#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dm9 n ALA 6 N 0.00 5.57 -2.25 3.55 0.00 -1.26 -3.45 120.51 122.67 1dm9 n ALA 6 Ca 0.00 -2.29 0.04 0.00 0.00 0.00 0.00 53.44 51.19 1dm9 n ALA 6 Cb 0.00 -1.54 0.05 0.00 0.00 0.00 0.00 19.45 17.95 1dm9 n ALA 6 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1dm9 n VAL 7 N 0.01 0.35 -4.02 0.00 0.24 -1.26 -5.03 118.33 108.63 1dm9 n VAL 7 Ca 0.41 -1.17 -0.31 0.00 -2.04 0.00 0.00 64.34 61.23 1dm9 n VAL 7 Cb 0.59 0.71 -0.15 0.00 -1.47 0.00 0.00 33.84 33.52 1dm9 n VAL 7 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1dm9 s GLU 8 N -0.52 1.92 -0.08 7.34 2.02 -1.22 -4.97 118.70 123.18 1dm9 s GLU 8 Ca 0.29 -1.36 0.04 0.00 0.02 0.00 0.00 54.97 53.95 1dm9 s GLU 8 Cb 0.32 -2.86 0.00 0.00 0.10 0.00 0.00 34.13 31.69 1dm9 s GLU 8 CO -0.12 -0.66 -0.21 0.08 0.02 0.00 0.00 175.26 174.38 1dm9 s VAL 9 N 1.14 1.78 0.50 2.63 1.01 -1.26 -5.03 120.40 121.16 1dm9 s VAL 9 Ca -0.04 -0.87 -0.20 0.00 0.00 0.00 0.00 61.98 60.87 1dm9 s VAL 9 Cb -0.19 -1.54 -0.08 0.00 0.00 0.00 0.00 36.38 34.56 1dm9 s VAL 9 CO -0.06 0.50 1.06 -0.13 0.00 0.00 0.00 175.10 176.46 1dm9 s ARG 10 N 0.33 3.71 0.26 2.72 0.52 -1.26 -1.14 118.95 124.09 1dm9 s ARG 10 Ca -0.15 1.42 -0.05 0.00 -0.52 0.00 0.00 55.73 56.43 1dm9 s ARG 10 Cb -0.16 -2.09 0.30 0.00 0.52 0.00 0.00 34.95 33.51 1dm9 s ARG 10 CO 0.06 -0.52 1.94 1.25 0.02 0.00 0.00 175.30 178.05 1dm9 h LEU 11 N 1.51 1.12 -0.56 2.53 5.85 -0.25 0.20 115.31 125.71 1dm9 h LEU 11 Ca -0.50 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.12 1dm9 h LEU 11 Cb 1.23 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 1dm9 h LEU 11 CO 0.59 0.81 0.05 -2.24 -0.34 0.00 0.00 178.44 177.31 1dm9 h ASP 12 N 1.32 0.92 -0.34 1.25 2.03 -1.74 -0.91 116.42 118.95 1dm9 h ASP 12 Ca 0.35 -0.28 -0.03 0.00 -0.73 0.00 0.00 57.03 56.35 1dm9 h ASP 12 Cb -0.15 -0.25 -0.01 0.00 -0.83 0.00 0.00 39.33 38.09 1dm9 h ASP 12 CO -0.08 0.97 0.11 0.50 -1.03 0.00 0.00 179.24 179.71 1dm9 h LYS 13 N 0.84 0.53 -0.26 4.15 1.63 -1.72 -2.52 116.57 119.22 1dm9 h LYS 13 Ca 0.16 -0.12 0.04 0.00 -0.85 0.00 0.00 60.65 59.89 1dm9 h LYS 13 Cb 0.47 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.98 1dm9 h LYS 13 CO 0.02 0.56 0.02 2.35 -3.45 0.00 0.00 179.45 178.95 1dm9 h TRP 14 N 0.40 0.02 -0.56 1.91 7.01 -0.38 0.20 115.95 124.55 1dm9 h TRP 14 Ca 0.11 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.13 1dm9 h TRP 14 Cb 0.25 0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.31 1dm9 h TRP 14 CO 0.01 -0.02 0.36 -0.07 -2.79 0.00 0.00 178.44 175.93 1dm9 h LEU 15 N 0.10 0.64 -0.14 0.65 3.38 -1.01 0.17 115.31 119.10 1dm9 h LEU 15 Ca 0.12 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 1dm9 h LEU 15 Cb 0.15 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1dm9 h LEU 15 CO -0.19 0.47 -0.38 -0.25 0.09 0.00 0.00 178.44 178.18 1dm9 h TRP 16 N 0.76 0.66 -0.90 1.13 7.01 -1.00 -0.58 115.95 123.03 1dm9 h TRP 16 Ca 0.20 -0.26 -0.00 0.00 2.11 0.00 0.00 58.89 60.94 1dm9 h TRP 16 Cb -0.08 -0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 26.82 1dm9 h TRP 16 CO 0.00 1.00 0.56 0.00 -2.79 0.00 0.00 178.44 177.21 1dm9 h ALA 17 N 0.54 1.28 0.00 2.65 0.00 0.07 -0.11 119.26 123.69 1dm9 h ALA 17 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1dm9 h ALA 17 Cb 1.00 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1dm9 h ALA 17 CO 0.08 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.96 1dm9 n ALA 18 N -2.40 2.51 -1.80 0.00 0.00 0.52 -4.17 120.51 115.17 1dm9 n ALA 18 Ca 0.10 -0.17 -0.14 0.00 0.00 0.00 0.00 53.44 53.23 1dm9 n ALA 18 Cb 0.05 -1.45 -0.04 0.00 0.00 0.00 0.00 19.45 18.02 1dm9 n ALA 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1dm9 n ARG 19 N -1.02 -1.03 0.13 0.00 1.74 -0.05 -4.46 116.66 111.97 1dm9 n ARG 19 Ca 0.20 0.84 -0.01 0.00 -0.77 0.00 0.00 57.85 58.11 1dm9 n ARG 19 Cb 0.10 -5.01 0.10 0.00 -1.02 0.00 0.00 32.46 26.64 1dm9 n ARG 19 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1dm9 h PHE 20 N 0.00 0.00 -3.94 -1.55 -1.00 -1.33 -3.45 116.94 105.67 1dm9 h PHE 20 Ca -0.30 0.00 -0.29 0.00 2.81 0.00 0.00 57.97 60.18 1dm9 h PHE 20 Cb 1.06 0.00 -0.24 0.00 3.61 0.00 0.00 35.95 40.38 1dm9 h PHE 20 CO 0.38 0.66 -0.74 0.71 -1.61 0.00 0.00 178.31 177.71 1dm9 s TYR 21 N -3.27 0.60 0.38 -0.55 1.51 -1.24 -5.01 117.35 109.78 1dm9 s TYR 21 Ca 0.00 -0.35 0.05 0.00 -1.01 0.00 0.00 57.07 55.77 1dm9 s TYR 21 Cb 0.11 -0.36 0.77 0.00 -0.11 0.00 0.00 41.96 42.37 1dm9 s TYR 21 CO 0.76 -0.06 2.03 0.87 -1.11 0.00 0.00 175.55 178.04 1dm9 h LYS 22 N 5.04 0.66 -4.78 -0.62 1.57 -1.93 -3.41 116.57 113.11 1dm9 h LYS 22 Ca -0.33 -0.04 -0.26 0.00 -1.87 0.00 0.00 60.65 58.15 1dm9 h LYS 22 Cb 1.20 -0.15 -0.15 0.00 0.08 0.00 0.00 32.23 33.21 1dm9 h LYS 22 CO 0.44 0.44 -0.70 0.95 -0.57 0.00 0.00 179.45 180.01 1dm9 s THR 23 N -5.60 0.81 0.29 -0.16 -4.23 -1.26 -5.04 115.64 100.45 1dm9 s THR 23 Ca -0.09 -1.97 0.01 0.00 -1.18 0.00 0.00 61.69 58.46 1dm9 s THR 23 Cb 0.18 -1.79 0.11 0.00 1.34 0.00 0.00 72.50 72.34 1dm9 s THR 23 CO 0.75 -0.78 1.78 0.03 -0.54 0.00 0.00 174.62 175.86 1dm9 h ARG 24 N 2.88 0.63 -0.64 3.99 3.08 -1.86 -1.76 114.38 120.69 1dm9 h ARG 24 Ca -0.36 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 59.47 1dm9 h ARG 24 Cb 1.18 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.13 1dm9 h ARG 24 CO 0.64 0.70 0.23 0.00 -1.07 0.00 0.00 179.97 180.48 1dm9 h ALA 25 N 1.34 1.20 -0.27 0.04 0.00 -1.96 0.23 119.26 119.84 1dm9 h ALA 25 Ca 0.11 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1dm9 h ALA 25 Cb 0.48 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1dm9 h ALA 25 CO 0.03 0.57 -0.27 1.25 0.00 0.00 0.00 179.25 180.83 1dm9 h LEU 26 N 0.93 0.71 -1.00 0.00 5.85 -1.89 -1.31 115.31 118.60 1dm9 h LEU 26 Ca 0.22 -0.47 0.05 0.00 0.84 0.00 0.00 57.88 58.51 1dm9 h LEU 26 Cb 0.21 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.98 1dm9 h LEU 26 CO -0.02 1.04 0.65 0.00 -0.34 0.00 0.00 178.44 179.77 1dm9 h ALA 27 N 0.70 1.35 -0.72 1.25 0.00 -0.75 -0.80 119.26 120.29 1dm9 h ALA 27 Ca 0.04 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1dm9 h ALA 27 Cb 0.83 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1dm9 h ALA 27 CO 0.07 0.50 0.22 -0.09 0.00 0.00 0.00 179.25 179.95 1dm9 h ARG 28 N 1.22 1.11 -0.43 0.00 2.43 -0.26 -1.76 114.38 116.70 1dm9 h ARG 28 Ca 0.41 -0.24 -0.10 0.00 -0.81 0.00 0.00 59.98 59.24 1dm9 h ARG 28 Cb 0.08 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 1dm9 h ARG 28 CO -0.15 0.95 -0.16 0.93 -1.51 0.00 0.00 179.97 180.03 1dm9 h GLU 29 N 1.07 0.80 -0.52 0.20 5.08 -0.15 -1.18 114.58 119.87 1dm9 h GLU 29 Ca 0.23 -0.29 -0.12 0.00 -1.00 0.00 0.00 59.36 58.18 1dm9 h GLU 29 Cb 0.30 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1dm9 h GLU 29 CO -0.01 0.91 -0.14 0.52 -1.00 0.00 0.00 179.01 179.29 1dm9 h MET 30 N 0.71 1.02 -0.10 2.33 2.86 -0.96 -0.06 114.93 120.74 1dm9 h MET 30 Ca 0.11 -0.40 -0.00 0.00 -2.06 0.00 0.00 59.70 57.35 1dm9 h MET 30 Cb 0.66 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.26 1dm9 h MET 30 CO 0.05 1.08 0.05 0.82 1.06 0.00 0.00 176.91 179.97 1dm9 h ILE 31 N 0.90 1.11 0.00 -1.22 2.04 -1.11 0.14 117.51 119.37 1dm9 h ILE 31 Ca 0.13 -0.33 -0.05 0.00 1.00 0.00 0.00 64.86 65.61 1dm9 h ILE 31 Cb 0.72 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 1dm9 h ILE 31 CO 0.05 0.10 -0.23 -0.33 0.00 0.00 0.00 178.15 177.75 1dm9 h GLU 32 N 0.03 0.00 0.00 2.37 5.08 -1.11 -0.02 114.58 120.93 1dm9 h GLU 32 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1dm9 h GLU 32 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1dm9 h GLU 32 CO -0.00 0.23 0.00 0.41 -1.00 0.00 0.00 179.01 178.64 1dm9 n GLY 33 N -0.58 -1.03 2.23 -3.84 0.00 -0.05 -4.87 105.19 97.06 1dm9 n GLY 33 Ca -0.02 -0.15 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 1dm9 n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dm9 n GLY 34 N 0.89 0.94 0.31 -0.02 0.00 -0.02 -4.89 105.19 102.39 1dm9 n GLY 34 Ca 0.17 -0.66 0.14 0.00 0.00 0.00 0.00 46.02 45.67 1dm9 n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1dm9 n LYS 35 N -2.71 1.15 -4.47 1.61 5.02 0.47 -4.70 118.16 114.54 1dm9 n LYS 35 Ca -0.07 -0.62 -0.25 0.00 -2.02 0.00 0.00 58.31 55.35 1dm9 n LYS 35 Cb 0.25 -1.49 -0.17 0.00 -0.02 0.00 0.00 35.03 33.61 1dm9 n LYS 35 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1dm9 s VAL 36 N -2.28 1.09 0.10 -0.18 1.01 -1.21 -1.85 120.40 117.09 1dm9 s VAL 36 Ca 0.31 -0.44 0.09 0.00 0.00 0.00 0.00 61.98 61.95 1dm9 s VAL 36 Cb 0.20 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1dm9 s VAL 36 CO 0.43 0.35 -0.22 -1.00 0.00 0.00 0.00 175.10 174.66 1dm9 s HIS 37 N 0.83 2.43 -0.20 5.22 3.76 0.11 -4.28 115.29 123.16 1dm9 s HIS 37 Ca -0.12 -0.32 -0.00 0.00 -0.15 0.00 0.00 55.06 54.47 1dm9 s HIS 37 Cb -0.15 -1.33 0.01 0.00 1.11 0.00 0.00 32.58 32.22 1dm9 s HIS 37 CO 0.02 0.32 -0.14 -0.47 -0.85 0.00 0.00 174.74 173.62 1dm9 s TYR 38 N -1.05 2.88 -1.54 1.40 5.04 -0.37 -1.68 117.35 122.03 1dm9 s TYR 38 Ca 0.15 -1.48 -0.07 0.00 -2.44 0.00 0.00 57.07 53.23 1dm9 s TYR 38 Cb -0.10 -1.98 0.06 0.00 0.35 0.00 0.00 41.96 40.28 1dm9 s TYR 38 CO 0.07 -0.74 0.51 0.09 -1.34 0.00 0.00 175.55 174.14 1dm9 n ASN 39 N 4.66 -1.29 0.00 4.32 3.02 0.17 -1.72 115.26 124.43 1dm9 n ASN 39 Ca -0.19 -1.04 0.00 0.00 -0.03 0.00 0.00 54.58 53.32 1dm9 n ASN 39 Cb 0.50 -2.78 0.00 0.00 -0.61 0.00 0.00 39.78 36.89 1dm9 n ASN 39 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dm9 n GLY 40 N -1.83 0.49 3.12 7.41 0.00 -1.26 -5.02 105.19 108.10 1dm9 n GLY 40 Ca -0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 1dm9 n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1dm9 s GLN 41 N -0.12 0.75 0.41 1.61 -0.21 -0.70 -5.06 119.66 116.34 1dm9 s GLN 41 Ca 0.00 -1.31 -0.25 0.00 0.02 0.00 0.00 55.36 53.82 1dm9 s GLN 41 Cb 0.00 0.18 -0.11 0.00 1.00 0.00 0.00 33.01 34.08 1dm9 s GLN 41 CO 0.00 -0.15 0.99 -2.13 -2.12 0.00 0.00 175.29 171.88 1dm9 n ARG 42 N 0.02 1.33 -0.02 2.91 0.63 -1.26 -1.24 116.66 119.03 1dm9 n ARG 42 Ca -0.11 0.47 0.00 0.00 -0.92 0.00 0.00 57.85 57.30 1dm9 n ARG 42 Cb 0.62 -2.01 0.00 0.00 0.45 0.00 0.00 32.46 31.52 1dm9 n ARG 42 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1dm9 n SER 43 N 0.60 1.50 -3.81 6.15 2.88 -1.26 -4.73 113.62 114.95 1dm9 n SER 43 Ca 0.09 -0.01 -0.12 0.00 -1.33 0.00 0.00 58.87 57.51 1dm9 n SER 43 Cb 0.38 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.76 1dm9 n SER 43 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1dm9 s LYS 44 N 0.97 0.68 0.34 -1.46 -2.85 -1.26 -4.82 119.74 111.34 1dm9 s LYS 44 Ca 0.00 -0.45 0.10 0.00 -1.00 0.00 0.00 55.97 54.62 1dm9 s LYS 44 Cb 0.00 0.29 0.88 0.00 -2.06 0.00 0.00 37.83 36.94 1dm9 s LYS 44 CO 0.00 -0.20 1.77 -1.35 0.10 0.00 0.00 175.35 175.67 1dm9 h PRO 45 N 3.63 0.59 -0.01 1.78 0.11 -1.94 -2.27 132.00 133.89 1dm9 h PRO 45 Ca -0.31 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1dm9 h PRO 45 Cb 1.19 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1dm9 h PRO 45 CO 0.44 0.39 -0.05 -1.13 -0.21 0.00 0.00 178.00 177.45 1dm9 n SER 46 N -4.75 0.78 -4.66 -2.05 3.41 -1.26 -2.22 113.62 102.87 1dm9 n SER 46 Ca 0.24 -1.07 -0.47 0.00 -0.26 0.00 0.00 58.87 57.32 1dm9 n SER 46 Cb 0.69 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.59 1dm9 n SER 46 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1dm9 n LYS 47 N -0.51 1.98 -2.94 4.33 3.00 -0.86 -4.64 118.16 118.52 1dm9 n LYS 47 Ca 0.19 0.71 -0.41 0.00 -0.00 0.00 0.00 58.31 58.80 1dm9 n LYS 47 Cb 0.27 -2.44 -0.04 0.00 0.00 0.00 0.00 35.03 32.81 1dm9 n LYS 47 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1dm9 s ILE 48 N 0.67 4.95 0.26 3.15 -1.09 -1.26 0.06 121.20 127.93 1dm9 s ILE 48 Ca 0.78 1.59 -0.29 0.00 -2.23 0.00 0.00 60.65 60.49 1dm9 s ILE 48 Cb -0.71 -4.11 -0.09 0.00 -1.58 0.00 0.00 42.46 35.96 1dm9 s ILE 48 CO 0.41 0.13 1.20 -0.69 -1.23 0.00 0.00 174.94 174.76 1dm9 s VAL 49 N 1.52 3.26 0.08 2.92 1.01 -0.29 -4.92 120.40 123.98 1dm9 s VAL 49 Ca 0.39 1.19 0.08 0.00 0.00 0.00 0.00 61.98 63.64 1dm9 s VAL 49 Cb -0.17 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1dm9 s VAL 49 CO 0.16 0.25 -0.17 -1.61 0.00 0.00 0.00 175.10 173.73 1dm9 s GLU 50 N -1.13 1.96 0.52 2.72 2.02 -1.26 -4.73 118.70 118.80 1dm9 s GLU 50 Ca 0.49 -1.07 -0.22 0.00 0.02 0.00 0.00 54.97 54.19 1dm9 s GLU 50 Cb -0.35 -2.17 -0.05 0.00 0.10 0.00 0.00 34.13 31.65 1dm9 s GLU 50 CO 0.43 0.51 1.28 -0.51 0.02 0.00 0.00 175.26 177.00 1dm9 s LEU 51 N -1.82 3.88 -0.66 1.80 1.43 -1.26 -2.81 118.68 119.25 1dm9 s LEU 51 Ca 0.17 2.59 0.00 0.00 -1.03 0.00 0.00 54.13 55.85 1dm9 s LEU 51 Cb -0.11 -4.30 0.00 0.00 0.03 0.00 0.00 46.19 41.82 1dm9 s LEU 51 CO 0.08 -1.38 0.00 0.59 0.23 0.00 0.00 176.35 175.88 1dm9 n ASN 52 N -0.92 -4.61 -4.81 2.29 3.02 0.20 -4.94 115.26 105.49 1dm9 n ASN 52 Ca 0.10 0.15 -0.33 0.00 -0.03 0.00 0.00 54.58 54.48 1dm9 n ASN 52 Cb 0.46 -2.65 -0.00 0.00 -0.61 0.00 0.00 39.78 36.98 1dm9 n ASN 52 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dm9 s ALA 53 N -1.94 2.83 -0.25 5.41 0.00 -1.12 -4.69 121.76 121.98 1dm9 s ALA 53 Ca 0.00 0.33 -0.08 0.00 0.00 0.00 0.00 51.96 52.21 1dm9 s ALA 53 Cb 0.00 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 1dm9 s ALA 53 CO 0.00 -0.67 0.10 0.99 0.00 0.00 0.00 175.76 176.19 1dm9 s THR 54 N -2.51 4.61 -0.11 0.00 2.01 -1.26 -1.54 115.64 116.84 1dm9 s THR 54 Ca 0.62 -0.07 -0.00 0.00 0.31 0.00 0.00 61.69 62.55 1dm9 s THR 54 Cb -0.14 -3.16 -0.02 0.00 0.01 0.00 0.00 72.50 69.18 1dm9 s THR 54 CO 0.36 0.32 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.75 1dm9 s LEU 55 N 1.60 2.94 -0.14 4.42 1.43 0.11 0.44 118.68 129.48 1dm9 s LEU 55 Ca 0.06 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 1dm9 s LEU 55 Cb -0.15 -1.66 0.01 0.00 0.03 0.00 0.00 46.19 44.42 1dm9 s LEU 55 CO 0.06 0.24 -0.21 -0.89 0.23 0.00 0.00 176.35 175.77 1dm9 s THR 56 N -0.09 2.11 0.03 5.49 2.01 -0.68 -0.23 115.64 124.28 1dm9 s THR 56 Ca -0.00 -0.96 -0.05 0.00 0.31 0.00 0.00 61.69 60.98 1dm9 s THR 56 Cb -0.14 -1.85 -0.01 0.00 0.01 0.00 0.00 72.50 70.52 1dm9 s THR 56 CO 0.03 0.55 0.09 -1.48 -0.69 0.00 0.00 174.62 173.12 1dm9 s LEU 57 N 0.83 1.79 -0.11 4.42 0.05 -0.29 0.05 118.68 125.42 1dm9 s LEU 57 Ca -0.07 -0.47 -0.22 0.00 0.05 0.00 0.00 54.13 53.43 1dm9 s LEU 57 Cb -0.15 0.58 -0.03 0.00 -2.05 0.00 0.00 46.19 44.53 1dm9 s LEU 57 CO -0.02 -0.47 0.65 0.00 -0.55 0.00 0.00 176.35 175.96 1dm9 s ARG 58 N -2.29 4.36 -0.46 1.48 1.04 -0.77 -1.23 118.95 121.08 1dm9 s ARG 58 Ca -0.08 0.75 0.02 0.00 -1.04 0.00 0.00 55.73 55.39 1dm9 s ARG 58 Cb -0.03 -3.48 0.12 0.00 -2.04 0.00 0.00 34.95 29.52 1dm9 s ARG 58 CO -0.03 -0.01 0.21 -0.65 -0.04 0.00 0.00 175.30 174.77 1dm9 s GLN 59 N 1.11 1.89 5.34 3.89 -1.52 0.18 -4.95 119.66 125.60 1dm9 s GLN 59 Ca 0.33 -2.27 0.00 0.00 -1.95 0.00 0.00 55.36 51.48 1dm9 s GLN 59 Cb -0.17 -3.37 0.00 0.00 -0.22 0.00 0.00 33.01 29.25 1dm9 s GLN 59 CO 0.14 -1.06 0.00 0.41 -0.25 0.00 0.00 175.29 174.54 1dm9 n GLY 60 N 3.72 1.15 0.17 3.09 0.00 -1.26 0.61 105.19 112.68 1dm9 n GLY 60 Ca 0.04 0.34 0.03 0.00 0.00 0.00 0.00 46.02 46.43 1dm9 n GLY 60 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1dm9 n ASN 61 N 10.32 2.31 -4.90 1.61 5.15 -1.26 -5.02 115.26 123.47 1dm9 n ASN 61 Ca 0.00 -2.17 -0.30 0.00 -0.60 0.00 0.00 54.58 51.51 1dm9 n ASN 61 Cb 0.00 -0.12 -0.04 0.00 -0.53 0.00 0.00 39.78 39.09 1dm9 n ASN 61 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1dm9 s ASP 62 N -1.26 6.50 -0.06 1.20 1.11 0.20 -5.10 116.67 119.26 1dm9 s ASP 62 Ca 0.10 0.71 0.05 0.00 0.18 0.00 0.00 52.55 53.60 1dm9 s ASP 62 Cb 0.07 -2.14 -0.01 0.00 1.07 0.00 0.00 42.92 41.90 1dm9 s ASP 62 CO 0.04 -0.09 -0.22 -0.70 1.18 0.00 0.00 175.17 175.38 1dm9 s GLU 63 N -3.11 2.60 -0.00 8.23 2.12 -1.26 0.49 118.70 127.77 1dm9 s GLU 63 Ca 0.44 -0.85 0.03 0.00 0.36 0.00 0.00 54.97 54.95 1dm9 s GLU 63 Cb -0.11 -2.24 -0.01 0.00 0.26 0.00 0.00 34.13 32.03 1dm9 s GLU 63 CO 0.26 0.42 -0.10 1.03 -0.54 0.00 0.00 175.26 176.34 1dm9 s ARG 64 N -0.24 0.76 -0.20 4.30 0.52 -0.37 -4.76 118.95 118.95 1dm9 s ARG 64 Ca -0.01 -0.37 -0.01 0.00 -0.52 0.00 0.00 55.73 54.82 1dm9 s ARG 64 Cb -0.13 -0.73 0.01 0.00 0.52 0.00 0.00 34.95 34.62 1dm9 s ARG 64 CO 0.03 0.20 -0.12 0.99 0.02 0.00 0.00 175.30 176.42 1dm9 s THR 65 N -0.29 2.70 0.19 0.02 2.01 -1.26 -1.13 115.64 117.88 1dm9 s THR 65 Ca 0.03 -0.74 0.09 0.00 0.31 0.00 0.00 61.69 61.38 1dm9 s THR 65 Cb -0.04 -2.20 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 1dm9 s THR 65 CO -0.00 0.47 -0.18 0.68 -0.69 0.00 0.00 174.62 174.90 1dm9 s VAL 66 N 1.38 1.93 -0.16 3.82 -7.23 0.68 -1.25 120.40 119.57 1dm9 s VAL 66 Ca 0.05 -2.05 -0.04 0.00 -1.81 0.00 0.00 61.98 58.14 1dm9 s VAL 66 Cb -0.14 -1.96 -0.03 0.00 0.56 0.00 0.00 36.38 34.81 1dm9 s VAL 66 CO -0.08 -0.37 -0.04 -0.63 -0.31 0.00 0.00 175.10 173.68 1dm9 s ILE 67 N -2.26 3.89 -0.08 -0.62 -1.09 -0.68 -0.71 121.20 119.65 1dm9 s ILE 67 Ca 0.19 -0.36 -0.30 0.00 -2.23 0.00 0.00 60.65 57.96 1dm9 s ILE 67 Cb -0.05 -2.71 -0.04 0.00 -1.58 0.00 0.00 42.46 38.09 1dm9 s ILE 67 CO 0.08 0.49 1.35 -0.69 -1.23 0.00 0.00 174.94 174.94 1dm9 s VAL 68 N 0.38 4.00 -0.14 2.92 1.01 -0.59 -1.54 120.40 126.45 1dm9 s VAL 68 Ca -0.04 1.29 0.11 0.00 0.00 0.00 0.00 61.98 63.34 1dm9 s VAL 68 Cb -0.14 -3.83 -0.16 0.00 0.00 0.00 0.00 36.38 32.24 1dm9 s VAL 68 CO 0.03 -0.06 0.30 0.29 0.00 0.00 0.00 175.10 175.66 1dm9 n LYS 69 N 6.06 1.06 -3.58 2.72 4.76 -0.23 0.62 118.16 129.56 1dm9 n LYS 69 Ca 0.14 -0.08 -0.13 0.00 -2.87 0.00 0.00 58.31 55.37 1dm9 n LYS 69 Cb 0.44 -1.21 -0.05 0.00 -1.84 0.00 0.00 35.03 32.37 1dm9 n LYS 69 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1dm9 s ALA 70 N -2.62 -1.22 0.02 7.82 0.00 -0.82 -4.94 121.76 120.00 1dm9 s ALA 70 Ca -0.02 0.39 0.08 0.00 0.00 0.00 0.00 51.96 52.40 1dm9 s ALA 70 Cb 0.08 0.51 -0.02 0.00 0.00 0.00 0.00 23.12 23.68 1dm9 s ALA 70 CO 0.47 -0.56 -0.22 0.96 0.00 0.00 0.00 175.76 176.41 1dm9 s ILE 71 N -2.92 1.79 0.20 0.00 -4.36 -1.26 -4.82 121.20 109.83 1dm9 s ILE 71 Ca -0.03 -1.14 -0.23 0.00 -0.26 0.00 0.00 60.65 59.00 1dm9 s ILE 71 Cb -0.00 -1.53 0.05 0.00 1.25 0.00 0.00 42.46 42.23 1dm9 s ILE 71 CO -0.06 0.35 0.78 0.28 0.24 0.00 0.00 174.94 176.54 1dm9 s THR 72 N -0.69 0.00 -0.57 8.37 -1.32 -1.26 -5.04 115.64 115.13 1dm9 s THR 72 Ca 0.09 -0.65 0.06 0.00 -1.21 0.00 0.00 61.69 59.98 1dm9 s THR 72 Cb -0.09 -1.74 0.01 0.00 -1.51 0.00 0.00 72.50 69.17 1dm9 s THR 72 CO 0.01 0.00 0.52 -0.62 -2.21 0.00 0.00 174.62 172.32 1dm9 n GLU 73 N -0.43 1.77 -3.61 7.08 1.02 -1.26 -4.71 120.64 120.50 1dm9 n GLU 73 Ca -0.07 -0.55 -0.37 0.00 -0.02 0.00 0.00 57.16 56.14 1dm9 n GLU 73 Cb 0.61 -0.98 -0.06 0.00 -0.02 0.00 0.00 31.44 30.98 1dm9 n GLU 73 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1dm9 s GLN 74 N -0.86 3.86 -0.43 3.49 -0.21 -1.26 -4.92 119.66 119.33 1dm9 s GLN 74 Ca 0.05 0.19 -0.17 0.00 0.02 0.00 0.00 55.36 55.46 1dm9 s GLN 74 Cb 0.05 -3.26 0.03 0.00 1.00 0.00 0.00 33.01 30.83 1dm9 s GLN 74 CO 0.13 0.61 0.42 0.50 -2.12 0.00 0.00 175.29 174.83 1dm9 s ARG 75 N -0.71 3.06 0.45 2.91 3.52 -1.26 -4.73 118.95 122.18 1dm9 s ARG 75 Ca 0.20 -0.89 0.03 0.00 -0.13 0.00 0.00 55.73 54.94 1dm9 s ARG 75 Cb -0.15 -4.00 0.08 0.00 -1.56 0.00 0.00 34.95 29.32 1dm9 s ARG 75 CO 0.09 -0.89 0.61 0.54 -0.81 0.00 0.00 175.30 174.84 1dm9 n ARG 76 N 5.53 0.42 -1.43 5.12 5.12 -1.26 -5.06 116.66 125.10 1dm9 n ARG 76 Ca -0.08 -1.99 -0.33 0.00 -1.93 0.00 0.00 57.85 53.52 1dm9 n ARG 76 Cb 0.47 -0.31 0.09 0.00 -1.16 0.00 0.00 32.46 31.54 1dm9 n ARG 76 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1dm9 s PRO 77 N -4.02 2.25 0.04 5.56 0.04 -1.26 -4.32 135.00 133.29 1dm9 s PRO 77 Ca 0.43 1.50 -0.07 0.00 0.04 0.00 0.00 61.00 62.90 1dm9 s PRO 77 Cb -0.03 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.62 1dm9 s PRO 77 CO 0.28 -1.70 0.52 0.00 0.04 0.00 0.00 177.00 176.15 1dm9 n ALA 78 N -2.94 -0.15 0.08 8.56 0.00 -1.26 0.67 120.51 125.48 1dm9 n ALA 78 Ca 0.11 0.19 -0.04 0.00 0.00 0.00 0.00 53.44 53.71 1dm9 n ALA 78 Cb 0.52 0.06 0.17 0.00 0.00 0.00 0.00 19.45 20.19 1dm9 n ALA 78 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1dm9 h SER 79 N 0.00 0.27 -0.00 0.00 0.87 -2.00 -3.22 113.55 109.47 1dm9 h SER 79 Ca 0.04 -0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1dm9 h SER 79 Cb 0.09 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1dm9 h SER 79 CO -0.21 0.74 -0.00 -0.33 -0.53 0.00 0.00 176.83 176.49 1dm9 h GLU 80 N 0.20 0.00 0.27 2.24 5.08 -0.10 -3.31 114.58 118.96 1dm9 h GLU 80 Ca 0.01 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1dm9 h GLU 80 Cb 0.97 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 1dm9 h GLU 80 CO 0.08 0.54 -0.32 0.00 -1.00 0.00 0.00 179.01 178.31 1dm9 h ALA 81 N 0.46 -0.64 -0.20 3.43 0.00 -0.89 -2.28 119.26 119.14 1dm9 h ALA 81 Ca 0.00 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.88 1dm9 h ALA 81 Cb 0.54 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1dm9 h ALA 81 CO 0.00 -0.90 0.46 0.00 0.00 0.00 0.00 179.25 178.80 1dm9 n ALA 82 N -2.63 0.20 1.54 0.00 0.00 -1.22 0.54 120.51 118.94 1dm9 n ALA 82 Ca -0.09 0.07 0.04 0.00 0.00 0.00 0.00 53.44 53.46 1dm9 n ALA 82 Cb 0.33 -0.12 0.13 0.00 0.00 0.00 0.00 19.45 19.79 1dm9 n ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1dm9 n LEU 83 N -1.69 0.79 -0.25 0.00 7.99 -0.86 -3.84 117.00 119.15 1dm9 n LEU 83 Ca 0.05 -0.39 0.13 0.00 -0.01 0.00 0.00 56.01 55.79 1dm9 n LEU 83 Cb 0.52 -0.09 0.40 0.00 -0.11 0.00 0.00 43.42 44.14 1dm9 n LEU 83 CO 0.05 0.19 0.68 0.18 -1.51 0.00 0.00 177.39 176.98 1dm9 n LEU 84 N -0.10 1.01 -3.93 2.23 4.77 0.19 -4.72 117.00 116.45 1dm9 n LEU 84 Ca 0.07 -0.26 -0.09 0.00 -0.03 0.00 0.00 56.01 55.70 1dm9 n LEU 84 Cb 0.13 -0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.05 1dm9 n LEU 84 CO 0.05 0.19 0.19 -0.72 -1.33 0.00 0.00 177.39 175.76 1dm9 s TYR 85 N -2.47 0.24 -0.22 -1.77 -0.85 -1.25 -1.06 117.35 109.96 1dm9 s TYR 85 Ca 0.25 -0.60 -0.02 0.00 -0.52 0.00 0.00 57.07 56.19 1dm9 s TYR 85 Cb 0.19 0.22 0.07 0.00 0.38 0.00 0.00 41.96 42.82 1dm9 s TYR 85 CO 0.51 -0.95 0.03 -2.00 -1.52 0.00 0.00 175.55 171.61 1dm9 s GLU 86 N -3.97 0.84 0.43 -3.49 2.12 -0.59 -4.87 118.70 109.17 1dm9 s GLU 86 Ca 0.18 -0.62 -0.26 0.00 0.36 0.00 0.00 54.97 54.63 1dm9 s GLU 86 Cb -0.00 -2.18 -0.09 0.00 0.26 0.00 0.00 34.13 32.12 1dm9 s GLU 86 CO 0.05 -0.68 1.43 -2.00 -0.54 0.00 0.00 175.26 173.51 1dm9 s GLU 87 N 1.74 3.79 0.57 4.30 2.12 -1.26 -1.69 118.70 128.27 1dm9 s GLU 87 Ca -0.00 2.43 -0.17 0.00 0.36 0.00 0.00 54.97 57.58 1dm9 s GLU 87 Cb -0.17 -2.72 -0.04 0.00 0.26 0.00 0.00 34.13 31.45 1dm9 s GLU 87 CO -0.10 -0.74 1.07 0.95 -0.54 0.00 0.00 175.26 175.90 1dm9 s THR 88 N -1.19 3.66 0.24 -1.70 -4.23 -0.38 -4.87 115.64 107.16 1dm9 s THR 88 Ca 0.59 0.86 -0.07 0.00 -1.18 0.00 0.00 61.69 61.89 1dm9 s THR 88 Cb -0.44 -3.35 0.23 0.00 1.34 0.00 0.00 72.50 70.28 1dm9 s THR 88 CO 0.57 -0.39 1.89 0.00 -0.54 0.00 0.00 174.62 176.15 1dm9 h ALA 89 N 0.71 1.20 -0.61 3.99 0.00 -1.92 -0.02 119.26 122.60 1dm9 h ALA 89 Ca -0.48 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.29 1dm9 h ALA 89 Cb 1.23 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1dm9 h ALA 89 CO 0.57 0.65 0.19 1.49 0.00 0.00 0.00 179.25 182.14 1dm9 h GLU 90 N 1.29 0.92 -0.30 0.00 4.81 -1.96 -0.84 114.58 118.50 1dm9 h GLU 90 Ca 0.34 -0.18 -0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1dm9 h GLU 90 Cb -0.06 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 1dm9 h GLU 90 CO -0.06 0.80 -0.13 1.03 -0.73 0.00 0.00 179.01 179.91 1dm9 h SER 91 N 0.89 0.63 -0.32 1.04 0.87 -1.48 -1.38 113.55 113.81 1dm9 h SER 91 Ca 0.20 -0.40 -0.01 0.00 -1.23 0.00 0.00 61.79 60.35 1dm9 h SER 91 Cb 0.26 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 1dm9 h SER 91 CO -0.01 0.89 0.18 -0.37 -0.53 0.00 0.00 176.83 176.99 1dm9 h VAL 92 N 0.37 1.13 -0.34 2.23 -1.51 -0.63 -1.90 116.25 115.61 1dm9 h VAL 92 Ca 0.07 -0.34 0.03 0.00 -1.23 0.00 0.00 66.70 65.23 1dm9 h VAL 92 Cb 0.65 0.78 -0.03 0.00 -2.13 0.00 0.00 31.29 30.55 1dm9 h VAL 92 CO 0.04 0.13 0.15 -0.33 -1.23 0.00 0.00 177.57 176.33 1dm9 h GLU 93 N 0.40 0.30 -0.87 5.19 5.08 -1.11 -0.19 114.58 123.38 1dm9 h GLU 93 Ca 0.11 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1dm9 h GLU 93 Cb 0.06 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 1dm9 h GLU 93 CO -0.02 0.20 0.58 0.87 -1.00 0.00 0.00 179.01 179.64 1dm9 h LYS 94 N 0.31 1.13 0.09 2.33 1.57 -1.06 0.66 116.57 121.60 1dm9 h LYS 94 Ca 0.15 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1dm9 h LYS 94 Cb 0.09 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.14 1dm9 h LYS 94 CO -0.12 0.75 -0.04 0.00 -0.57 0.00 0.00 179.45 179.46 1dm9 h ARG 95 N 1.16 -0.12 0.23 3.15 3.08 -0.87 -2.02 114.38 119.00 1dm9 h ARG 95 Ca 0.33 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.39 1dm9 h ARG 95 Cb -0.10 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 1dm9 h ARG 95 CO -0.08 0.05 -0.42 0.93 -1.07 0.00 0.00 179.97 179.38 1dm9 h GLU 96 N -0.26 -0.67 -0.83 0.04 4.39 -0.60 -1.00 114.58 115.64 1dm9 h GLU 96 Ca -0.01 0.05 0.20 0.00 0.34 0.00 0.00 59.36 59.94 1dm9 h GLU 96 Cb 0.22 0.15 -0.13 0.00 -0.10 0.00 0.00 28.75 28.90 1dm9 h GLU 96 CO 0.02 -0.45 0.25 0.87 -1.16 0.00 0.00 179.01 178.54 1dm9 h LYS 97 N -0.69 0.27 -0.46 2.33 1.57 -0.88 0.46 116.57 119.17 1dm9 h LYS 97 Ca -0.03 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1dm9 h LYS 97 Cb 0.65 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 1dm9 h LYS 97 CO -0.15 0.18 0.06 0.52 -0.57 0.00 0.00 179.45 179.49 1dm9 h MET 98 N 0.28 0.72 -0.16 3.15 2.86 -0.81 -0.63 114.93 120.33 1dm9 h MET 98 Ca 0.51 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.97 1dm9 h MET 98 Cb 0.95 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.50 1dm9 h MET 98 CO -0.58 0.69 0.03 0.00 1.06 0.00 0.00 176.91 178.11 1dm9 h ALA 99 N 1.38 0.21 0.46 6.32 0.00 0.11 -1.57 119.26 126.17 1dm9 h ALA 99 Ca 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1dm9 h ALA 99 Cb 0.33 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1dm9 h ALA 99 CO 0.01 -0.13 -0.32 -0.07 0.00 0.00 0.00 179.25 178.73 1dm9 h LEU 100 N 0.04 -0.83 -1.02 0.00 -0.00 -0.43 -0.96 115.31 112.11 1dm9 h LEU 100 Ca 0.05 0.06 0.18 0.00 -0.00 0.00 0.00 57.88 58.16 1dm9 h LEU 100 Cb 0.30 0.26 -0.10 0.00 -0.00 0.00 0.00 40.66 41.12 1dm9 h LEU 100 CO 0.00 -0.49 0.62 0.00 -0.00 0.00 0.00 178.44 178.57 1dm9 h ALA 101 N -0.31 1.67 0.55 1.53 0.00 -1.13 0.17 119.26 121.75 1dm9 h ALA 101 Ca -0.05 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1dm9 h ALA 101 Cb 0.64 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1dm9 h ALA 101 CO 0.02 -0.02 -0.36 0.07 0.00 0.00 0.00 179.25 178.96 1dm9 h ARG 102 N 0.79 -0.85 -0.01 0.00 -0.00 -0.67 -0.41 114.38 113.24 1dm9 h ARG 102 Ca 0.56 0.06 0.00 0.00 -0.00 0.00 0.00 59.98 60.60 1dm9 h ARG 102 Cb 0.84 0.19 -0.00 0.00 -0.00 0.00 0.00 29.97 31.01 1dm9 h ARG 102 CO -0.36 -0.56 0.03 1.57 -0.00 0.00 0.00 179.97 180.65 1dm9 h LYS 103 N -0.88 0.00 0.11 0.08 2.10 0.28 -2.32 116.57 115.95 1dm9 h LYS 103 Ca -0.06 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.58 1dm9 h LYS 103 Cb 0.72 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.05 1dm9 h LYS 103 CO 0.05 0.00 -0.05 -0.07 -2.00 0.00 0.00 179.45 177.37 1dm9 h LEU 104 N 0.00 -0.13 -1.47 7.07 3.38 0.25 -2.80 115.31 121.61 1dm9 h LEU 104 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1dm9 h LEU 104 Cb 0.07 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1dm9 h LEU 104 CO -0.00 0.40 0.21 0.78 0.09 0.00 0.00 178.44 179.92 1dm9 h ASN 105 N -1.02 0.00 0.12 -0.43 2.35 -0.87 -0.36 115.58 115.36 1dm9 h ASN 105 Ca -0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1dm9 h ASN 105 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1dm9 h ASN 105 CO 0.03 0.00 -0.06 0.00 -1.65 0.00 0.00 177.43 175.75 1dm9 h ALA 106 N 1.49 -0.16 0.00 -0.83 0.00 -1.40 -3.26 119.26 115.10 1dm9 h ALA 106 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1dm9 h ALA 106 Cb 0.42 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1dm9 h ALA 106 CO 0.00 -0.21 0.00 1.47 0.00 0.00 0.00 179.25 180.51 1dm9 n LEU 107 N -4.86 3.02 0.00 0.00 -0.00 -0.15 -5.11 117.00 109.90 1dm9 n LEU 107 Ca -0.07 -1.42 0.00 0.00 -0.00 0.00 0.00 56.01 54.53 1dm9 n LEU 107 Cb 0.25 -0.59 0.00 0.00 -0.00 0.00 0.00 43.42 43.09 1dm9 n LEU 107 CO 0.22 0.54 0.00 0.41 -0.00 0.00 0.00 177.39 178.57