#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm0 h SER 2 N 0.00 -0.84 0.09 1.61 0.02 -2.11 -3.36 113.55 108.96 2dm0 h SER 2 Ca 0.00 0.03 -0.24 0.00 -0.84 0.00 0.00 61.79 60.74 2dm0 h SER 2 Cb 0.00 0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 2dm0 h SER 2 CO 0.00 -0.51 -1.23 0.77 -1.14 0.00 0.00 176.83 174.72 2dm0 h SER 3 N -1.16 0.28 -4.51 3.07 4.64 -2.15 -3.50 113.55 110.23 2dm0 h SER 3 Ca -0.10 -0.82 0.00 0.00 -0.47 0.00 0.00 61.79 60.40 2dm0 h SER 3 Cb 0.76 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2dm0 h SER 3 CO 0.17 1.53 -0.20 0.61 -0.87 0.00 0.00 176.83 178.07 2dm0 n GLY 4 N 1.68 -1.03 2.65 -0.77 0.00 -1.26 -5.05 105.19 101.41 2dm0 n GLY 4 Ca -0.24 0.57 -0.28 0.00 0.00 0.00 0.00 46.02 46.07 2dm0 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dm0 s SER 5 N -2.29 3.18 -0.28 1.61 0.15 -1.26 -5.11 113.70 109.70 2dm0 s SER 5 Ca 0.10 -1.07 -0.26 0.00 0.70 0.00 0.00 55.95 55.42 2dm0 s SER 5 Cb -0.03 -0.49 0.17 0.00 -1.71 0.00 0.00 66.02 63.96 2dm0 s SER 5 CO 0.50 -0.38 1.27 -0.55 1.20 0.00 0.00 173.24 175.28 2dm0 s SER 6 N 1.95 -0.19 0.00 5.45 0.15 -1.26 -5.15 113.70 114.65 2dm0 s SER 6 Ca 0.05 0.34 0.00 0.00 0.70 0.00 0.00 55.95 57.04 2dm0 s SER 6 Cb -0.17 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 2dm0 s SER 6 CO -0.20 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.76 2dm0 n GLY 7 N 1.56 0.35 3.47 9.45 0.00 -1.26 -5.18 105.19 113.59 2dm0 n GLY 7 Ca -0.10 0.46 0.01 0.00 0.00 0.00 0.00 46.02 46.40 2dm0 n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dm0 s ASN 8 N 0.00 -0.28 -0.22 1.61 0.01 -1.26 -5.18 114.94 109.62 2dm0 s ASN 8 Ca 0.00 0.41 -0.30 0.00 -0.71 0.00 0.00 52.86 52.26 2dm0 s ASN 8 Cb 0.00 1.22 0.16 0.00 0.41 0.00 0.00 41.25 43.04 2dm0 s ASN 8 CO 0.00 -0.06 1.19 -1.59 -1.51 0.00 0.00 177.10 175.13 2dm0 s LYS 9 N 1.69 0.31 0.31 -0.60 -2.85 -1.26 -5.15 119.74 112.20 2dm0 s LYS 9 Ca -0.05 0.07 -0.28 0.00 -1.00 0.00 0.00 55.97 54.71 2dm0 s LYS 9 Cb -0.03 0.15 -0.14 0.00 -2.06 0.00 0.00 37.83 35.75 2dm0 s LYS 9 CO -0.14 -0.10 1.03 -0.89 0.10 0.00 0.00 175.35 175.35 2dm0 n ILE 10 N 0.59 2.03 -3.82 3.79 5.41 -1.26 -4.94 119.36 121.16 2dm0 n ILE 10 Ca -0.05 -0.50 -0.32 0.00 1.00 0.00 0.00 62.75 62.89 2dm0 n ILE 10 Cb 0.58 -1.06 -0.11 0.00 -0.71 0.00 0.00 39.64 38.34 2dm0 n ILE 10 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2dm0 s THR 11 N -1.09 3.32 -0.19 1.39 2.01 -1.26 -5.06 115.64 114.76 2dm0 s THR 11 Ca 0.59 -3.83 -0.07 0.00 0.31 0.00 0.00 61.69 58.68 2dm0 s THR 11 Cb -0.67 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 2dm0 s THR 11 CO 0.60 -0.97 0.06 0.21 -0.69 0.00 0.00 174.62 173.83 2dm0 s ASN 12 N -0.63 5.52 -0.06 3.53 2.47 -1.26 -4.96 114.94 119.55 2dm0 s ASN 12 Ca 0.23 0.02 0.09 0.00 0.42 0.00 0.00 52.86 53.62 2dm0 s ASN 12 Cb -0.11 -1.95 -0.13 0.00 -1.45 0.00 0.00 41.25 37.60 2dm0 s ASN 12 CO -0.11 0.13 0.10 0.18 -3.72 0.00 0.00 177.10 173.69 2dm0 n LEU 13 N 3.80 0.00 -0.32 3.21 4.77 -1.26 -4.59 117.00 122.60 2dm0 n LEU 13 Ca -0.16 0.00 0.20 0.00 -0.03 0.00 0.00 56.01 56.01 2dm0 n LEU 13 Cb 0.52 0.15 0.40 0.00 -2.33 0.00 0.00 43.42 42.16 2dm0 n LEU 13 CO 0.34 0.15 1.07 -0.33 -1.33 0.00 0.00 177.39 177.29 2dm0 h GLU 14 N 0.00 0.31 -1.04 3.23 5.08 -1.93 0.56 114.58 120.79 2dm0 h GLU 14 Ca -0.16 -0.02 0.27 0.00 -1.00 0.00 0.00 59.36 58.45 2dm0 h GLU 14 Cb 1.18 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 30.27 2dm0 h GLU 14 CO 0.01 0.21 0.68 -0.84 -1.00 0.00 0.00 179.01 178.07 2dm0 h ILE 15 N 0.32 0.53 -4.22 3.13 3.07 -1.96 -3.41 117.51 114.96 2dm0 h ILE 15 Ca 0.67 -0.12 -0.47 0.00 1.55 0.00 0.00 64.86 66.49 2dm0 h ILE 15 Cb 1.44 0.15 0.13 0.00 -0.27 0.00 0.00 36.82 38.26 2dm0 h ILE 15 CO -0.60 0.06 0.30 -0.31 -1.05 0.00 0.00 178.15 176.55 2dm0 s TYR 16 N -5.42 2.58 -0.15 0.16 2.02 0.20 -5.01 117.35 111.73 2dm0 s TYR 16 Ca -0.08 0.98 0.13 0.00 -0.37 0.00 0.00 57.07 57.73 2dm0 s TYR 16 Cb 0.25 -3.28 -0.18 0.00 -0.40 0.00 0.00 41.96 38.35 2dm0 s TYR 16 CO 0.80 -2.21 0.04 -0.85 -1.57 0.00 0.00 175.55 171.76 2dm0 n GLU 17 N -3.69 1.57 0.00 -0.62 0.28 -1.26 -4.35 120.64 112.57 2dm0 n GLU 17 Ca 0.07 -0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.12 2dm0 n GLU 17 Cb 0.58 -1.38 0.37 0.00 1.43 0.00 0.00 31.44 32.44 2dm0 n GLU 17 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 177.13 174.30 2dm0 n TRP 18 N -2.56 0.00 -3.51 -1.84 4.27 -1.26 -3.25 117.44 109.29 2dm0 n TRP 18 Ca -0.24 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 52.99 2dm0 n TRP 18 Cb 0.97 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.88 2dm0 n TRP 18 CO 0.00 0.00 0.00 0.98 -2.29 0.00 0.00 177.69 176.38 2dm0 n TYR 19 N -0.75 4.21 -2.43 -2.67 9.36 -1.26 0.62 117.16 124.22 2dm0 n TYR 19 Ca 0.09 -3.95 -0.38 0.00 3.32 0.00 0.00 57.90 56.99 2dm0 n TYR 19 Cb 0.04 -1.22 -0.03 0.00 -0.63 0.00 0.00 39.34 37.50 2dm0 n TYR 19 CO 0.00 0.00 0.00 -1.01 0.22 0.00 0.00 176.86 176.07 2dm0 s HIS 20 N -1.59 2.34 -0.02 2.98 3.76 -0.48 -4.76 115.29 117.52 2dm0 s HIS 20 Ca 0.30 -0.45 -0.10 0.00 -0.15 0.00 0.00 55.06 54.65 2dm0 s HIS 20 Cb -0.05 -4.54 -0.31 0.00 1.11 0.00 0.00 32.58 28.79 2dm0 s HIS 20 CO -0.09 -1.90 0.77 0.07 -0.85 0.00 0.00 174.74 172.75 2dm0 h ARG 21 N 10.21 0.40 -2.82 1.40 0.11 -1.95 -3.35 114.38 118.38 2dm0 h ARG 21 Ca 0.16 -0.68 -0.67 0.00 0.10 0.00 0.00 59.98 58.89 2dm0 h ARG 21 Cb 1.01 0.25 -0.03 0.00 1.11 0.00 0.00 29.97 32.32 2dm0 h ARG 21 CO 1.37 1.31 3.16 -1.71 0.10 0.00 0.00 179.97 184.20 2dm0 n ASN 22 N -3.59 8.37 -3.38 0.08 2.85 -1.26 -4.58 115.26 113.74 2dm0 n ASN 22 Ca -0.21 -2.76 -0.13 0.00 -0.11 0.00 0.00 54.58 51.36 2dm0 n ASN 22 Cb 1.08 -1.48 -0.04 0.00 1.24 0.00 0.00 39.78 40.58 2dm0 n ASN 22 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 2dm0 s ILE 23 N 0.96 0.00 0.20 -1.44 -4.36 -1.26 -5.14 121.20 110.17 2dm0 s ILE 23 Ca 0.65 -1.50 0.02 0.00 -0.26 0.00 0.00 60.65 59.56 2dm0 s ILE 23 Cb 0.19 -2.58 -0.05 0.00 1.25 0.00 0.00 42.46 41.27 2dm0 s ILE 23 CO -0.07 0.00 0.02 0.28 0.24 0.00 0.00 174.94 175.40 2dm0 s THR 24 N -3.18 0.77 0.12 8.37 -1.32 -1.26 -4.86 115.64 114.28 2dm0 s THR 24 Ca 0.27 -2.00 -0.19 0.00 -1.21 0.00 0.00 61.69 58.56 2dm0 s THR 24 Cb -0.01 -2.27 -0.01 0.00 -1.51 0.00 0.00 72.50 68.70 2dm0 s THR 24 CO 0.17 -0.35 1.05 -1.14 -2.21 0.00 0.00 174.62 172.14 2dm0 n ARG 25 N -0.33 -0.27 0.06 7.08 0.63 -1.26 -0.37 116.66 122.19 2dm0 n ARG 25 Ca -0.05 1.03 -0.12 0.00 -0.92 0.00 0.00 57.85 57.79 2dm0 n ARG 25 Cb 0.64 -1.52 -0.07 0.00 0.45 0.00 0.00 32.46 31.95 2dm0 n ARG 25 CO 0.00 0.00 0.00 -0.97 -2.51 0.00 0.00 177.63 174.15 2dm0 h ASN 26 N 0.00 -1.22 -0.91 6.15 -1.24 -2.00 -2.32 115.58 114.04 2dm0 h ASN 26 Ca 0.13 0.13 0.15 0.00 0.71 0.00 0.00 56.30 57.43 2dm0 h ASN 26 Cb 0.30 0.46 -0.15 0.00 0.73 0.00 0.00 38.32 39.66 2dm0 h ASN 26 CO -0.65 -0.40 -0.36 1.56 -1.29 0.00 0.00 177.43 176.29 2dm0 h GLN 27 N -0.53 -0.03 -0.37 6.67 1.08 -1.10 0.20 115.11 121.02 2dm0 h GLN 27 Ca 0.00 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.24 2dm0 h GLN 27 Cb 0.55 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.93 2dm0 h GLN 27 CO -0.25 -0.02 -0.38 0.00 -0.95 0.00 0.00 178.83 177.23 2dm0 h ALA 28 N 1.38 -0.56 0.87 3.87 0.00 -0.63 0.47 119.26 124.65 2dm0 h ALA 28 Ca 0.34 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 2dm0 h ALA 28 Cb 0.60 1.06 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2dm0 h ALA 28 CO -0.93 -0.77 -0.47 0.93 0.00 0.00 0.00 179.25 178.01 2dm0 h GLU 29 N -0.20 -1.19 -0.27 0.00 5.08 -0.88 -3.00 114.58 114.11 2dm0 h GLU 29 Ca 0.06 0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.53 2dm0 h GLU 29 Cb 0.37 0.27 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 2dm0 h GLU 29 CO -0.46 -0.80 -0.25 1.25 -1.00 0.00 0.00 179.01 177.76 2dm0 h HIS 30 N -1.24 -0.77 -0.74 4.33 2.76 -0.36 -0.35 115.15 118.77 2dm0 h HIS 30 Ca -0.12 0.04 0.13 0.00 -2.20 0.00 0.00 60.37 58.23 2dm0 h HIS 30 Cb 0.97 0.37 -0.13 0.00 1.55 0.00 0.00 27.41 30.18 2dm0 h HIS 30 CO -0.06 -0.19 -0.24 1.28 -1.30 0.00 0.00 177.93 177.42 2dm0 n LEU 31 N -3.90 -0.37 0.09 0.26 4.77 0.16 0.10 117.00 118.11 2dm0 n LEU 31 Ca -0.01 1.28 -0.13 0.00 -0.03 0.00 0.00 56.01 57.12 2dm0 n LEU 31 Cb 0.14 -0.34 -0.07 0.00 -2.33 0.00 0.00 43.42 40.82 2dm0 n LEU 31 CO -0.02 -1.19 0.82 -0.07 -1.33 0.00 0.00 177.39 175.60 2dm0 h LEU 32 N 0.00 -0.19 -0.97 2.23 3.38 -0.97 -2.81 115.31 115.98 2dm0 h LEU 32 Ca 0.31 0.02 0.22 0.00 0.09 0.00 0.00 57.88 58.51 2dm0 h LEU 32 Cb 0.49 0.06 -0.18 0.00 0.09 0.00 0.00 40.66 41.12 2dm0 h LEU 32 CO -0.75 -0.12 -0.16 0.54 0.09 0.00 0.00 178.44 178.04 2dm0 n ARG 33 N -5.18 -0.08 -0.33 1.13 5.12 0.28 0.18 116.66 117.77 2dm0 n ARG 33 Ca -0.08 1.49 0.09 0.00 -1.93 0.00 0.00 57.85 57.43 2dm0 n ARG 33 Cb 0.11 -2.27 0.29 0.00 -1.16 0.00 0.00 32.46 29.42 2dm0 n ARG 33 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 2dm0 h GLN 34 N 0.00 0.87 -0.12 5.56 4.20 -1.19 -1.97 115.11 122.46 2dm0 h GLN 34 Ca 0.50 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 59.13 2dm0 h GLN 34 Cb 0.86 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.44 2dm0 h GLN 34 CO -0.97 0.58 -0.03 0.93 -0.67 0.00 0.00 178.83 178.66 2dm0 h GLU 35 N 0.90 0.24 -6.57 1.46 4.39 0.18 -3.47 114.58 111.70 2dm0 h GLU 35 Ca 0.48 -0.09 -0.51 0.00 0.34 0.00 0.00 59.36 59.58 2dm0 h GLU 35 Cb 0.57 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 2dm0 h GLU 35 CO -0.25 0.54 -0.94 0.45 -1.16 0.00 0.00 179.01 177.65 2dm0 n SER 36 N -4.73 -2.27 -3.66 1.42 2.88 -0.60 -4.97 113.62 101.69 2dm0 n SER 36 Ca -0.06 -1.10 -0.07 0.00 -1.33 0.00 0.00 58.87 56.31 2dm0 n SER 36 Cb 0.25 -2.71 -0.08 0.00 -0.75 0.00 0.00 64.21 60.92 2dm0 n SER 36 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2dm0 s LYS 37 N -6.66 0.46 -0.28 -1.46 -2.85 -1.26 -5.12 119.74 102.57 2dm0 s LYS 37 Ca 0.23 1.13 -0.41 0.00 -1.00 0.00 0.00 55.97 55.91 2dm0 s LYS 37 Cb -0.10 0.38 -0.17 0.00 -2.06 0.00 0.00 37.83 35.88 2dm0 s LYS 37 CO 0.91 -0.21 1.64 -1.91 0.10 0.00 0.00 175.35 175.88 2dm0 n GLU 38 N 5.03 0.82 0.00 1.78 2.13 -1.26 -2.14 120.64 127.01 2dm0 n GLU 38 Ca -0.14 0.30 0.00 0.00 0.66 0.00 0.00 57.16 57.98 2dm0 n GLU 38 Cb 0.52 -1.93 0.00 0.00 0.27 0.00 0.00 31.44 30.30 2dm0 n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dm0 n GLY 39 N 3.86 3.70 3.36 8.31 0.00 -1.22 -4.59 105.19 118.60 2dm0 n GLY 39 Ca 0.26 -1.00 -0.53 0.00 0.00 0.00 0.00 46.02 44.76 2dm0 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dm0 n ALA 40 N 0.00 0.38 -2.31 4.61 0.00 -0.91 -3.66 120.51 118.61 2dm0 n ALA 40 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 53.44 53.26 2dm0 n ALA 40 Cb 0.00 -2.24 -0.10 0.00 0.00 0.00 0.00 19.45 17.11 2dm0 n ALA 40 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2dm0 s PHE 41 N 7.22 1.50 0.13 0.00 -0.71 -1.21 0.36 117.98 125.27 2dm0 s PHE 41 Ca 1.22 -0.87 -0.24 0.00 -1.04 0.00 0.00 56.93 56.01 2dm0 s PHE 41 Cb -1.30 -0.84 0.07 0.00 -1.21 0.00 0.00 43.02 39.74 2dm0 s PHE 41 CO 0.58 0.01 0.67 0.96 -1.34 0.00 0.00 175.22 176.09 2dm0 s ILE 42 N -3.37 0.00 -0.30 -4.49 -4.36 -1.14 -3.48 121.20 104.06 2dm0 s ILE 42 Ca 0.25 -0.05 0.03 0.00 -0.26 0.00 0.00 60.65 60.62 2dm0 s ILE 42 Cb 0.05 -1.06 0.08 0.00 1.25 0.00 0.00 42.46 42.78 2dm0 s ILE 42 CO 0.07 0.00 -0.03 -0.69 0.24 0.00 0.00 174.94 174.52 2dm0 s VAL 43 N -3.63 2.18 0.35 8.37 1.01 0.20 -1.63 120.40 127.26 2dm0 s VAL 43 Ca 0.02 -1.94 0.07 0.00 0.00 0.00 0.00 61.98 60.13 2dm0 s VAL 43 Cb -0.01 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 2dm0 s VAL 43 CO -0.11 -0.29 0.48 0.00 0.00 0.00 0.00 175.10 175.18 2dm0 s ARG 44 N 1.03 3.04 0.31 2.72 1.70 -0.12 -1.39 118.95 126.24 2dm0 s ARG 44 Ca 0.00 -1.08 -0.10 0.00 -0.47 0.00 0.00 55.73 54.08 2dm0 s ARG 44 Cb -0.19 -2.79 -0.07 0.00 -0.57 0.00 0.00 34.95 31.33 2dm0 s ARG 44 CO -0.07 -0.00 0.66 -0.51 -1.08 0.00 0.00 175.30 174.30 2dm0 s ASP 45 N -4.20 6.60 -1.07 -2.89 1.11 -1.26 -1.75 116.67 113.21 2dm0 s ASP 45 Ca 0.47 1.04 -0.16 0.00 0.18 0.00 0.00 52.55 54.07 2dm0 s ASP 45 Cb -0.09 -2.28 0.15 0.00 1.07 0.00 0.00 42.92 41.77 2dm0 s ASP 45 CO 0.31 -0.22 1.29 -0.44 1.18 0.00 0.00 175.17 177.29 2dm0 s SER 46 N -2.70 6.85 0.44 0.27 0.01 -0.77 -4.80 113.70 113.00 2dm0 s SER 46 Ca 0.50 -2.52 0.40 0.00 1.31 0.00 0.00 55.95 55.64 2dm0 s SER 46 Cb -0.11 -2.40 1.38 0.00 0.21 0.00 0.00 66.02 65.10 2dm0 s SER 46 CO 0.24 -0.91 1.25 0.54 0.41 0.00 0.00 173.24 174.77 2dm0 n ARG 47 N 6.15 -0.00 0.25 12.44 5.12 -1.26 0.11 116.66 139.47 2dm0 n ARG 47 Ca 0.31 0.87 -0.10 0.00 -1.93 0.00 0.00 57.85 57.00 2dm0 n ARG 47 Cb 0.46 -2.00 -0.05 0.00 -1.16 0.00 0.00 32.46 29.71 2dm0 n ARG 47 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2dm0 h HIS 48 N 0.00 -0.61 -3.67 -1.55 -0.00 -1.97 -3.48 115.15 103.87 2dm0 h HIS 48 Ca 0.75 -0.01 -0.26 0.00 -0.00 0.00 0.00 60.37 60.85 2dm0 h HIS 48 Cb 3.00 0.20 -0.06 0.00 -0.00 0.00 0.00 27.41 30.55 2dm0 h HIS 48 CO -0.00 -0.38 -0.24 1.28 -0.00 0.00 0.00 177.93 178.60 2dm0 n LEU 49 N -4.11 0.00 -2.07 0.26 4.77 0.12 -5.02 117.00 110.95 2dm0 n LEU 49 Ca -0.08 -1.59 -0.08 0.00 -0.03 0.00 0.00 56.01 54.23 2dm0 n LEU 49 Cb 0.26 0.69 -0.12 0.00 -2.33 0.00 0.00 43.42 41.92 2dm0 n LEU 49 CO 0.20 -0.25 1.28 0.61 -1.33 0.00 0.00 177.39 177.89 2dm0 n GLY 50 N 0.18 2.45 3.41 -0.72 0.00 -1.26 -4.02 105.19 105.23 2dm0 n GLY 50 Ca 0.01 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 44.98 2dm0 n GLY 50 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dm0 n SER 51 N 2.52 2.48 -4.03 1.61 2.88 -1.26 -4.98 113.62 112.84 2dm0 n SER 51 Ca 0.29 -2.65 -0.16 0.00 -1.33 0.00 0.00 58.87 55.02 2dm0 n SER 51 Cb 0.66 -0.08 -0.13 0.00 -0.75 0.00 0.00 64.21 63.91 2dm0 n SER 51 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2dm0 s TYR 52 N -2.41 0.69 -0.01 0.66 2.02 -1.26 -1.84 117.35 115.21 2dm0 s TYR 52 Ca 0.31 -0.28 0.02 0.00 -0.37 0.00 0.00 57.07 56.75 2dm0 s TYR 52 Cb -0.02 -0.42 -0.01 0.00 -0.40 0.00 0.00 41.96 41.11 2dm0 s TYR 52 CO 0.20 -0.03 -0.08 0.99 -1.57 0.00 0.00 175.55 175.06 2dm0 s THR 53 N -0.69 0.63 -0.03 -0.71 2.01 -0.72 0.15 115.64 116.28 2dm0 s THR 53 Ca -0.02 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 61.64 2dm0 s THR 53 Cb -0.06 -0.53 -0.04 0.00 0.01 0.00 0.00 72.50 71.88 2dm0 s THR 53 CO 0.00 0.18 0.01 -0.63 -0.69 0.00 0.00 174.62 173.49 2dm0 s ILE 54 N -0.17 4.26 -0.32 1.82 1.01 0.70 -0.95 121.20 127.55 2dm0 s ILE 54 Ca 0.03 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.22 2dm0 s ILE 54 Cb -0.03 -2.87 0.10 0.00 0.01 0.00 0.00 42.46 39.67 2dm0 s ILE 54 CO -0.00 0.44 0.07 -0.44 0.00 0.00 0.00 174.94 175.01 2dm0 s SER 55 N -1.37 4.42 -0.08 3.58 0.01 -0.65 -0.48 113.70 119.13 2dm0 s SER 55 Ca 0.18 -1.90 -0.13 0.00 1.31 0.00 0.00 55.95 55.41 2dm0 s SER 55 Cb -0.11 -1.28 -0.05 0.00 0.21 0.00 0.00 66.02 64.78 2dm0 s SER 55 CO 0.08 -0.39 0.33 -0.69 0.41 0.00 0.00 173.24 172.98 2dm0 s VAL 56 N 1.23 5.21 -0.85 3.43 1.01 -1.11 -2.89 120.40 126.43 2dm0 s VAL 56 Ca 0.10 0.65 -0.22 0.00 0.00 0.00 0.00 61.98 62.51 2dm0 s VAL 56 Cb -0.18 -3.64 0.08 0.00 0.00 0.00 0.00 36.38 32.63 2dm0 s VAL 56 CO -0.15 0.51 1.19 0.12 0.00 0.00 0.00 175.10 176.76 2dm0 s PHE 57 N -0.47 2.72 0.06 5.22 2.19 0.16 -1.55 117.98 126.30 2dm0 s PHE 57 Ca 0.20 -0.81 -0.22 0.00 0.33 0.00 0.00 56.93 56.43 2dm0 s PHE 57 Cb -0.15 -4.45 -0.13 0.00 -1.31 0.00 0.00 43.02 36.99 2dm0 s PHE 57 CO 0.09 -1.74 1.51 0.52 1.83 0.00 0.00 175.22 177.43 2dm0 h MET 58 N 9.47 0.20 0.00 10.12 2.86 0.18 -3.24 114.93 134.52 2dm0 h MET 58 Ca -0.02 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2dm0 h MET 58 Cb 1.04 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.67 2dm0 h MET 58 CO 1.24 0.41 0.00 0.41 1.06 0.00 0.00 176.91 180.03 2dm0 n GLY 59 N -0.39 -0.30 3.59 8.32 0.00 0.30 -4.64 105.19 112.06 2dm0 n GLY 59 Ca -0.06 -1.39 -0.30 0.00 0.00 0.00 0.00 46.02 44.27 2dm0 n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dm0 s ALA 60 N -1.59 0.56 -0.87 4.61 0.00 -1.25 -4.32 121.76 118.90 2dm0 s ALA 60 Ca 0.00 -0.90 -0.24 0.00 0.00 0.00 0.00 51.96 50.81 2dm0 s ALA 60 Cb 0.00 -2.90 0.05 0.00 0.00 0.00 0.00 23.12 20.27 2dm0 s ALA 60 CO 0.00 -3.59 1.31 1.03 0.00 0.00 0.00 175.76 174.51 2dm0 s ARG 61 N -5.36 3.39 -1.54 0.00 1.81 -1.26 -4.31 118.95 111.67 2dm0 s ARG 61 Ca 0.70 -0.79 -0.11 0.00 -1.72 0.00 0.00 55.73 53.82 2dm0 s ARG 61 Cb -0.10 -4.75 0.11 0.00 -0.45 0.00 0.00 34.95 29.76 2dm0 s ARG 61 CO 0.56 -2.11 0.26 0.54 -0.68 0.00 0.00 175.30 173.87 2dm0 n ARG 62 N 8.79 -0.84 -4.21 3.54 5.12 -1.26 -4.89 116.66 122.90 2dm0 n ARG 62 Ca 0.17 0.10 -0.12 0.00 -1.93 0.00 0.00 57.85 56.07 2dm0 n ARG 62 Cb 0.50 -3.71 -0.10 0.00 -1.16 0.00 0.00 32.46 27.98 2dm0 n ARG 62 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2dm0 s SER 63 N -3.64 1.16 0.61 0.55 0.01 -1.26 -5.03 113.70 106.10 2dm0 s SER 63 Ca 0.37 -1.10 0.33 0.00 1.31 0.00 0.00 55.95 56.86 2dm0 s SER 63 Cb -0.22 0.11 1.96 0.00 0.21 0.00 0.00 66.02 68.09 2dm0 s SER 63 CO 0.91 -0.53 2.28 0.71 0.41 0.00 0.00 173.24 177.02 2dm0 h THR 64 N 2.81 0.41 -2.69 1.44 1.35 -1.96 -3.43 112.91 110.84 2dm0 h THR 64 Ca -0.36 0.00 -0.34 0.00 -0.55 0.00 0.00 66.41 65.16 2dm0 h THR 64 Cb 1.19 1.00 0.19 0.00 -1.73 0.00 0.00 68.15 68.80 2dm0 h THR 64 CO 0.63 0.00 -0.20 -0.62 -0.25 0.00 0.00 175.52 175.08 2dm0 n GLU 65 N -3.68 -3.92 -3.90 4.72 1.02 -1.26 -4.99 120.64 108.64 2dm0 n GLU 65 Ca -0.03 -1.16 -0.11 0.00 -0.02 0.00 0.00 57.16 55.85 2dm0 n GLU 65 Cb 0.08 -1.83 -0.11 0.00 -0.02 0.00 0.00 31.44 29.57 2dm0 n GLU 65 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dm0 s ALA 66 N -2.13 -0.16 -0.12 0.62 0.00 -1.26 -3.95 121.76 114.76 2dm0 s ALA 66 Ca 0.59 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.39 2dm0 s ALA 66 Cb -0.12 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.07 2dm0 s ALA 66 CO 0.52 -0.15 -0.15 0.00 0.00 0.00 0.00 175.76 175.98 2dm0 s ALA 67 N -1.03 1.73 -0.06 0.00 0.00 -1.26 -4.56 121.76 116.58 2dm0 s ALA 67 Ca -0.11 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.08 2dm0 s ALA 67 Cb -0.07 -0.91 0.02 0.00 0.00 0.00 0.00 23.12 22.17 2dm0 s ALA 67 CO 0.00 -0.19 -0.06 0.42 0.00 0.00 0.00 175.76 175.94 2dm0 s ILE 68 N 1.18 0.69 0.23 0.00 1.01 -1.26 0.19 121.20 123.24 2dm0 s ILE 68 Ca -0.02 -0.18 0.06 0.00 0.00 0.00 0.00 60.65 60.51 2dm0 s ILE 68 Cb -0.14 -0.72 -0.03 0.00 0.01 0.00 0.00 42.46 41.58 2dm0 s ILE 68 CO -0.05 0.28 0.26 -0.54 0.00 0.00 0.00 174.94 174.89 2dm0 s LYS 69 N 1.14 3.17 -0.24 2.79 3.01 -0.59 -4.94 119.74 124.08 2dm0 s LYS 69 Ca -0.07 -0.87 0.01 0.00 -1.01 0.00 0.00 55.97 54.03 2dm0 s LYS 69 Cb -0.14 -2.74 0.06 0.00 -1.01 0.00 0.00 37.83 34.00 2dm0 s LYS 69 CO -0.01 0.44 -0.07 -1.01 0.51 0.00 0.00 175.35 175.20 2dm0 s HIS 70 N -1.99 2.58 -0.30 3.18 3.76 -1.26 -2.74 115.29 118.52 2dm0 s HIS 70 Ca 0.33 -1.86 -0.09 0.00 -0.15 0.00 0.00 55.06 53.29 2dm0 s HIS 70 Cb -0.09 -1.65 -0.01 0.00 1.11 0.00 0.00 32.58 31.93 2dm0 s HIS 70 CO 0.27 -0.79 0.14 0.71 -0.85 0.00 0.00 174.74 174.21 2dm0 s TYR 71 N 1.34 3.17 -0.24 1.40 2.02 0.37 -4.94 117.35 120.45 2dm0 s TYR 71 Ca -0.06 -0.49 -0.25 0.00 -0.37 0.00 0.00 57.07 55.89 2dm0 s TYR 71 Cb -0.19 -2.34 -0.00 0.00 -0.40 0.00 0.00 41.96 39.03 2dm0 s TYR 71 CO -0.06 -0.42 0.85 -1.14 -1.57 0.00 0.00 175.55 173.21 2dm0 s GLN 72 N 1.62 4.19 -0.71 -0.62 0.74 -1.26 -0.22 119.66 123.41 2dm0 s GLN 72 Ca 0.05 0.99 -0.27 0.00 0.05 0.00 0.00 55.36 56.18 2dm0 s GLN 72 Cb -0.17 -3.64 0.02 0.00 1.10 0.00 0.00 33.01 30.32 2dm0 s GLN 72 CO 0.06 -0.53 1.42 0.42 -0.55 0.00 0.00 175.29 176.12 2dm0 s ILE 73 N 2.87 3.63 0.61 -2.34 1.01 0.12 -4.79 121.20 122.31 2dm0 s ILE 73 Ca 0.36 0.36 0.06 0.00 0.00 0.00 0.00 60.65 61.43 2dm0 s ILE 73 Cb -0.15 -4.68 0.09 0.00 0.01 0.00 0.00 42.46 37.73 2dm0 s ILE 73 CO 0.07 -1.62 0.84 -0.54 0.00 0.00 0.00 174.94 173.69 2dm0 s LYS 74 N 6.05 2.15 -0.10 2.79 1.02 -1.10 -4.23 119.74 126.31 2dm0 s LYS 74 Ca 0.43 -1.43 0.03 0.00 0.02 0.00 0.00 55.97 55.02 2dm0 s LYS 74 Cb -0.09 -2.55 -0.01 0.00 -0.52 0.00 0.00 37.83 34.66 2dm0 s LYS 74 CO 0.16 -1.00 -0.19 0.21 -0.92 0.00 0.00 175.35 173.61 2dm0 s LYS 75 N -4.80 3.07 0.56 1.68 2.20 -1.26 -1.99 119.74 119.21 2dm0 s LYS 75 Ca 0.63 -0.79 -0.09 0.00 -0.36 0.00 0.00 55.97 55.35 2dm0 s LYS 75 Cb -0.06 -2.42 0.13 0.00 -1.51 0.00 0.00 37.83 33.97 2dm0 s LYS 75 CO 0.40 0.26 0.62 0.27 -0.36 0.00 0.00 175.35 176.54 2dm0 n ASN 76 N 3.34 -0.75 0.07 1.43 0.23 -0.00 -4.86 115.26 114.72 2dm0 n ASN 76 Ca -0.18 -1.04 -0.02 0.00 -0.53 0.00 0.00 54.58 52.81 2dm0 n ASN 76 Cb 0.53 -0.51 0.25 0.00 -2.08 0.00 0.00 39.78 37.96 2dm0 n ASN 76 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2dm0 h ASP 77 N -1.38 0.32 0.62 0.53 3.32 -2.00 -2.15 116.42 115.67 2dm0 h ASP 77 Ca -0.21 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.72 2dm0 h ASP 77 Cb 0.62 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2dm0 h ASP 77 CO 0.15 0.62 0.00 -1.20 -1.72 0.00 0.00 179.24 177.08 2dm0 n SER 78 N -4.11 0.01 -0.14 6.45 7.64 -1.26 -4.87 113.62 117.34 2dm0 n SER 78 Ca -0.01 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.37 2dm0 n SER 78 Cb 0.41 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 2dm0 n SER 78 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dm0 n GLY 79 N 0.36 0.84 3.52 0.23 0.00 -0.81 -5.08 105.19 104.25 2dm0 n GLY 79 Ca 0.04 -0.61 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 2dm0 n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dm0 s GLN 80 N -3.45 1.85 0.29 1.61 -1.52 -1.26 -4.87 119.66 112.31 2dm0 s GLN 80 Ca 0.00 -1.61 -0.23 0.00 -1.95 0.00 0.00 55.36 51.57 2dm0 s GLN 80 Cb 0.00 -1.91 -0.09 0.00 -0.22 0.00 0.00 33.01 30.79 2dm0 s GLN 80 CO 0.00 0.35 0.85 -1.58 -0.25 0.00 0.00 175.29 174.67 2dm0 s TRP 81 N -2.31 3.64 0.03 0.91 0.52 -1.14 -0.82 118.94 119.76 2dm0 s TRP 81 Ca 0.29 1.60 -0.26 0.00 0.02 0.00 0.00 56.10 57.76 2dm0 s TRP 81 Cb -0.06 -2.79 0.06 0.00 -1.15 0.00 0.00 33.47 29.53 2dm0 s TRP 81 CO 0.16 0.23 0.59 1.52 0.02 0.00 0.00 176.95 179.47 2dm0 s TYR 82 N -1.64 -0.53 0.02 -1.98 -0.85 -0.84 -1.37 117.35 110.16 2dm0 s TYR 82 Ca 0.48 0.70 0.00 0.00 -0.52 0.00 0.00 57.07 57.73 2dm0 s TYR 82 Cb -0.17 0.40 0.00 0.00 0.38 0.00 0.00 41.96 42.57 2dm0 s TYR 82 CO 0.22 -0.66 0.00 0.28 -1.52 0.00 0.00 175.55 173.87 2dm0 n VAL 83 N 0.48 0.20 1.01 -3.49 0.31 -1.26 -2.72 118.33 112.86 2dm0 n VAL 83 Ca -0.18 0.07 0.02 0.00 -0.01 0.00 0.00 64.34 64.23 2dm0 n VAL 83 Cb 0.60 -1.44 0.08 0.00 -0.91 0.00 0.00 33.84 32.17 2dm0 n VAL 83 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dm0 n ALA 84 N -3.05 2.65 -2.28 3.52 0.00 -1.26 -4.85 120.51 115.24 2dm0 n ALA 84 Ca 0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 53.44 53.05 2dm0 n ALA 84 Cb 0.38 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.82 2dm0 n ALA 84 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2dm0 n GLU 85 N 0.05 -2.45 0.00 0.00 2.13 -1.26 -4.57 120.64 114.53 2dm0 n GLU 85 Ca 0.05 0.25 0.00 0.00 0.66 0.00 0.00 57.16 58.12 2dm0 n GLU 85 Cb 0.31 -4.72 0.00 0.00 0.27 0.00 0.00 31.44 27.29 2dm0 n GLU 85 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2dm0 n ARG 86 N -2.43 1.02 -4.32 5.31 5.12 -1.26 -5.06 116.66 115.05 2dm0 n ARG 86 Ca -0.06 0.00 -0.28 0.00 -1.93 0.00 0.00 57.85 55.58 2dm0 n ARG 86 Cb 0.49 -0.67 -0.17 0.00 -1.16 0.00 0.00 32.46 30.95 2dm0 n ARG 86 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 2dm0 s HIS 87 N -1.33 1.85 0.40 -1.55 3.76 -1.26 -5.13 115.29 112.02 2dm0 s HIS 87 Ca 0.00 -0.88 0.08 0.00 -0.15 0.00 0.00 55.06 54.10 2dm0 s HIS 87 Cb 0.00 -1.37 -0.04 0.00 1.11 0.00 0.00 32.58 32.28 2dm0 s HIS 87 CO 0.00 -0.48 0.22 0.00 -0.85 0.00 0.00 174.74 173.62 2dm0 s ALA 88 N 1.14 3.68 0.22 -1.40 0.00 -1.26 -4.19 121.76 119.94 2dm0 s ALA 88 Ca -0.04 -1.99 -0.04 0.00 0.00 0.00 0.00 51.96 49.89 2dm0 s ALA 88 Cb -0.14 -0.61 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 2dm0 s ALA 88 CO -0.03 -0.13 0.23 -0.06 0.00 0.00 0.00 175.76 175.76 2dm0 s PHE 89 N -2.53 0.96 -0.34 0.00 0.40 -0.47 -4.96 117.98 111.04 2dm0 s PHE 89 Ca 0.42 -1.21 0.22 0.00 -0.60 0.00 0.00 56.93 55.76 2dm0 s PHE 89 Cb 0.01 -0.36 -0.10 0.00 0.51 0.00 0.00 43.02 43.08 2dm0 s PHE 89 CO 0.24 -0.75 0.86 1.04 0.70 0.00 0.00 175.22 177.31 2dm0 n GLN 90 N -0.31 0.48 -4.00 0.44 6.02 -1.26 -2.88 117.38 115.87 2dm0 n GLN 90 Ca 0.01 -0.03 -0.10 0.00 -0.01 0.00 0.00 57.00 56.87 2dm0 n GLN 90 Cb 0.65 -1.64 -0.11 0.00 1.02 0.00 0.00 30.24 30.16 2dm0 n GLN 90 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2dm0 s SER 91 N -4.49 0.40 0.12 1.08 0.01 -1.26 -4.94 113.70 104.62 2dm0 s SER 91 Ca -0.01 -0.48 -0.20 0.00 1.31 0.00 0.00 55.95 56.58 2dm0 s SER 91 Cb 0.13 0.07 -0.07 0.00 0.21 0.00 0.00 66.02 66.36 2dm0 s SER 91 CO 0.83 -0.25 1.76 0.40 0.41 0.00 0.00 173.24 176.40 2dm0 h ILE 92 N 4.64 1.06 0.00 1.44 1.08 -1.98 -1.61 117.51 122.14 2dm0 h ILE 92 Ca -0.32 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.01 2dm0 h ILE 92 Cb 1.21 0.79 0.00 0.00 -3.07 0.00 0.00 36.82 35.74 2dm0 h ILE 92 CO 0.42 0.06 0.00 -0.81 -0.69 0.00 0.00 178.15 177.13 2dm0 n PRO 93 N -4.94 0.49 -0.10 2.37 -0.04 -1.26 -2.65 135.00 128.87 2dm0 n PRO 93 Ca -0.03 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.24 2dm0 n PRO 93 Cb 0.03 -1.47 -0.12 0.00 -0.04 0.00 0.00 33.50 31.90 2dm0 n PRO 93 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2dm0 n GLU 94 N -0.97 0.67 -0.16 0.54 -0.58 -0.63 -3.50 120.64 116.01 2dm0 n GLU 94 Ca 0.11 0.17 0.07 0.00 -0.42 0.00 0.00 57.16 57.09 2dm0 n GLU 94 Cb 0.05 -1.56 0.37 0.00 -0.57 0.00 0.00 31.44 29.73 2dm0 n GLU 94 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2dm0 h LEU 95 N 0.02 0.62 0.00 -4.62 6.46 -1.26 -0.95 115.31 115.58 2dm0 h LEU 95 Ca -0.55 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.19 2dm0 h LEU 95 Cb 1.94 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 41.73 2dm0 h LEU 95 CO -0.05 0.41 -0.68 0.40 -0.62 0.00 0.00 178.44 177.90 2dm0 h ILE 96 N 0.71 0.15 -0.23 4.05 1.08 -1.76 -3.05 117.51 118.46 2dm0 h ILE 96 Ca 0.29 -1.24 0.06 0.00 -0.39 0.00 0.00 64.86 63.58 2dm0 h ILE 96 Cb 0.25 1.82 -0.06 0.00 -3.07 0.00 0.00 36.82 35.75 2dm0 h ILE 96 CO -0.09 0.08 -0.20 -0.25 -0.69 0.00 0.00 178.15 177.00 2dm0 h TRP 97 N 0.00 -0.51 0.00 1.37 -0.00 -1.21 -1.10 115.95 114.51 2dm0 h TRP 97 Ca -0.02 0.03 -0.11 0.00 -0.00 0.00 0.00 58.89 58.79 2dm0 h TRP 97 Cb 1.11 0.26 -0.02 0.00 -0.00 0.00 0.00 29.16 30.52 2dm0 h TRP 97 CO 0.00 -0.27 -0.63 1.88 -0.00 0.00 0.00 178.44 179.42 2dm0 h TYR 98 N -0.20 0.00 -1.16 2.65 -1.99 -1.70 -3.35 116.97 111.22 2dm0 h TYR 98 Ca 0.13 0.00 0.42 0.00 2.00 0.00 0.00 58.73 61.29 2dm0 h TYR 98 Cb 0.40 0.00 -0.16 0.00 2.00 0.00 0.00 36.73 38.98 2dm0 h TYR 98 CO -0.35 1.10 0.69 0.45 -0.00 0.00 0.00 178.16 180.05 2dm0 h HIS 99 N -1.00 0.70 -0.99 4.88 3.86 -1.55 0.29 115.15 121.34 2dm0 h HIS 99 Ca -0.16 0.03 0.32 0.00 -1.16 0.00 0.00 60.37 59.39 2dm0 h HIS 99 Cb 1.05 -0.17 -0.18 0.00 1.06 0.00 0.00 27.41 29.17 2dm0 h HIS 99 CO 0.14 -0.34 0.18 1.04 0.86 0.00 0.00 177.93 179.81 2dm0 n GLN 100 N -4.99 -0.07 -0.10 2.45 1.13 -0.42 -1.40 117.38 113.97 2dm0 n GLN 100 Ca 0.38 1.45 -0.16 0.00 -1.94 0.00 0.00 57.00 56.72 2dm0 n GLN 100 Cb 1.35 -2.39 -0.13 0.00 0.11 0.00 0.00 30.24 29.18 2dm0 n GLN 100 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 2dm0 n HIS 101 N -5.41 0.19 -3.14 1.08 -0.00 0.91 -2.95 115.22 105.90 2dm0 n HIS 101 Ca 0.28 0.05 -0.39 0.00 0.46 0.00 0.00 57.72 58.11 2dm0 n HIS 101 Cb 0.92 -1.03 -0.05 0.00 -0.12 0.00 0.00 29.99 29.71 2dm0 n HIS 101 CO 0.00 0.00 0.00 -0.80 0.46 0.00 0.00 176.34 176.00 2dm0 s ASN 102 N -6.36 6.78 0.00 0.26 0.02 -0.49 -4.94 114.94 110.20 2dm0 s ASN 102 Ca -0.27 0.94 -0.03 0.00 -1.02 0.00 0.00 52.86 52.47 2dm0 s ASN 102 Cb 0.08 -2.35 -0.14 0.00 0.02 0.00 0.00 41.25 38.86 2dm0 s ASN 102 CO 0.67 -0.16 2.73 0.00 0.02 0.00 0.00 177.10 180.37 2dm0 n ALA 103 N 4.33 5.06 -1.08 0.60 0.00 -1.26 -4.20 120.51 123.96 2dm0 n ALA 103 Ca -0.03 -0.94 -0.45 0.00 0.00 0.00 0.00 53.44 52.02 2dm0 n ALA 103 Cb 0.51 -1.74 -0.08 0.00 0.00 0.00 0.00 19.45 18.14 2dm0 n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dm0 n ALA 104 N 2.07 -0.47 -0.16 0.00 0.00 -1.26 -3.20 120.51 117.49 2dm0 n ALA 104 Ca 0.22 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.92 2dm0 n ALA 104 Cb 0.69 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.74 2dm0 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dm0 n GLY 105 N 3.89 1.90 1.74 0.00 0.00 -1.26 -4.68 105.19 106.78 2dm0 n GLY 105 Ca 0.29 0.06 -0.14 0.00 0.00 0.00 0.00 46.02 46.23 2dm0 n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dm0 n LEU 106 N 0.00 0.00 -0.12 0.99 7.99 -1.19 -5.00 117.00 119.67 2dm0 n LEU 106 Ca 0.00 -0.41 -0.20 0.00 -0.01 0.00 0.00 56.01 55.39 2dm0 n LEU 106 Cb 0.00 -0.51 -0.10 0.00 -0.11 0.00 0.00 43.42 42.69 2dm0 n LEU 106 CO 0.00 -2.14 -1.32 0.80 -1.51 0.00 0.00 177.39 173.22 2dm0 n MET 107 N -3.14 0.58 -2.00 3.23 1.56 -1.26 -4.73 117.12 111.36 2dm0 n MET 107 Ca 0.06 0.17 -0.41 0.00 -0.27 0.00 0.00 57.70 57.26 2dm0 n MET 107 Cb 0.28 -1.45 -0.02 0.00 2.15 0.00 0.00 33.22 34.18 2dm0 n MET 107 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 2dm0 s THR 108 N -2.47 2.58 0.39 1.12 2.01 -1.26 -4.74 115.64 113.26 2dm0 s THR 108 Ca -0.33 0.52 0.08 0.00 0.31 0.00 0.00 61.69 62.26 2dm0 s THR 108 Cb 0.10 -3.33 -0.05 0.00 0.01 0.00 0.00 72.50 69.23 2dm0 s THR 108 CO 0.52 0.10 0.12 -0.13 -0.69 0.00 0.00 174.62 174.53 2dm0 s ARG 109 N -0.91 2.18 -0.38 4.92 0.52 -1.26 -4.81 118.95 119.20 2dm0 s ARG 109 Ca 0.56 -1.82 -0.23 0.00 -0.52 0.00 0.00 55.73 53.73 2dm0 s ARG 109 Cb -0.42 -1.95 0.01 0.00 0.52 0.00 0.00 34.95 33.11 2dm0 s ARG 109 CO 0.48 -0.03 0.76 -0.51 0.02 0.00 0.00 175.30 176.03 2dm0 s LEU 110 N -3.83 4.18 -0.08 2.53 1.43 -1.15 -3.96 118.68 117.79 2dm0 s LEU 110 Ca 0.39 0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 53.66 2dm0 s LEU 110 Cb 0.03 -2.97 -0.03 0.00 0.03 0.00 0.00 46.19 43.24 2dm0 s LEU 110 CO 0.21 -0.76 -0.10 0.54 0.23 0.00 0.00 176.35 176.48 2dm0 n ARG 111 N 6.43 0.16 -3.47 1.70 1.74 -1.24 -4.54 116.66 117.44 2dm0 n ARG 111 Ca 0.02 0.07 -0.43 0.00 -0.77 0.00 0.00 57.85 56.74 2dm0 n ARG 111 Cb 0.48 -0.78 -0.06 0.00 -1.02 0.00 0.00 32.46 31.09 2dm0 n ARG 111 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2dm0 s TYR 112 N -2.14 3.55 -1.18 -1.55 1.51 -1.26 -4.98 117.35 111.30 2dm0 s TYR 112 Ca -0.11 -2.08 -0.23 0.00 -1.01 0.00 0.00 57.07 53.65 2dm0 s TYR 112 Cb 0.04 -3.59 -0.09 0.00 -0.11 0.00 0.00 41.96 38.21 2dm0 s TYR 112 CO 0.13 -0.96 1.94 -1.25 -1.11 0.00 0.00 175.55 174.30 2dm0 s PRO 113 N 0.51 2.49 -0.19 -1.71 0.04 -1.26 -3.32 135.00 131.55 2dm0 s PRO 113 Ca 0.13 -1.14 -0.31 0.00 0.04 0.00 0.00 61.00 59.72 2dm0 s PRO 113 Cb -0.18 -5.24 -0.14 0.00 0.04 0.00 0.00 34.50 28.98 2dm0 s PRO 113 CO -0.04 -3.98 0.96 0.28 0.04 0.00 0.00 177.00 174.25 2dm0 n VAL 114 N 7.81 0.00 -1.97 -0.36 0.31 -1.23 -4.74 118.33 118.16 2dm0 n VAL 114 Ca 0.45 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.48 2dm0 n VAL 114 Cb 0.47 -0.19 0.02 0.00 -0.91 0.00 0.00 33.84 33.22 2dm0 n VAL 114 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2dm0 s GLY 115 N 1.16 1.63 0.04 2.92 0.00 -1.26 -4.01 107.32 107.80 2dm0 s GLY 115 Ca 0.70 -0.25 -0.32 0.00 0.00 0.00 0.00 44.72 44.85 2dm0 s GLY 115 CO 0.50 0.04 1.33 1.41 0.00 0.00 0.00 173.10 176.39 2dm0 h LEU 116 N -0.39 -0.97 -0.47 0.66 3.38 -1.89 -3.26 115.31 112.38 2dm0 h LEU 116 Ca -0.45 0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.60 2dm0 h LEU 116 Cb 1.22 0.25 -0.06 0.00 0.09 0.00 0.00 40.66 42.16 2dm0 h LEU 116 CO 0.63 -0.62 -0.28 0.23 0.09 0.00 0.00 178.44 178.48 2dm0 n MET 117 N -5.46 -0.21 0.00 1.13 2.81 -1.26 -4.54 117.12 109.59 2dm0 n MET 117 Ca -0.14 0.94 0.00 0.00 -1.81 0.00 0.00 57.70 56.69 2dm0 n MET 117 Cb 0.45 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.57 2dm0 n MET 117 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2dm0 n GLY 118 N -1.12 0.65 3.64 3.03 0.00 -1.23 -4.57 105.19 105.59 2dm0 n GLY 118 Ca 0.01 0.74 -0.05 0.00 0.00 0.00 0.00 46.02 46.71 2dm0 n GLY 118 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dm0 s SER 119 N -4.00 -0.20 -0.22 1.61 1.04 -1.26 -5.13 113.70 105.54 2dm0 s SER 119 Ca 0.00 0.35 -0.31 0.00 0.48 0.00 0.00 55.95 56.47 2dm0 s SER 119 Cb 0.00 0.34 0.16 0.00 0.10 0.00 0.00 66.02 66.62 2dm0 s SER 119 CO 0.00 -0.09 1.21 -0.55 0.98 0.00 0.00 173.24 174.79 2dm0 s SER 120 N -0.16 -0.16 -0.45 7.02 0.15 -1.26 -5.09 113.70 113.75 2dm0 s SER 120 Ca 0.05 0.13 0.06 0.00 0.70 0.00 0.00 55.95 56.89 2dm0 s SER 120 Cb -0.04 0.14 0.18 0.00 -1.71 0.00 0.00 66.02 64.59 2dm0 s SER 120 CO -0.10 -0.18 0.55 -0.83 1.20 0.00 0.00 173.24 173.88 2dm0 s GLY 121 N -1.38 -0.41 -0.11 9.45 0.00 -1.26 -5.12 107.32 108.49 2dm0 s GLY 121 Ca 0.06 -0.95 -0.29 0.00 0.00 0.00 0.00 44.72 43.53 2dm0 s GLY 121 CO -0.04 3.10 1.54 2.56 0.00 0.00 0.00 173.10 180.25 2dm0 s PRO 122 N 0.91 4.13 -0.10 2.90 0.04 -1.26 -5.00 135.00 136.62 2dm0 s PRO 122 Ca 0.26 1.95 0.01 0.00 0.04 0.00 0.00 61.00 63.26 2dm0 s PRO 122 Cb -0.03 -3.93 0.02 0.00 0.04 0.00 0.00 34.50 30.60 2dm0 s PRO 122 CO -0.08 -0.88 -0.10 -1.54 0.04 0.00 0.00 177.00 174.44 2dm0 s SER 123 N 3.11 2.06 -0.19 6.66 1.04 -1.26 -5.12 113.70 120.00 2dm0 s SER 123 Ca 0.68 -0.31 -0.08 0.00 0.48 0.00 0.00 55.95 56.71 2dm0 s SER 123 Cb -0.29 -0.86 0.08 0.00 0.10 0.00 0.00 66.02 65.06 2dm0 s SER 123 CO 0.25 -0.06 0.43 -0.55 0.98 0.00 0.00 173.24 174.30 2dm0 s SER 124 N 1.31 -0.41 0.00 7.02 0.15 -1.26 -5.37 113.70 115.15 2dm0 s SER 124 Ca -0.02 0.99 0.00 0.00 0.70 0.00 0.00 55.95 57.62 2dm0 s SER 124 Cb -0.14 1.15 0.00 0.00 -1.71 0.00 0.00 66.02 65.32 2dm0 s SER 124 CO -0.04 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.79