#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dd4 s VAL 9 N 0.00 2.55 -0.17 0.52 1.01 -1.26 -5.12 120.40 117.93 2dd4 s VAL 9 Ca 0.00 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.03 2dd4 s VAL 9 Cb 0.00 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 2dd4 s VAL 9 CO 0.00 0.57 0.05 0.26 0.00 0.00 0.00 175.10 175.97 2dd4 s TRP 10 N -0.18 3.23 -0.49 5.22 0.52 -1.26 -5.06 118.94 120.92 2dd4 s TRP 10 Ca -0.02 0.06 -0.29 0.00 0.02 0.00 0.00 56.10 55.87 2dd4 s TRP 10 Cb -0.14 -2.03 0.02 0.00 -1.15 0.00 0.00 33.47 30.18 2dd4 s TRP 10 CO 0.03 0.19 1.25 0.34 0.02 0.00 0.00 176.95 178.78 2dd4 s ASP 11 N 0.19 6.46 0.00 2.95 -1.08 -1.26 -4.87 116.67 119.06 2dd4 s ASP 11 Ca 0.03 0.47 0.25 0.00 -0.52 0.00 0.00 52.55 52.79 2dd4 s ASP 11 Cb -0.12 -2.55 0.77 0.00 -1.46 0.00 0.00 42.92 39.55 2dd4 s ASP 11 CO 0.01 -1.40 1.58 0.54 0.52 0.00 0.00 175.17 176.42 2dd4 n ARG 12 N 8.11 1.88 -0.00 4.34 1.74 -1.26 -4.13 116.66 127.34 2dd4 n ARG 12 Ca 0.13 -1.29 0.05 0.00 -0.77 0.00 0.00 57.85 55.97 2dd4 n ARG 12 Cb 0.49 -1.46 -0.08 0.00 -1.02 0.00 0.00 32.46 30.39 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 0.54 0.00 0.03 0.55 -2.24 -1.26 -4.76 114.28 107.14 2dd4 n THR 13 Ca 0.17 -0.25 -0.15 0.00 -2.27 0.00 0.00 64.05 61.55 2dd4 n THR 13 Cb 0.42 0.52 -0.10 0.00 -2.10 0.00 0.00 70.33 69.07 2dd4 n THR 13 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2dd4 h HIS 14 N 0.00 -1.54 -0.21 4.78 6.17 -1.99 -1.39 115.15 120.96 2dd4 h HIS 14 Ca 0.00 0.05 0.05 0.00 0.71 0.00 0.00 60.37 61.18 2dd4 h HIS 14 Cb 0.41 0.68 -0.05 0.00 2.52 0.00 0.00 27.41 30.98 2dd4 h HIS 14 CO 0.00 -0.55 -0.09 1.25 0.71 0.00 0.00 177.93 179.26 2dd4 h HIS 15 N -0.62 -0.20 -0.49 5.26 6.17 -1.86 -1.92 115.15 121.49 2dd4 h HIS 15 Ca 0.02 0.02 0.04 0.00 0.71 0.00 0.00 60.37 61.16 2dd4 h HIS 15 Cb 0.68 0.12 -0.04 0.00 2.52 0.00 0.00 27.41 30.70 2dd4 h HIS 15 CO -0.54 -0.14 0.26 0.00 0.71 0.00 0.00 177.93 178.22 2dd4 h ALA 16 N 1.14 0.62 -0.46 5.26 0.00 -1.82 0.07 119.26 124.06 2dd4 h ALA 16 Ca 0.11 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2dd4 h ALA 16 Cb 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2dd4 h ALA 16 CO -0.25 -0.07 0.24 0.87 0.00 0.00 0.00 179.25 180.03 2dd4 h LYS 17 N 0.51 0.64 0.19 0.00 1.57 -0.95 -0.91 116.57 117.62 2dd4 h LYS 17 Ca 0.21 -0.07 -0.31 0.00 -1.87 0.00 0.00 60.65 58.62 2dd4 h LYS 17 Cb 0.09 -0.13 0.02 0.00 0.08 0.00 0.00 32.23 32.29 2dd4 h LYS 17 CO -0.13 0.48 -1.36 1.98 -0.57 0.00 0.00 179.45 179.86 2dd4 h MET 18 N 0.64 0.43 0.00 3.15 4.05 -0.74 -3.39 114.93 119.07 2dd4 h MET 18 Ca 0.16 -0.71 0.00 0.00 -0.28 0.00 0.00 59.70 58.87 2dd4 h MET 18 Cb 0.04 0.26 0.00 0.00 -0.80 0.00 0.00 31.60 31.11 2dd4 h MET 18 CO -0.03 1.34 -1.79 0.00 0.23 0.00 0.00 176.91 176.66 2dd4 n ALA 19 N -2.63 2.75 -1.67 0.39 0.00 -0.05 -4.85 120.51 114.46 2dd4 n ALA 19 Ca -0.13 -0.46 -0.45 0.00 0.00 0.00 0.00 53.44 52.40 2dd4 n ALA 19 Cb 1.06 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 19.65 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 -2.35 0.63 -0.85 0.00 -1.04 -0.36 -0.12 114.28 110.21 2dd4 n THR 20 Ca -0.03 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 2dd4 n THR 20 Cb 0.57 -1.49 0.00 0.00 -1.82 0.00 0.00 70.33 67.58 2dd4 n THR 20 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dd4 n GLY 21 N 2.56 0.69 0.97 3.41 0.00 -1.26 -4.71 105.19 106.86 2dd4 n GLY 21 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 0.00 -0.61 5.41 -0.09 -5.15 119.36 116.91 2dd4 n ILE 22 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2dd4 n ILE 22 Cb 0.00 -1.03 0.00 0.00 -0.71 0.00 0.00 39.64 37.90 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 2.69 1.53 3.22 7.39 0.00 0.83 -4.64 105.19 116.21 2dd4 n GLY 23 Ca 0.00 -1.94 -0.32 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.18 3.05 0.00 1.61 -1.08 -1.26 -0.44 116.67 118.36 2dd4 s ASP 24 Ca 0.00 -0.55 0.12 0.00 -0.52 0.00 0.00 52.55 51.61 2dd4 s ASP 24 Cb 0.00 -1.34 0.59 0.00 -1.46 0.00 0.00 42.92 40.71 2dd4 s ASP 24 CO 0.00 0.16 1.40 -0.81 0.52 0.00 0.00 175.17 176.45 2dd4 n PRO 25 N 3.48 1.27 -0.34 4.34 -0.04 -1.26 -4.95 135.00 137.49 2dd4 n PRO 25 Ca -0.19 -0.41 0.24 0.00 -0.04 0.00 0.00 63.50 63.10 2dd4 n PRO 25 Cb 0.53 -1.22 0.50 0.00 -0.04 0.00 0.00 33.50 33.27 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 0.75 0.37 0.00 0.54 7.50 -1.77 0.11 115.11 122.61 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 0.17 -0.08 0.00 0.00 0.05 0.00 0.00 27.48 27.62 2dd4 h GLN 26 CO 0.00 0.24 0.00 0.00 -1.50 0.00 0.00 178.83 177.57 2dd4 n PHE 28 N -1.43 0.09 -1.66 0.00 3.72 0.38 -5.01 117.46 113.55 2dd4 n PHE 28 Ca 0.02 -0.07 -0.45 0.00 -0.05 0.00 0.00 57.45 56.90 2dd4 n PHE 28 Cb 0.06 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.57 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 0.83 1.88 -0.09 -1.08 4.81 -0.61 -1.83 118.16 122.07 2dd4 n LYS 29 Ca 0.09 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 58.20 2dd4 n LYS 29 Cb 0.38 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 33.15 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 1.95 2.73 0.07 3.14 0.00 -1.26 -4.88 105.19 106.93 2dd4 n GLY 30 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 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 0.18 0.00 1.61 2.81 -0.76 -3.59 117.12 115.37 2dd4 n MET 31 Ca 0.00 0.13 0.12 0.00 -1.81 0.00 0.00 57.70 56.14 2dd4 n MET 31 Cb 0.00 -1.69 0.29 0.00 -0.71 0.00 0.00 33.22 31.11 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 -1.70 3.43 -0.37 3.04 0.00 -1.26 -4.58 120.51 119.07 2dd4 n ALA 32 Ca 0.06 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2dd4 n ALA 32 Cb 0.40 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 1.49 -0.13 3.74 0.00 0.00 -1.24 -4.76 105.19 104.30 2dd4 n GLY 33 Ca 0.06 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 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 4.50 0.45 1.61 2.20 -1.26 -4.99 119.74 122.25 2dd4 s LYS 34 Ca 0.00 1.90 -0.22 0.00 -0.36 0.00 0.00 55.97 57.29 2dd4 s LYS 34 Cb 0.00 -3.22 -0.08 0.00 -1.51 0.00 0.00 37.83 33.02 2dd4 s LYS 34 CO 0.00 -0.06 1.10 -1.54 -0.36 0.00 0.00 175.35 174.49 2dd4 s SER 35 N -0.05 6.33 0.23 1.43 1.04 -1.26 -4.94 113.70 116.48 2dd4 s SER 35 Ca 0.52 2.14 0.12 0.00 0.48 0.00 0.00 55.95 59.21 2dd4 s SER 35 Cb -0.33 -2.59 -0.03 0.00 0.10 0.00 0.00 66.02 63.17 2dd4 s SER 35 CO 0.38 -0.79 1.39 0.50 0.98 0.00 0.00 173.24 175.70 2dd4 h LYS 36 N 2.01 0.00 -5.37 4.02 3.64 -1.96 -3.46 116.57 115.44 2dd4 h LYS 36 Ca -0.49 0.00 -0.47 0.00 -1.27 0.00 0.00 60.65 58.42 2dd4 h LYS 36 Cb 1.23 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.91 2dd4 h LYS 36 CO 0.60 0.67 -0.65 -0.06 -2.27 0.00 0.00 179.45 177.74 2dd4 s PHE 37 N -2.88 1.91 0.11 1.91 0.08 -1.26 -5.13 117.98 112.71 2dd4 s PHE 37 Ca 0.03 -0.80 0.00 0.00 0.12 0.00 0.00 56.93 56.28 2dd4 s PHE 37 Cb 0.08 -1.15 -0.04 0.00 -0.57 0.00 0.00 43.02 41.35 2dd4 s PHE 37 CO 0.77 0.17 -0.01 -0.80 -0.10 0.00 0.00 175.22 175.24 2dd4 s ASN 38 N -3.44 0.75 0.17 1.36 -0.87 -1.26 -5.07 114.94 106.58 2dd4 s ASN 38 Ca 0.31 -1.09 -0.33 0.00 -1.57 0.00 0.00 52.86 50.19 2dd4 s ASN 38 Cb 0.06 0.18 -0.16 0.00 -0.02 0.00 0.00 41.25 41.31 2dd4 s ASN 38 CO 0.12 -0.59 1.15 0.52 -2.57 0.00 0.00 177.10 175.74 2dd4 n VAL 39 N -0.05 0.91 0.00 1.60 0.31 -1.26 -1.26 118.33 118.59 2dd4 n VAL 39 Ca -0.10 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 2dd4 n VAL 39 Cb 0.62 -0.83 0.00 0.00 -0.91 0.00 0.00 33.84 32.72 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 1.99 3.37 3.77 2.92 0.00 0.50 -5.01 105.19 112.73 2dd4 n GLY 40 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2dd4 n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dd4 s ASP 41 N -0.69 6.59 -0.20 1.61 1.01 -0.39 -4.69 116.67 119.91 2dd4 s ASP 41 Ca 0.00 2.81 -0.17 0.00 0.71 0.00 0.00 52.55 55.90 2dd4 s ASP 41 Cb 0.00 -2.65 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 2dd4 s ASP 41 CO 0.00 -0.70 0.47 -0.13 0.21 0.00 0.00 175.17 175.02 2dd4 s ARG 42 N -1.45 4.18 0.08 8.23 1.81 -1.26 -1.29 118.95 129.25 2dd4 s ARG 42 Ca 0.54 0.32 0.05 0.00 -1.72 0.00 0.00 55.73 54.92 2dd4 s ARG 42 Cb -0.43 -3.55 -0.03 0.00 -0.45 0.00 0.00 34.95 30.49 2dd4 s ARG 42 CO 0.53 -0.11 -0.14 0.14 -0.68 0.00 0.00 175.30 175.05 2dd4 s VAL 43 N 1.51 1.11 -0.02 3.52 -7.23 -0.17 -1.71 120.40 117.41 2dd4 s VAL 43 Ca 0.22 -1.36 0.01 0.00 -1.81 0.00 0.00 61.98 59.04 2dd4 s VAL 43 Cb -0.15 -1.13 -0.03 0.00 0.56 0.00 0.00 36.38 35.63 2dd4 s VAL 43 CO 0.09 -0.27 -0.03 -0.60 -0.31 0.00 0.00 175.10 173.98 2dd4 s ARG 44 N -1.90 2.74 -0.28 4.82 3.52 -0.04 -0.44 118.95 127.38 2dd4 s ARG 44 Ca -0.01 -0.61 -0.20 0.00 -0.13 0.00 0.00 55.73 54.79 2dd4 s ARG 44 Cb -0.09 -2.63 -0.02 0.00 -1.56 0.00 0.00 34.95 30.66 2dd4 s ARG 44 CO 0.02 0.63 0.62 0.42 -0.81 0.00 0.00 175.30 176.18 2dd4 s ILE 45 N -1.00 4.97 0.23 4.11 1.01 -0.39 -2.37 121.20 127.78 2dd4 s ILE 45 Ca 0.17 0.97 -0.30 0.00 0.00 0.00 0.00 60.65 61.50 2dd4 s ILE 45 Cb -0.11 -3.95 -0.09 0.00 0.01 0.00 0.00 42.46 38.32 2dd4 s ILE 45 CO 0.07 -0.04 1.18 -0.54 0.00 0.00 0.00 174.94 175.61 2dd4 s LYS 46 N 2.53 4.53 -1.37 2.79 1.02 0.49 -0.17 119.74 129.55 2dd4 s LYS 46 Ca 0.25 1.89 -0.11 0.00 0.02 0.00 0.00 55.97 58.02 2dd4 s LYS 46 Cb -0.15 -3.20 0.10 0.00 -0.52 0.00 0.00 37.83 34.06 2dd4 s LYS 46 CO 0.10 0.00 2.09 -3.47 -0.92 0.00 0.00 175.35 173.16 2dd4 n ASP 47 N 1.85 4.81 -4.77 2.83 2.03 -1.26 -4.77 116.55 117.27 2dd4 n ASP 47 Ca 0.02 -2.98 -0.34 0.00 0.52 0.00 0.00 54.79 52.01 2dd4 n ASP 47 Cb 0.44 -1.55 0.02 0.00 -0.72 0.00 0.00 41.12 39.31 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 0.80 3.59 0.26 -2.67 1.43 -1.26 -4.94 118.68 115.88 2dd4 s LEU 48 Ca 0.44 2.10 -0.30 0.00 -1.03 0.00 0.00 54.13 55.34 2dd4 s LEU 48 Cb 0.12 -4.57 -0.14 0.00 0.03 0.00 0.00 46.19 41.64 2dd4 s LEU 48 CO -0.04 -1.40 1.23 -2.65 0.23 0.00 0.00 176.35 173.72 2dd4 n PRO 49 N -1.80 1.70 -0.28 1.29 -0.02 -1.26 -4.88 135.00 129.74 2dd4 n PRO 49 Ca 0.11 0.60 0.07 0.00 -2.02 0.00 0.00 63.50 62.26 2dd4 n PRO 49 Cb 0.51 -2.14 0.21 0.00 -0.02 0.00 0.00 33.50 32.07 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 1.63 3.37 -4.62 2.55 5.75 -1.26 -4.98 116.55 118.98 2dd4 n ASP 50 Ca 0.10 -2.20 -0.54 0.00 -0.01 0.00 0.00 54.79 52.15 2dd4 n ASP 50 Cb 0.31 -0.34 -0.06 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 0.55 1.76 0.00 -2.12 7.94 -1.26 -2.68 117.00 121.19 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 0.56 -1.16 0.00 0.00 0.53 0.00 0.00 43.42 43.35 2dd4 n LEU 51 CO 0.12 -0.93 0.00 0.49 -1.11 0.00 0.00 177.39 175.96 2dd4 n PHE 52 N 3.20 0.00 -3.59 1.96 3.72 -1.26 -4.82 117.46 116.67 2dd4 n PHE 52 Ca 0.21 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.50 2dd4 n PHE 52 Cb 0.17 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.65 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 -0.40 -0.18 1.38 5.04 -1.09 -5.17 117.35 116.93 2dd4 s TYR 53 Ca 0.00 0.77 -0.30 0.00 -2.44 0.00 0.00 57.07 55.10 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 -0.31 1.08 -0.08 -1.34 0.00 0.00 175.55 174.90 2dd4 s THR 54 N -0.75 0.00 -0.09 4.34 -1.32 -1.26 -4.80 115.64 111.76 2dd4 s THR 54 Ca -0.01 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.60 2dd4 s THR 54 Cb -0.02 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 70.17 2dd4 s THR 54 CO -0.00 0.00 1.09 0.54 -2.21 0.00 0.00 174.62 174.04 2dd4 n ARG 55 N 0.56 1.08 -3.62 7.08 1.74 -1.26 -4.89 116.66 117.35 2dd4 n ARG 55 Ca -0.07 -2.10 -0.39 0.00 -0.77 0.00 0.00 57.85 54.51 2dd4 n ARG 55 Cb 0.58 -1.22 -0.08 0.00 -1.02 0.00 0.00 32.46 30.72 2dd4 n ARG 55 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2dd4 s THR 56 N -2.03 4.08 0.29 0.55 2.01 -1.26 -4.99 115.64 114.29 2dd4 s THR 56 Ca 0.22 -2.39 -0.26 0.00 0.31 0.00 0.00 61.69 59.57 2dd4 s THR 56 Cb 0.19 -3.66 -0.15 0.00 0.01 0.00 0.00 72.50 68.89 2dd4 s THR 56 CO 0.02 -0.84 0.57 0.23 -0.69 0.00 0.00 174.62 173.91 2dd4 n MET 57 N 4.16 0.41 -0.12 4.92 2.81 -1.26 -4.87 117.12 123.18 2dd4 n MET 57 Ca 0.02 0.15 0.05 0.00 -1.81 0.00 0.00 57.70 56.11 2dd4 n MET 57 Cb 0.41 -1.29 0.37 0.00 -0.71 0.00 0.00 33.22 32.00 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 1.07 1.07 0.00 2.03 2.02 -1.99 -2.06 112.91 115.05 2dd4 h THR 58 Ca -0.34 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.60 2dd4 h THR 58 Cb 1.41 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 2dd4 h THR 58 CO 0.55 0.13 0.00 0.00 0.37 0.00 0.00 175.52 176.57 2dd4 n TYR 59 N -4.47 0.32 0.02 3.16 0.18 -1.26 -1.98 117.16 113.12 2dd4 n TYR 59 Ca 0.08 0.15 0.09 0.00 1.88 0.00 0.00 57.90 60.11 2dd4 n TYR 59 Cb 0.15 -0.75 -0.12 0.00 -0.38 0.00 0.00 39.34 38.24 2dd4 n TYR 59 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 2dd4 n THR 60 N -1.82 0.29 -1.64 -3.48 -2.24 -0.77 -4.91 114.28 99.71 2dd4 n THR 60 Ca 0.00 -0.54 -0.49 0.00 -2.27 0.00 0.00 64.05 60.75 2dd4 n THR 60 Cb 0.06 -0.15 -0.05 0.00 -2.10 0.00 0.00 70.33 68.09 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 -2.42 1.69 -0.54 -0.78 5.12 -0.84 -1.41 116.66 117.48 2dd4 n ARG 61 Ca -0.05 0.61 0.00 0.00 -1.93 0.00 0.00 57.85 56.48 2dd4 n ARG 61 Cb 0.61 -2.33 0.00 0.00 -1.16 0.00 0.00 32.46 29.58 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 3.22 1.91 3.90 -0.13 0.00 0.76 -4.98 105.19 109.87 2dd4 n GLY 62 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.53 3.43 -0.09 4.61 0.00 -0.50 -4.73 121.76 120.96 2dd4 s ALA 63 Ca 0.00 -0.41 0.01 0.00 0.00 0.00 0.00 51.96 51.56 2dd4 s ALA 63 Cb 0.00 -2.56 -0.02 0.00 0.00 0.00 0.00 23.12 20.54 2dd4 s ALA 63 CO 0.00 -0.09 -0.11 0.99 0.00 0.00 0.00 175.76 176.54 2dd4 s THR 64 N -2.46 3.28 0.27 0.00 2.01 -1.26 -1.26 115.64 116.21 2dd4 s THR 64 Ca 0.48 -0.62 0.06 0.00 0.31 0.00 0.00 61.69 61.92 2dd4 s THR 64 Cb -0.10 -2.34 -0.02 0.00 0.01 0.00 0.00 72.50 70.05 2dd4 s THR 64 CO 0.36 0.57 0.22 0.61 -0.69 0.00 0.00 174.62 175.69 2dd4 n GLY 65 N 2.74 3.15 3.30 4.40 0.00 0.42 -4.71 105.19 114.49 2dd4 n GLY 65 Ca -0.18 -1.85 -0.33 0.00 0.00 0.00 0.00 46.02 43.66 2dd4 n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dd4 s THR 66 N -3.07 2.83 0.04 2.61 2.01 -0.41 -1.00 115.64 118.65 2dd4 s THR 66 Ca 0.31 -0.71 -0.30 0.00 0.31 0.00 0.00 61.69 61.29 2dd4 s THR 66 Cb 0.02 -2.21 -0.06 0.00 0.01 0.00 0.00 72.50 70.26 2dd4 s THR 66 CO 0.22 0.51 1.38 -0.63 -0.69 0.00 0.00 174.62 175.41 2dd4 s ILE 67 N 0.77 3.63 -0.36 1.82 1.01 -0.41 -1.14 121.20 126.52 2dd4 s ILE 67 Ca -0.05 1.08 0.05 0.00 0.00 0.00 0.00 60.65 61.73 2dd4 s ILE 67 Cb -0.15 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 2dd4 s ILE 67 CO 0.01 0.03 0.33 1.33 0.00 0.00 0.00 174.94 176.64 2dd4 n VAL 68 N 4.40 0.00 -3.64 2.92 0.24 -0.35 -0.37 118.33 121.53 2dd4 n VAL 68 Ca 0.12 -0.41 -0.06 0.00 -2.04 0.00 0.00 64.34 61.95 2dd4 n VAL 68 Cb 0.44 1.03 -0.07 0.00 -1.47 0.00 0.00 33.84 33.77 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 -1.22 0.31 -0.56 7.34 3.52 -1.22 -4.90 118.95 122.22 2dd4 s ARG 69 Ca 0.03 0.32 -0.17 0.00 -0.13 0.00 0.00 55.73 55.78 2dd4 s ARG 69 Cb 0.04 0.15 0.11 0.00 -1.56 0.00 0.00 34.95 33.69 2dd4 s ARG 69 CO 0.17 -0.05 0.60 -0.51 -0.81 0.00 0.00 175.30 174.71 2dd4 s LEU 70 N -0.02 5.76 0.12 -0.88 1.02 -1.26 -0.51 118.68 122.91 2dd4 s LEU 70 Ca 0.05 -1.59 -0.13 0.00 0.02 0.00 0.00 54.13 52.48 2dd4 s LEU 70 Cb -0.04 -2.26 -0.06 0.00 0.02 0.00 0.00 46.19 43.85 2dd4 s LEU 70 CO -0.09 -0.98 1.46 -0.37 0.02 0.00 0.00 176.35 176.38 2dd4 h VAL 71 N 5.90 1.28 -2.00 -1.59 -1.51 -1.80 -3.49 116.25 113.04 2dd4 h VAL 71 Ca -0.30 -1.48 0.41 0.00 -1.23 0.00 0.00 66.70 64.10 2dd4 h VAL 71 Cb 1.09 1.44 -0.08 0.00 -2.13 0.00 0.00 31.29 31.62 2dd4 h VAL 71 CO 1.07 0.49 1.01 0.00 -1.23 0.00 0.00 177.57 178.90 2dd4 n TYR 72 N -4.17 -0.03 -5.08 5.19 0.18 -1.25 -5.05 117.16 106.95 2dd4 n TYR 72 Ca -0.03 -0.51 -0.32 0.00 1.88 0.00 0.00 57.90 58.93 2dd4 n TYR 72 Cb 0.50 0.22 -0.15 0.00 -0.38 0.00 0.00 39.34 39.53 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 2.25 -0.09 -3.48 2.02 -1.26 -1.40 118.70 114.74 2dd4 s GLU 73 Ca 0.32 -0.85 -0.31 0.00 0.02 0.00 0.00 54.97 54.15 2dd4 s GLU 73 Cb -0.00 -2.18 0.12 0.00 0.10 0.00 0.00 34.13 32.16 2dd4 s GLU 73 CO -0.03 0.58 1.02 0.45 0.02 0.00 0.00 175.26 177.31 2dd4 s SER 74 N -0.74 -0.27 0.51 -0.19 0.15 -0.77 -4.52 113.70 107.87 2dd4 s SER 74 Ca 0.11 0.01 -0.22 0.00 0.70 0.00 0.00 55.95 56.56 2dd4 s SER 74 Cb -0.10 0.28 -0.06 0.00 -1.71 0.00 0.00 66.02 64.43 2dd4 s SER 74 CO 0.00 -0.45 1.22 -2.84 1.20 0.00 0.00 173.24 172.37 2dd4 s PRO 75 N -2.76 3.44 0.51 5.44 0.02 -1.26 -1.58 135.00 138.81 2dd4 s PRO 75 Ca 0.07 1.89 -0.22 0.00 0.02 0.00 0.00 61.00 62.75 2dd4 s PRO 75 Cb -0.01 -2.25 -0.06 0.00 0.02 0.00 0.00 34.50 32.20 2dd4 s PRO 75 CO -0.07 -0.85 1.29 0.00 -0.33 0.00 0.00 177.00 177.04 2dd4 s ALA 76 N -1.51 2.89 0.40 -1.55 0.00 -1.26 -4.73 121.76 116.00 2dd4 s ALA 76 Ca 0.69 1.19 0.09 0.00 0.00 0.00 0.00 51.96 53.92 2dd4 s ALA 76 Cb -0.31 -3.50 0.86 0.00 0.00 0.00 0.00 23.12 20.17 2dd4 s ALA 76 CO 0.37 -1.09 2.00 0.00 0.00 0.00 0.00 175.76 177.03 2dd4 h ALA 77 N 1.72 1.79 -0.25 0.00 0.00 -1.98 0.13 119.26 120.67 2dd4 h ALA 77 Ca -0.50 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.46 2dd4 h ALA 77 Cb 1.28 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2dd4 h ALA 77 CO 0.58 0.12 0.23 0.93 0.00 0.00 0.00 179.25 181.11 2dd4 h GLU 78 N 0.59 0.00 0.00 0.00 3.07 -1.90 -0.65 114.58 115.70 2dd4 h GLU 78 Ca 0.25 0.00 -0.40 0.00 -0.50 0.00 0.00 59.36 58.71 2dd4 h GLU 78 Cb 0.24 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.08 2dd4 h GLU 78 CO -0.07 0.00 -2.47 -0.25 -1.40 0.00 0.00 179.01 174.82 2dd4 n ASP 79 N -4.03 1.98 -0.14 1.42 8.00 0.00 -4.49 116.55 119.29 2dd4 n ASP 79 Ca 0.03 -0.04 0.02 0.00 0.71 0.00 0.00 54.79 55.52 2dd4 n ASP 79 Cb 0.38 -0.51 0.32 0.00 -0.02 0.00 0.00 41.12 41.29 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 -0.19 0.81 0.00 -1.24 4.81 -0.56 0.01 114.58 118.22 2dd4 h GLU 80 Ca -0.60 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.58 2dd4 h GLU 80 Cb 1.85 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 31.05 2dd4 h GLU 80 CO -0.15 0.54 0.00 0.00 -0.73 0.00 0.00 179.01 178.67 2dd4 n ALA 81 N -2.44 1.71 -0.83 2.92 0.00 -0.28 -2.14 120.51 119.45 2dd4 n ALA 81 Ca 0.07 -0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.56 2dd4 n ALA 81 Cb 0.06 -1.28 0.15 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.64 0.25 -1.10 0.00 3.72 -0.81 -4.98 117.46 112.90 2dd4 n PHE 82 Ca 0.03 -0.86 -0.04 0.00 -0.05 0.00 0.00 57.45 56.54 2dd4 n PHE 82 Cb 0.19 -0.17 -0.02 0.00 -0.94 0.00 0.00 39.48 38.55 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 -0.95 0.66 3.28 1.37 0.00 -0.91 -5.01 105.19 103.63 2dd4 n GLY 83 Ca 0.15 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.70 5.68 -0.03 1.61 0.02 -0.07 -4.91 114.94 114.54 2dd4 s ASN 84 Ca 0.00 -1.46 0.05 0.00 -1.02 0.00 0.00 52.86 50.43 2dd4 s ASN 84 Cb 0.00 -2.00 0.10 0.00 0.02 0.00 0.00 41.25 39.37 2dd4 s ASN 84 CO 0.00 -0.54 1.06 -0.62 0.02 0.00 0.00 177.10 177.03 2dd4 n GLU 85 N 4.94 2.64 0.24 -0.60 1.02 -1.26 -3.07 120.64 124.55 2dd4 n GLU 85 Ca -0.10 -1.80 0.08 0.00 -0.02 0.00 0.00 57.16 55.32 2dd4 n GLU 85 Cb 0.43 -1.15 0.59 0.00 -0.02 0.00 0.00 31.44 31.29 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 0.22 0.00 -5.77 3.49 9.09 -1.97 -3.42 114.58 116.22 2dd4 h GLU 86 Ca 0.00 0.00 -0.67 0.00 0.05 0.00 0.00 59.36 58.74 2dd4 h GLU 86 Cb 0.65 0.00 -0.21 0.00 -1.65 0.00 0.00 28.75 27.54 2dd4 h GLU 86 CO 0.01 0.18 -0.69 -0.80 0.05 0.00 0.00 179.01 177.76 2dd4 s ASN 87 N -6.58 4.63 -0.03 3.06 0.01 -1.26 -5.11 114.94 109.66 2dd4 s ASN 87 Ca -0.03 -0.09 0.05 0.00 -0.71 0.00 0.00 52.86 52.09 2dd4 s ASN 87 Cb 0.14 -1.42 -0.01 0.00 0.41 0.00 0.00 41.25 40.37 2dd4 s ASN 87 CO 0.65 0.28 -0.20 -0.69 -1.51 0.00 0.00 177.10 175.62 2dd4 s VAL 88 N -0.30 1.62 0.21 1.60 1.01 -1.26 -4.09 120.40 119.18 2dd4 s VAL 88 Ca 0.04 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.19 2dd4 s VAL 88 Cb -0.13 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 2dd4 s VAL 88 CO 0.02 0.46 0.05 -1.83 0.00 0.00 0.00 175.10 173.80 2dd4 s GLU 89 N -0.22 1.23 0.29 2.72 -1.05 -0.62 -4.12 118.70 116.94 2dd4 s GLU 89 Ca 0.01 -1.63 -0.28 0.00 -0.15 0.00 0.00 54.97 52.92 2dd4 s GLU 89 Cb -0.10 -0.23 -0.09 0.00 -0.44 0.00 0.00 34.13 33.26 2dd4 s GLU 89 CO 0.01 -0.21 1.04 -1.58 0.95 0.00 0.00 175.26 175.47 2dd4 s TRP 90 N -3.72 3.64 -0.10 4.83 0.52 -1.26 -1.84 118.94 121.01 2dd4 s TRP 90 Ca 0.30 1.75 -0.00 0.00 0.02 0.00 0.00 56.10 58.17 2dd4 s TRP 90 Cb 0.07 -3.16 -0.03 0.00 -1.15 0.00 0.00 33.47 29.21 2dd4 s TRP 90 CO 0.08 -0.25 -0.07 -0.06 0.02 0.00 0.00 176.95 176.67 2dd4 s PHE 91 N -1.28 2.94 0.06 -1.98 0.40 -0.50 -0.68 117.98 116.93 2dd4 s PHE 91 Ca 0.46 -0.14 0.09 0.00 -0.60 0.00 0.00 56.93 56.75 2dd4 s PHE 91 Cb -0.28 -1.78 -0.03 0.00 0.51 0.00 0.00 43.02 41.44 2dd4 s PHE 91 CO 0.35 0.17 -0.26 0.71 0.70 0.00 0.00 175.22 176.89 2dd4 s TYR 92 N -0.39 2.31 -0.25 0.36 2.02 -0.73 -2.27 117.35 118.40 2dd4 s TYR 92 Ca 0.06 -0.41 -0.13 0.00 -0.37 0.00 0.00 57.07 56.22 2dd4 s TYR 92 Cb -0.12 -1.37 -0.04 0.00 -0.40 0.00 0.00 41.96 40.03 2dd4 s TYR 92 CO 0.02 0.15 0.27 0.45 -1.57 0.00 0.00 175.55 174.87 2dd4 s SER 93 N -1.34 6.18 -0.06 2.29 0.15 0.34 -1.10 113.70 120.16 2dd4 s SER 93 Ca 0.12 0.20 0.05 0.00 0.70 0.00 0.00 55.95 57.02 2dd4 s SER 93 Cb -0.10 -2.16 -0.01 0.00 -1.71 0.00 0.00 66.02 62.04 2dd4 s SER 93 CO 0.03 -0.05 -0.22 -0.63 1.20 0.00 0.00 173.24 173.56 2dd4 s ILE 94 N 1.55 2.33 -0.22 6.45 1.01 0.40 -1.22 121.20 131.50 2dd4 s ILE 94 Ca 0.11 -0.97 -0.08 0.00 0.00 0.00 0.00 60.65 59.72 2dd4 s ILE 94 Cb -0.15 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 2dd4 s ILE 94 CO 0.08 0.57 0.08 -0.69 0.00 0.00 0.00 174.94 174.98 2dd4 s VAL 95 N -0.26 4.64 0.03 2.92 1.01 -0.29 -1.81 120.40 126.64 2dd4 s VAL 95 Ca -0.00 -0.07 0.05 0.00 0.00 0.00 0.00 61.98 61.95 2dd4 s VAL 95 Cb -0.13 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 2dd4 s VAL 95 CO 0.03 0.39 -0.09 -0.36 0.00 0.00 0.00 175.10 175.07 2dd4 s PHE 96 N 1.03 2.81 0.09 5.22 0.08 0.21 -1.29 117.98 126.13 2dd4 s PHE 96 Ca 0.04 -0.10 -0.29 0.00 0.12 0.00 0.00 56.93 56.70 2dd4 s PHE 96 Cb -0.14 -1.55 -0.06 0.00 -0.57 0.00 0.00 43.02 40.71 2dd4 s PHE 96 CO 0.03 0.37 0.93 0.00 -0.10 0.00 0.00 175.22 176.45 2dd4 s ALA 97 N -1.04 3.26 0.36 5.36 0.00 -1.26 -0.91 121.76 127.53 2dd4 s ALA 97 Ca 0.18 0.52 0.08 0.00 0.00 0.00 0.00 51.96 52.74 2dd4 s ALA 97 Cb -0.11 -3.23 0.80 0.00 0.00 0.00 0.00 23.12 20.58 2dd4 s ALA 97 CO 0.09 -0.02 1.91 1.96 0.00 0.00 0.00 175.76 179.69 2dd4 h GLN 98 N 5.66 0.68 0.00 0.00 1.08 -1.68 -0.88 115.11 119.97 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 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.49 2dd4 h GLN 98 CO 0.72 0.45 0.00 1.57 -0.95 0.00 0.00 178.83 180.62 2dd4 h LYS 99 N 0.70 0.00 0.00 1.46 2.10 -1.83 -1.23 116.57 117.78 2dd4 h LYS 99 Ca 0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.04 2dd4 h LYS 99 Cb 0.55 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 2dd4 h LYS 99 CO -0.16 0.00 -0.26 -0.25 -2.00 0.00 0.00 179.45 176.78 2dd4 n ASP 100 N -3.05 0.30 -0.12 7.07 8.00 -0.34 -4.09 116.55 124.32 2dd4 n ASP 100 Ca -0.01 0.15 -0.22 0.00 0.71 0.00 0.00 54.79 55.41 2dd4 n ASP 100 Cb 0.17 -0.14 -0.09 0.00 -0.02 0.00 0.00 41.12 41.04 2dd4 n ASP 100 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2dd4 n LEU 101 N -1.57 2.15 -4.22 0.64 4.77 -0.57 -4.88 117.00 113.31 2dd4 n LEU 101 Ca 0.06 0.15 -0.36 0.00 -0.03 0.00 0.00 56.01 55.83 2dd4 n LEU 101 Cb 0.35 -0.74 -0.13 0.00 -2.33 0.00 0.00 43.42 40.57 2dd4 n LEU 101 CO 0.31 0.63 -0.34 0.26 -1.33 0.00 0.00 177.39 176.93 2dd4 s TRP 102 N -2.44 3.20 0.40 -1.77 0.52 -0.57 -5.00 118.94 113.29 2dd4 s TRP 102 Ca -0.32 -1.61 0.17 0.00 0.02 0.00 0.00 56.10 54.35 2dd4 s TRP 102 Cb 0.11 -2.14 1.06 0.00 -1.15 0.00 0.00 33.47 31.35 2dd4 s TRP 102 CO 0.46 -0.75 1.82 -1.35 0.02 0.00 0.00 176.95 177.15 2dd4 h PRO 103 N 8.07 0.42 -0.00 4.98 0.11 -1.87 -1.47 132.00 142.24 2dd4 h PRO 103 Ca -0.25 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2dd4 h PRO 103 Cb 1.08 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2dd4 h PRO 103 CO 0.56 0.28 -0.09 -0.85 -0.21 0.00 0.00 178.00 177.69 2dd4 n GLU 104 N -4.56 0.58 -1.66 1.05 0.00 -1.26 -4.92 120.64 109.87 2dd4 n GLU 104 Ca 0.21 -0.16 -0.46 0.00 0.00 0.00 0.00 57.16 56.76 2dd4 n GLU 104 Cb 0.74 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.65 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 -1.07 2.10 -2.49 -1.84 9.36 -0.55 -4.90 117.16 117.76 2dd4 n TYR 105 Ca 0.14 0.42 -0.41 0.00 3.32 0.00 0.00 57.90 61.37 2dd4 n TYR 105 Cb 0.27 -2.46 -0.04 0.00 -0.63 0.00 0.00 39.34 36.48 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 0.45 7.23 0.52 2.98 0.15 -1.26 -4.92 113.70 118.84 2dd4 s SER 106 Ca 0.72 2.11 0.35 0.00 0.70 0.00 0.00 55.95 59.84 2dd4 s SER 106 Cb -0.69 -2.60 1.77 0.00 -1.71 0.00 0.00 66.02 62.79 2dd4 s SER 106 CO 0.46 -0.25 2.06 0.44 1.20 0.00 0.00 173.24 177.15 2dd4 h ASP 107 N 5.16 0.00 -0.33 5.45 3.32 -1.99 -1.56 116.42 126.48 2dd4 h ASP 107 Ca -0.44 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.59 2dd4 h ASP 107 Cb 1.21 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 2dd4 h ASP 107 CO 0.73 0.00 0.15 0.74 -1.72 0.00 0.00 179.24 179.14 2dd4 h THR 108 N 0.00 1.15 -1.90 0.35 2.02 -2.01 -2.29 112.91 110.22 2dd4 h THR 108 Ca 0.00 -0.45 -0.71 0.00 0.77 0.00 0.00 66.41 66.02 2dd4 h THR 108 Cb 0.14 0.70 -0.32 0.00 -1.74 0.00 0.00 68.15 66.93 2dd4 h THR 108 CO 0.00 0.17 0.44 0.49 0.37 0.00 0.00 175.52 177.00 2dd4 n PHE 109 N -4.39 3.15 0.27 3.16 3.72 -0.59 -4.81 117.46 117.97 2dd4 n PHE 109 Ca 0.02 -2.68 0.18 0.00 -0.05 0.00 0.00 57.45 54.92 2dd4 n PHE 109 Cb 0.14 -0.83 0.94 0.00 -0.94 0.00 0.00 39.48 38.79 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 3.01 1.03 -0.02 4.37 0.00 -1.51 -2.80 119.26 123.34 2dd4 h ALA 110 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 2dd4 h ALA 110 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2dd4 h ALA 110 CO 1.20 -0.03 -0.32 0.09 0.00 0.00 0.00 179.25 180.20 2dd4 n ASN 111 N -2.73 2.35 -4.76 0.00 3.02 -1.26 -4.95 115.26 106.93 2dd4 n ASN 111 Ca -0.02 -1.67 -0.39 0.00 -0.03 0.00 0.00 54.58 52.46 2dd4 n ASN 111 Cb 0.08 0.32 0.01 0.00 -0.61 0.00 0.00 39.78 39.59 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 -2.32 5.89 0.26 6.41 1.11 -1.06 -4.95 116.67 122.01 2dd4 s ASP 112 Ca 0.22 2.69 0.03 0.00 0.18 0.00 0.00 52.55 55.66 2dd4 s ASP 112 Cb 0.19 -2.63 -0.04 0.00 1.07 0.00 0.00 42.92 41.51 2dd4 s ASP 112 CO 0.48 -1.14 0.19 0.42 1.18 0.00 0.00 175.17 176.30 2dd4 s THR 113 N -1.31 0.03 -0.03 -1.27 -4.23 -1.26 -1.86 115.64 105.71 2dd4 s THR 113 Ca 0.63 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.13 2dd4 s THR 113 Cb -0.38 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 70.99 2dd4 s THR 113 CO 0.48 0.00 0.05 -0.22 -0.54 0.00 0.00 174.62 174.39 2dd4 s LEU 114 N -3.27 0.48 -0.10 4.79 0.20 -0.09 -4.80 118.68 115.89 2dd4 s LEU 114 Ca 0.39 0.08 0.01 0.00 0.69 0.00 0.00 54.13 55.30 2dd4 s LEU 114 Cb 0.05 -0.09 -0.02 0.00 -0.43 0.00 0.00 46.19 45.70 2dd4 s LEU 114 CO 0.19 -0.20 -0.11 -0.70 -0.29 0.00 0.00 176.35 175.24 2dd4 s GLU 115 N 1.76 3.03 0.24 1.98 2.12 -1.26 -0.62 118.70 125.96 2dd4 s GLU 115 Ca -0.00 -0.64 -0.17 0.00 0.36 0.00 0.00 54.97 54.52 2dd4 s GLU 115 Cb -0.12 -2.58 0.01 0.00 0.26 0.00 0.00 34.13 31.70 2dd4 s GLU 115 CO -0.03 0.43 0.56 -0.08 -0.54 0.00 0.00 175.26 175.60 2dd4 s THR 116 N -0.20 0.01 -0.09 -1.70 -1.32 -0.75 -4.97 115.64 106.62 2dd4 s THR 116 Ca 0.01 -1.09 -0.02 0.00 -1.21 0.00 0.00 61.69 59.37 2dd4 s THR 116 Cb -0.13 -1.95 -0.03 0.00 -1.51 0.00 0.00 72.50 68.88 2dd4 s THR 116 CO 0.03 -0.04 0.01 -1.61 -2.21 0.00 0.00 174.62 170.81 2dd4 s GLU 117 N -3.94 3.06 -0.02 7.08 2.02 -1.26 -0.46 118.70 125.18 2dd4 s GLU 117 Ca 0.15 -0.38 0.00 0.00 0.02 0.00 0.00 54.97 54.76 2dd4 s GLU 117 Cb -0.02 -2.84 0.03 0.00 0.10 0.00 0.00 34.13 31.39 2dd4 s GLU 117 CO 0.05 0.69 0.03 0.42 0.02 0.00 0.00 175.26 176.47 2dd4 s ILE 118 N -0.85 -0.06 0.74 -1.63 1.01 -0.26 -4.91 121.20 115.25 2dd4 s ILE 118 Ca 0.13 0.21 -0.12 0.00 0.00 0.00 0.00 60.65 60.86 2dd4 s ILE 118 Cb -0.11 -0.08 0.04 0.00 0.01 0.00 0.00 42.46 42.32 2dd4 s ILE 118 CO 0.02 0.09 1.11 -2.16 0.00 0.00 0.00 174.94 173.99 2dd4 s PRO 119 N 1.02 2.34 0.37 2.79 0.04 -1.26 -1.78 135.00 138.51 2dd4 s PRO 119 Ca -0.08 1.29 0.12 0.00 0.04 0.00 0.00 61.00 62.36 2dd4 s PRO 119 Cb -0.12 -1.90 0.91 0.00 0.04 0.00 0.00 34.50 33.42 2dd4 s PRO 119 CO -0.03 -1.59 1.83 1.49 0.04 0.00 0.00 177.00 178.74 2dd4 h GLU 120 N -0.78 0.58 -0.40 4.56 4.81 -1.25 -2.63 114.58 119.48 2dd4 h GLU 120 Ca -0.45 -0.03 0.12 0.00 -0.13 0.00 0.00 59.36 58.86 2dd4 h GLU 120 Cb 1.24 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 2dd4 h GLU 120 CO 0.51 0.38 0.42 0.07 -0.73 0.00 0.00 179.01 179.66 2dd4 h ARG 121 N 0.60 0.00 -0.01 1.92 0.11 -1.92 -0.99 114.38 114.10 2dd4 h ARG 121 Ca 0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.58 2dd4 h ARG 121 Cb 0.98 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.06 2dd4 h ARG 121 CO -0.25 0.00 -0.31 0.66 0.10 0.00 0.00 179.97 180.17 2dd4 n TYR 122 N -3.77 0.00 -3.93 4.08 4.02 -0.99 -4.93 117.16 111.64 2dd4 n TYR 122 Ca 0.07 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.61 2dd4 n TYR 122 Cb 0.59 -0.17 -0.06 0.00 -0.02 0.00 0.00 39.34 39.68 2dd4 n TYR 122 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2dd4 s LEU 123 N -2.65 4.30 0.01 7.72 1.43 -0.38 -0.38 118.68 128.73 2dd4 s LEU 123 Ca 0.21 0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 53.69 2dd4 s LEU 123 Cb 0.19 -2.25 -0.01 0.00 0.03 0.00 0.00 46.19 44.15 2dd4 s LEU 123 CO 0.57 0.35 -0.00 -1.83 0.23 0.00 0.00 176.35 175.67 2dd4 s GLU 124 N -1.36 0.20 0.21 1.70 -1.05 -1.00 -4.96 118.70 112.44 2dd4 s GLU 124 Ca 0.19 -0.34 -0.32 0.00 -0.15 0.00 0.00 54.97 54.35 2dd4 s GLU 124 Cb -0.12 0.08 -0.13 0.00 -0.44 0.00 0.00 34.13 33.51 2dd4 s GLU 124 CO 0.09 -0.03 1.54 1.17 0.95 0.00 0.00 175.26 178.98 2dd4 n LYS 125 N 2.18 2.25 0.00 -4.83 3.00 -1.26 -0.86 118.16 118.64 2dd4 n LYS 125 Ca -0.19 0.81 0.09 0.00 -0.00 0.00 0.00 58.31 59.02 2dd4 n LYS 125 Cb 0.57 -2.55 0.56 0.00 0.00 0.00 0.00 35.03 33.61 2dd4 n LYS 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40