 18.46 2dd5 n ALA 81 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2dd5 n PHE 82 N -1.82 0.00 -1.54 0.00 3.72 -0.69 -4.98 117.46 112.15 2dd5 n PHE 82 Ca 0.01 -0.96 -0.08 0.00 -0.05 0.00 0.00 57.45 56.38 2dd5 n PHE 82 Cb 0.12 -0.15 -0.02 0.00 -0.94 0.00 0.00 39.48 38.49 2dd5 n PHE 82 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dd5 n GLY 83 N -1.38 0.67 3.14 1.37 0.00 -0.71 -5.01 105.19 103.28 2dd5 n GLY 83 Ca 0.15 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 2dd5 n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dd5 s ASN 84 N -2.83 5.40 -0.05 1.61 0.02 0.19 -4.91 114.94 114.37 2dd5 s ASN 84 Ca 0.00 -2.21 0.11 0.00 -1.02 0.00 0.00 52.86 49.74 2dd5 s ASN 84 Cb 0.00 -1.89 0.32 0.00 0.02 0.00 0.00 41.25 39.70 2dd5 s ASN 84 CO 0.00 -0.54 1.26 -0.62 0.02 0.00 0.00 177.10 177.22 2dd5 n GLU 85 N 4.40 2.82 0.25 -0.60 1.02 -1.26 -3.22 120.64 124.04 2dd5 n GLU 85 Ca -0.01 -2.21 0.10 0.00 -0.02 0.00 0.00 57.16 55.02 2dd5 n GLU 85 Cb 0.41 -1.40 0.63 0.00 -0.02 0.00 0.00 31.44 31.06 2dd5 n GLU 85 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2dd5 h GLU 86 N 1.57 0.00 -5.78 3.49 9.09 -1.97 -3.43 114.58 117.56 2dd5 h GLU 86 Ca 0.00 0.00 -0.67 0.00 0.05 0.00 0.00 59.36 58.74 2dd5 h GLU 86 Cb 0.90 0.00 -0.21 0.00 -1.65 0.00 0.00 28.75 27.79 2dd5 h GLU 86 CO 0.06 0.16 -0.70 -0.80 0.05 0.00 0.00 179.01 177.78 2dd5 s ASN 87 N -6.41 4.60 -0.02 3.06 0.01 -1.26 -5.11 114.94 109.81 2dd5 s ASN 87 Ca -0.03 -0.10 0.07 0.00 -0.71 0.00 0.00 52.86 52.09 2dd5 s ASN 87 Cb 0.14 -1.41 -0.02 0.00 0.41 0.00 0.00 41.25 40.37 2dd5 s ASN 87 CO 0.62 0.28 -0.22 -0.69 -1.51 0.00 0.00 177.10 175.58 2dd5 s VAL 88 N -0.29 1.72 0.15 1.60 1.01 -1.26 -4.05 120.40 119.27 2dd5 s VAL 88 Ca 0.04 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 2dd5 s VAL 88 Cb -0.13 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 2dd5 s VAL 88 CO 0.02 0.49 0.07 -1.83 0.00 0.00 0.00 175.10 173.85 2dd5 s GLU 89 N -0.51 0.99 0.34 2.72 -1.05 -0.53 -4.22 118.70 116.43 2dd5 s GLU 89 Ca 0.08 -1.48 -0.26 0.00 -0.15 0.00 0.00 54.97 53.16 2dd5 s GLU 89 Cb -0.08 0.22 -0.09 0.00 -0.44 0.00 0.00 34.13 33.73 2dd5 s GLU 89 CO -0.01 -0.28 1.03 -1.58 0.95 0.00 0.00 175.26 175.38 2dd5 s TRP 90 N -4.05 3.48 -0.03 4.83 0.52 -1.26 -1.71 118.94 120.72 2dd5 s TRP 90 Ca 0.27 1.70 0.03 0.00 0.02 0.00 0.00 56.10 58.12 2dd5 s TRP 90 Cb 0.07 -3.12 -0.03 0.00 -1.15 0.00 0.00 33.47 29.25 2dd5 s TRP 90 CO 0.04 -0.37 -0.08 -0.06 0.02 0.00 0.00 176.95 176.50 2dd5 s PHE 91 N -1.49 2.86 0.02 -1.98 0.40 -0.60 -0.81 117.98 116.38 2dd5 s PHE 91 Ca 0.52 -0.04 0.06 0.00 -0.60 0.00 0.00 56.93 56.87 2dd5 s PHE 91 Cb -0.24 -1.64 -0.02 0.00 0.51 0.00 0.00 43.02 41.63 2dd5 s PHE 91 CO 0.30 0.33 -0.19 0.71 0.70 0.00 0.00 175.22 177.07 2dd5 s TYR 92 N -0.89 1.66 -0.20 0.36 2.02 -0.62 -2.52 117.35 117.16 2dd5 s TYR 92 Ca 0.15 -0.35 -0.16 0.00 -0.37 0.00 0.00 57.07 56.34 2dd5 s TYR 92 Cb -0.11 -1.01 -0.04 0.00 -0.40 0.00 0.00 41.96 40.40 2dd5 s TYR 92 CO 0.04 0.04 0.40 0.45 -1.57 0.00 0.00 175.55 174.92 2dd5 s SER 93 N -0.93 6.45 -0.04 2.29 0.15 -0.03 -1.09 113.70 120.50 2dd5 s SER 93 Ca 0.06 0.53 0.07 0.00 0.70 0.00 0.00 55.95 57.31 2dd5 s SER 93 Cb -0.08 -2.23 -0.01 0.00 -1.71 0.00 0.00 66.02 61.98 2dd5 s SER 93 CO 0.01 -0.08 -0.24 -0.63 1.20 0.00 0.00 173.24 173.50 2dd5 s ILE 94 N 1.29 1.94 -0.21 6.45 1.01 0.13 -1.10 121.20 130.71 2dd5 s ILE 94 Ca 0.19 -1.03 -0.06 0.00 0.00 0.00 0.00 60.65 59.76 2dd5 s ILE 94 Cb -0.15 -1.63 -0.03 0.00 0.01 0.00 0.00 42.46 40.66 2dd5 s ILE 94 CO 0.08 0.55 0.03 -0.69 0.00 0.00 0.00 174.94 174.91 2dd5 s VAL 95 N -0.32 4.23 0.04 2.92 1.01 -0.04 -2.03 120.40 126.21 2dd5 s VAL 95 Ca 0.02 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.82 2dd5 s VAL 95 Cb -0.12 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 2dd5 s VAL 95 CO 0.02 0.42 -0.04 -0.36 0.00 0.00 0.00 175.10 175.13 2dd5 s PHE 96 N 0.97 2.93 0.08 5.22 0.08 0.47 -1.61 117.98 126.13 2dd5 s PHE 96 Ca 0.03 -0.03 -0.27 0.00 0.12 0.00 0.00 56.93 56.78 2dd5 s PHE 96 Cb -0.14 -1.58 -0.06 0.00 -0.57 0.00 0.00 43.02 40.67 2dd5 s PHE 96 CO 0.02 0.43 0.83 0.00 -0.10 0.00 0.00 175.22 176.39 2dd5 s ALA 97 N -1.12 3.34 0.35 5.36 0.00 -1.26 -0.90 121.76 127.52 2dd5 s ALA 97 Ca 0.20 0.38 0.07 0.00 0.00 0.00 0.00 51.96 52.61 2dd5 s ALA 97 Cb -0.11 -3.08 0.75 0.00 0.00 0.00 0.00 23.12 20.68 2dd5 s ALA 97 CO 0.12 0.07 1.90 1.96 0.00 0.00 0.00 175.76 179.81 2dd5 h GLN 98 N 5.45 0.74 0.00 0.00 1.08 -1.56 -1.04 115.11 119.78 2dd5 h GLN 98 Ca -0.44 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 56.72 2dd5 h GLN 98 Cb 1.21 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 28.47 2dd5 h GLN 98 CO 0.71 0.49 -0.00 1.57 -0.95 0.00 0.00 178.83 180.64 2dd5 h LYS 99 N 0.76 0.00 0.00 1.46 2.10 -1.81 -0.84 116.57 118.24 2dd5 h LYS 99 Ca 0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.05 2dd5 h LYS 99 Cb 0.50 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 2dd5 h LYS 99 CO -0.16 0.00 -0.05 -0.25 -2.00 0.00 0.00 179.45 176.99 2dd5 n ASP 100 N -4.31 0.39 -0.13 7.07 8.00 -0.40 -3.94 116.55 123.23 2dd5 n ASP 100 Ca -0.03 0.48 -0.24 0.00 0.71 0.00 0.00 54.79 55.71 2dd5 n ASP 100 Cb 0.09 -0.56 -0.11 0.00 -0.02 0.00 0.00 41.12 40.52 2dd5 n ASP 100 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2dd5 n LEU 101 N -1.84 2.44 -4.14 0.64 4.77 -0.43 -4.89 117.00 113.55 2dd5 n LEU 101 Ca 0.06 0.12 -0.33 0.00 -0.03 0.00 0.00 56.01 55.83 2dd5 n LEU 101 Cb 0.38 -0.88 -0.15 0.00 -2.33 0.00 0.00 43.42 40.44 2dd5 n LEU 101 CO 0.29 0.74 -0.45 0.26 -1.33 0.00 0.00 177.39 176.91 2dd5 s TRP 102 N -2.51 3.08 0.43 -1.77 0.52 -0.55 -5.01 118.94 113.13 2dd5 s TRP 102 Ca -0.36 -1.83 0.19 0.00 0.02 0.00 0.00 56.10 54.12 2dd5 s TRP 102 Cb 0.11 -1.99 1.13 0.00 -1.15 0.00 0.00 33.47 31.57 2dd5 s TRP 102 CO 0.56 -0.80 1.84 -1.35 0.02 0.00 0.00 176.95 177.23 2dd5 h PRO 103 N 7.92 0.35 -0.00 4.98 0.11 -1.87 -1.74 132.00 141.75 2dd5 h PRO 103 Ca -0.31 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2dd5 h PRO 103 Cb 1.09 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2dd5 h PRO 103 CO 0.55 0.23 -0.12 -0.85 -0.21 0.00 0.00 178.00 177.61 2dd5 n GLU 104 N -4.50 0.68 -1.66 1.05 0.00 -1.26 -4.92 120.64 110.03 2dd5 n GLU 104 Ca 0.20 -0.24 -0.46 0.00 0.00 0.00 0.00 57.16 56.66 2dd5 n GLU 104 Cb 0.76 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.66 2dd5 n GLU 104 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 2dd5 n TYR 105 N -0.95 2.12 -2.34 -1.84 9.36 -0.65 -4.90 117.16 117.95 2dd5 n TYR 105 Ca 0.14 0.37 -0.41 0.00 3.32 0.00 0.00 57.90 61.33 2dd5 n TYR 105 Cb 0.28 -2.49 -0.03 0.00 -0.63 0.00 0.00 39.34 36.47 2dd5 n TYR 105 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2dd5 s SER 106 N 0.65 7.08 0.59 2.98 0.15 -1.26 -4.92 113.70 118.96 2dd5 s SER 106 Ca 0.76 2.38 0.37 0.00 0.70 0.00 0.00 55.95 60.16 2dd5 s SER 106 Cb -0.71 -2.63 1.73 0.00 -1.71 0.00 0.00 66.02 62.71 2dd5 s SER 106 CO 0.43 -0.32 2.12 0.44 1.20 0.00 0.00 173.24 177.10 2dd5 h ASP 107 N 4.14 0.00 -0.32 5.45 3.32 -1.99 -1.97 116.42 125.04 2dd5 h ASP 107 Ca -0.47 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.60 2dd5 h ASP 107 Cb 1.22 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.75 2dd5 h ASP 107 CO 0.69 0.00 0.22 0.74 -1.72 0.00 0.00 179.24 179.17 2dd5 h THR 108 N 0.00 1.05 -1.97 0.35 2.02 -2.01 -2.22 112.91 110.13 2dd5 h THR 108 Ca 0.00 -0.13 -0.69 0.00 0.77 0.00 0.00 66.41 66.36 2dd5 h THR 108 Cb 0.34 0.63 -0.34 0.00 -1.74 0.00 0.00 68.15 67.03 2dd5 h THR 108 CO 0.00 0.07 0.19 0.49 0.37 0.00 0.00 175.52 176.64 2dd5 n PHE 109 N -4.49 3.29 0.30 3.16 3.72 -0.74 -4.84 117.46 117.87 2dd5 n PHE 109 Ca 0.02 -2.95 0.18 0.00 -0.05 0.00 0.00 57.45 54.66 2dd5 n PHE 109 Cb 0.10 -0.72 0.87 0.00 -0.94 0.00 0.00 39.48 38.79 2dd5 n PHE 109 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2dd5 h ALA 110 N 3.12 1.00 -0.02 4.37 0.00 -1.50 -3.05 119.26 123.18 2dd5 h ALA 110 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2dd5 h ALA 110 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2dd5 h ALA 110 CO 1.09 0.00 -0.16 0.09 0.00 0.00 0.00 179.25 180.26 2dd5 n ASN 111 N -2.92 1.85 -4.77 0.00 3.02 -1.26 -4.92 115.26 106.26 2dd5 n ASN 111 Ca -0.01 -1.47 -0.40 0.00 -0.03 0.00 0.00 54.58 52.67 2dd5 n ASN 111 Cb 0.18 0.13 -0.01 0.00 -0.61 0.00 0.00 39.78 39.47 2dd5 n ASN 111 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2dd5 s ASP 112 N -2.23 6.46 0.35 6.41 1.01 -1.15 -4.96 116.67 122.56 2dd5 s ASP 112 Ca 0.28 2.65 0.05 0.00 0.71 0.00 0.00 52.55 56.24 2dd5 s ASP 112 Cb 0.20 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.46 2dd5 s ASP 112 CO 0.42 -0.75 0.19 0.42 0.21 0.00 0.00 175.17 175.66 2dd5 s THR 113 N -1.23 0.31 -0.07 -1.27 -4.23 -1.26 -1.48 115.64 106.40 2dd5 s THR 113 Ca 0.54 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.02 2dd5 s THR 113 Cb -0.38 -2.45 0.04 0.00 1.34 0.00 0.00 72.50 71.05 2dd5 s THR 113 CO 0.50 0.00 0.17 -0.22 -0.54 0.00 0.00 174.62 174.52 2dd5 s LEU 114 N -3.45 0.57 -0.05 4.79 0.20 -0.08 -4.78 118.68 115.87 2dd5 s LEU 114 Ca 0.33 0.34 0.05 0.00 0.69 0.00 0.00 54.13 55.55 2dd5 s LEU 114 Cb 0.03 0.42 -0.02 0.00 -0.43 0.00 0.00 46.19 46.19 2dd5 s LEU 114 CO 0.20 -0.16 -0.21 -0.70 -0.29 0.00 0.00 176.35 175.18 2dd5 s GLU 115 N 1.33 2.53 0.24 1.98 2.12 -1.26 -0.39 118.70 125.25 2dd5 s GLU 115 Ca -0.08 -0.84 -0.18 0.00 0.36 0.00 0.00 54.97 54.23 2dd5 s GLU 115 Cb -0.11 -2.24 0.02 0.00 0.26 0.00 0.00 34.13 32.06 2dd5 s GLU 115 CO -0.06 0.46 0.60 -0.08 -0.54 0.00 0.00 175.26 175.64 2dd5 s THR 116 N -0.35 0.01 -0.06 -1.70 -1.32 -0.86 -4.98 115.64 106.38 2dd5 s THR 116 Ca 0.02 -0.98 -0.01 0.00 -1.21 0.00 0.00 61.69 59.51 2dd5 s THR 116 Cb -0.12 -1.88 -0.03 0.00 -1.51 0.00 0.00 72.50 68.95 2dd5 s THR 116 CO 0.02 -0.03 0.01 -1.61 -2.21 0.00 0.00 174.62 170.80 2dd5 s GLU 117 N -3.92 2.94 -0.01 7.08 2.02 -1.26 -0.70 118.70 124.85 2dd5 s GLU 117 Ca 0.13 -0.46 0.00 0.00 0.02 0.00 0.00 54.97 54.66 2dd5 s GLU 117 Cb -0.03 -2.77 0.02 0.00 0.10 0.00 0.00 34.13 31.45 2dd5 s GLU 117 CO 0.04 0.68 0.01 0.42 0.02 0.00 0.00 175.26 176.43 2dd5 s ILE 118 N -0.95 0.01 0.59 -1.63 1.01 -0.25 -4.94 121.20 115.04 2dd5 s ILE 118 Ca 0.15 0.10 -0.17 0.00 0.00 0.00 0.00 60.65 60.73 2dd5 s ILE 118 Cb -0.11 -0.08 -0.03 0.00 0.01 0.00 0.00 42.46 42.24 2dd5 s ILE 118 CO 0.05 0.06 1.11 -2.16 0.00 0.00 0.00 174.94 174.00 2dd5 s PRO 119 N 0.60 3.14 0.39 2.79 0.04 -1.26 -1.58 135.00 139.11 2dd5 s PRO 119 Ca -0.05 1.46 0.19 0.00 0.04 0.00 0.00 61.00 62.64 2dd5 s PRO 119 Cb -0.08 -1.99 1.12 0.00 0.04 0.00 0.00 34.50 33.60 2dd5 s PRO 119 CO -0.02 -0.99 1.73 1.49 0.04 0.00 0.00 177.00 179.26 2dd5 h GLU 120 N 0.64 0.36 -0.16 4.56 4.81 -1.32 -2.16 114.58 121.30 2dd5 h GLU 120 Ca -0.48 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 58.77 2dd5 h GLU 120 Cb 1.25 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 2dd5 h GLU 120 CO 0.56 0.24 0.24 0.07 -0.73 0.00 0.00 179.01 179.38 2dd5 h ARG 121 N 0.37 0.00 -0.01 1.92 0.11 -1.91 -0.74 114.38 114.11 2dd5 h ARG 121 Ca 0.65 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.73 2dd5 h ARG 121 Cb 1.65 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.73 2dd5 h ARG 121 CO -0.37 0.00 -0.22 0.66 0.10 0.00 0.00 179.97 180.14 2dd5 n TYR 122 N -3.54 0.00 -3.96 4.08 4.01 -0.81 -4.92 117.16 112.02 2dd5 n TYR 122 Ca 0.01 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.43 2dd5 n TYR 122 Cb 0.35 -0.07 -0.05 0.00 -0.31 0.00 0.00 39.34 39.26 2dd5 n TYR 122 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2dd5 s LEU 123 N -2.36 4.22 -0.03 7.72 1.43 -0.28 -0.04 118.68 129.34 2dd5 s LEU 123 Ca 0.27 0.26 -0.11 0.00 -1.03 0.00 0.00 54.13 53.52 2dd5 s LEU 123 Cb 0.19 -2.57 0.02 0.00 0.03 0.00 0.00 46.19 43.86 2dd5 s LEU 123 CO 0.47 0.25 0.23 -1.83 0.23 0.00 0.00 176.35 175.70 2dd5 s GLU 124 N -2.00 0.51 0.24 1.70 -1.05 -1.02 -4.92 118.70 112.15 2dd5 s GLU 124 Ca 0.27 -0.13 -0.31 0.00 -0.15 0.00 0.00 54.97 54.66 2dd5 s GLU 124 Cb -0.12 0.22 -0.14 0.00 -0.44 0.00 0.00 34.13 33.65 2dd5 s GLU 124 CO 0.19 -0.12 1.28 1.63 0.95 0.00 0.00 175.26 179.19 2dd5 n LYS 125 N 1.76 1.74 0.00 -4.83 4.76 -1.26 -1.35 118.16 118.98 2dd5 n LYS 125 Ca -0.20 0.62 0.16 0.00 -2.87 0.00 0.00 58.31 56.02 2dd5 n LYS 125 Cb 0.56 -2.18 0.89 0.00 -1.84 0.00 0.00 35.03 32.46 2dd5 n LYS 125 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03