#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm0 s SER 2 N 0.00 2.47 -0.11 1.61 1.04 -1.26 -5.03 113.70 112.42 2dm0 s SER 2 Ca 0.00 -0.38 -0.23 0.00 0.48 0.00 0.00 55.95 55.81 2dm0 s SER 2 Cb 0.00 -0.30 0.06 0.00 0.10 0.00 0.00 66.02 65.87 2dm0 s SER 2 CO 0.00 0.25 0.57 -0.94 0.98 0.00 0.00 173.24 174.10 2dm0 s SER 3 N -0.46 -0.54 -0.42 7.02 1.04 -1.26 -4.95 113.70 114.12 2dm0 s SER 3 Ca 0.07 0.77 -0.02 0.00 0.48 0.00 0.00 55.95 57.25 2dm0 s SER 3 Cb -0.08 0.75 0.00 0.00 0.10 0.00 0.00 66.02 66.79 2dm0 s SER 3 CO -0.01 -0.42 0.36 0.61 0.98 0.00 0.00 173.24 174.77 2dm0 n GLY 4 N 1.71 0.45 3.93 7.32 0.00 -1.26 -3.52 105.19 113.82 2dm0 n GLY 4 Ca -0.17 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 2dm0 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dm0 n SER 5 N -0.15 -0.90 -0.18 1.61 7.64 -1.26 -4.76 113.62 115.63 2dm0 n SER 5 Ca -0.01 -1.00 -0.03 0.00 1.01 0.00 0.00 58.87 58.84 2dm0 n SER 5 Cb 0.52 -1.27 0.03 0.00 -1.01 0.00 0.00 64.21 62.48 2dm0 n SER 5 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2dm0 h SER 6 N -0.83 -0.79 0.00 6.43 0.02 -1.96 -3.44 113.55 112.98 2dm0 h SER 6 Ca -0.49 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 2dm0 h SER 6 Cb 1.11 0.44 0.00 0.00 0.14 0.00 0.00 62.40 64.09 2dm0 h SER 6 CO 0.68 -0.25 0.00 0.61 -1.14 0.00 0.00 176.83 176.73 2dm0 n GLY 7 N -1.42 1.11 3.23 -3.77 0.00 -1.26 -4.80 105.19 98.28 2dm0 n GLY 7 Ca 0.05 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.80 0.19 0.33 1.61 -0.87 -1.26 -5.18 114.94 105.96 2dm0 s ASN 8 Ca 0.00 -1.00 -0.03 0.00 -1.57 0.00 0.00 52.86 50.26 2dm0 s ASN 8 Cb 0.00 0.36 -0.00 0.00 -0.02 0.00 0.00 41.25 41.58 2dm0 s ASN 8 CO 0.00 -0.79 0.46 -0.54 -2.57 0.00 0.00 177.10 173.65 2dm0 s LYS 9 N -3.99 1.86 -0.09 -0.60 3.01 -1.26 -5.11 119.74 113.56 2dm0 s LYS 9 Ca 0.18 -1.72 -0.34 0.00 -1.01 0.00 0.00 55.97 53.07 2dm0 s LYS 9 Cb 0.05 0.44 -0.17 0.00 -1.01 0.00 0.00 37.83 37.14 2dm0 s LYS 9 CO -0.01 -0.76 0.98 -0.89 0.51 0.00 0.00 175.35 175.18 2dm0 n ILE 10 N -0.54 0.00 -2.37 2.17 5.41 -1.26 -4.87 119.36 117.90 2dm0 n ILE 10 Ca 0.01 0.00 -0.19 0.00 1.00 0.00 0.00 62.75 63.57 2dm0 n ILE 10 Cb 0.62 -0.09 0.02 0.00 -0.71 0.00 0.00 39.64 39.48 2dm0 n ILE 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 2dm0 n THR 11 N 1.67 2.08 -2.30 1.39 -1.04 -1.26 -5.06 114.28 109.76 2dm0 n THR 11 Ca 0.19 -4.06 -0.42 0.00 -2.04 0.00 0.00 64.05 57.71 2dm0 n THR 11 Cb 0.04 -0.53 -0.03 0.00 -1.82 0.00 0.00 70.33 68.00 2dm0 n THR 11 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2dm0 s ASN 12 N -3.56 6.91 -0.18 8.00 2.47 -1.26 -4.90 114.94 122.42 2dm0 s ASN 12 Ca 0.43 2.03 0.14 0.00 0.42 0.00 0.00 52.86 55.87 2dm0 s ASN 12 Cb 0.40 -2.56 -0.20 0.00 -1.45 0.00 0.00 41.25 37.43 2dm0 s ASN 12 CO -0.04 -0.67 0.03 0.18 -3.72 0.00 0.00 177.10 172.88 2dm0 n LEU 13 N 5.25 0.37 -0.30 3.21 4.77 -1.26 -4.49 117.00 124.55 2dm0 n LEU 13 Ca 0.12 -0.01 0.12 0.00 -0.03 0.00 0.00 56.01 56.21 2dm0 n LEU 13 Cb 0.44 0.28 0.27 0.00 -2.33 0.00 0.00 43.42 42.08 2dm0 n LEU 13 CO 0.57 0.48 0.90 1.05 -1.33 0.00 0.00 177.39 179.07 2dm0 h GLU 14 N 0.00 0.15 -1.48 3.23 4.11 -1.90 0.40 114.58 119.09 2dm0 h GLU 14 Ca -0.47 -0.01 0.47 0.00 0.07 0.00 0.00 59.36 59.42 2dm0 h GLU 14 Cb 2.03 -0.03 -0.12 0.00 0.50 0.00 0.00 28.75 31.13 2dm0 h GLU 14 CO 0.01 0.10 0.99 -0.84 0.07 0.00 0.00 179.01 179.34 2dm0 h ILE 15 N 0.15 0.08 -4.41 -1.06 3.07 -1.97 -3.39 117.51 109.97 2dm0 h ILE 15 Ca 0.54 -0.01 -0.47 0.00 1.55 0.00 0.00 64.86 66.47 2dm0 h ILE 15 Cb 1.09 0.03 0.10 0.00 -0.27 0.00 0.00 36.82 37.77 2dm0 h ILE 15 CO -0.71 0.01 0.37 -0.31 -1.05 0.00 0.00 178.15 176.47 2dm0 s TYR 16 N -5.18 2.86 -0.17 0.16 2.02 0.14 -5.03 117.35 112.15 2dm0 s TYR 16 Ca -0.07 0.66 0.04 0.00 -0.37 0.00 0.00 57.07 57.34 2dm0 s TYR 16 Cb 0.29 -3.47 -0.13 0.00 -0.40 0.00 0.00 41.96 38.25 2dm0 s TYR 16 CO 0.84 -1.75 -0.10 -0.85 -1.57 0.00 0.00 175.55 172.11 2dm0 n GLU 17 N -3.26 0.78 0.22 -0.62 0.00 -1.26 -4.42 120.64 112.08 2dm0 n GLU 17 Ca 0.08 0.07 0.15 0.00 0.00 0.00 0.00 57.16 57.47 2dm0 n GLU 17 Cb 0.61 -1.36 0.76 0.00 0.00 0.00 0.00 31.44 31.45 2dm0 n GLU 17 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.13 177.24 2dm0 h TRP 18 N 0.00 0.00 -1.15 -1.84 5.08 -1.83 -1.25 115.95 114.96 2dm0 h TRP 18 Ca -0.39 0.00 -0.72 0.00 1.08 0.00 0.00 58.89 58.86 2dm0 h TRP 18 Cb 1.68 0.00 -0.11 0.00 -3.00 0.00 0.00 29.16 27.73 2dm0 h TRP 18 CO 0.02 0.00 2.13 0.98 -1.28 0.00 0.00 178.44 180.28 2dm0 n TYR 19 N -2.61 4.18 -1.88 0.12 9.36 -1.26 -1.54 117.16 123.53 2dm0 n TYR 19 Ca -0.01 -3.01 -0.27 0.00 3.32 0.00 0.00 57.90 57.93 2dm0 n TYR 19 Cb 0.12 -2.36 -0.05 0.00 -0.63 0.00 0.00 39.34 36.43 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 2.50 1.53 0.26 2.98 3.76 -1.06 -4.82 115.29 120.44 2dm0 s HIS 20 Ca 0.47 1.09 -0.06 0.00 -0.15 0.00 0.00 55.06 56.40 2dm0 s HIS 20 Cb 0.05 -3.86 -0.06 0.00 1.11 0.00 0.00 32.58 29.83 2dm0 s HIS 20 CO 0.01 -1.91 0.54 -0.98 -0.85 0.00 0.00 174.74 171.55 2dm0 s ARG 21 N 7.60 3.69 -0.39 1.40 1.70 -1.26 -4.36 118.95 127.33 2dm0 s ARG 21 Ca 0.78 0.09 -0.02 0.00 -0.47 0.00 0.00 55.73 56.11 2dm0 s ARG 21 Cb -0.11 -2.66 0.00 0.00 -0.57 0.00 0.00 34.95 31.62 2dm0 s ARG 21 CO 0.09 0.26 0.34 -1.71 -1.08 0.00 0.00 175.30 173.20 2dm0 n ASN 22 N -0.60 -3.10 -3.83 -2.89 5.15 -1.26 -5.05 115.26 103.67 2dm0 n ASN 22 Ca -0.01 -0.16 -0.22 0.00 -0.60 0.00 0.00 54.58 53.59 2dm0 n ASN 22 Cb 0.53 -1.83 -0.08 0.00 -0.53 0.00 0.00 39.78 37.87 2dm0 n ASN 22 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2dm0 s ILE 23 N -3.10 0.33 0.15 -1.44 -4.36 -1.26 -5.15 121.20 106.38 2dm0 s ILE 23 Ca 0.15 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.55 2dm0 s ILE 23 Cb -0.06 -2.42 -0.04 0.00 1.25 0.00 0.00 42.46 41.18 2dm0 s ILE 23 CO 0.21 0.00 0.01 0.28 0.24 0.00 0.00 174.94 175.68 2dm0 s THR 24 N -3.36 0.52 0.15 8.37 -1.32 -1.26 -4.81 115.64 113.94 2dm0 s THR 24 Ca 0.31 -1.95 -0.15 0.00 -1.21 0.00 0.00 61.69 58.70 2dm0 s THR 24 Cb 0.03 -2.02 0.12 0.00 -1.51 0.00 0.00 72.50 69.12 2dm0 s THR 24 CO 0.19 -0.55 1.11 -1.14 -2.21 0.00 0.00 174.62 172.03 2dm0 n ARG 25 N -0.17 -0.20 -0.06 7.08 0.63 -1.26 0.66 116.66 123.35 2dm0 n ARG 25 Ca -0.07 1.09 -0.10 0.00 -0.92 0.00 0.00 57.85 57.86 2dm0 n ARG 25 Cb 0.63 -1.62 -0.03 0.00 0.45 0.00 0.00 32.46 31.88 2dm0 n ARG 25 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 2dm0 h ASN 26 N 0.00 -1.12 0.35 6.15 2.35 -1.99 -1.67 115.58 119.64 2dm0 h ASN 26 Ca 0.22 0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 56.14 2dm0 h ASN 26 Cb 0.40 0.49 -0.03 0.00 0.05 0.00 0.00 38.32 39.23 2dm0 h ASN 26 CO -0.70 -0.35 -0.46 1.56 -1.65 0.00 0.00 177.43 175.82 2dm0 h GLN 27 N -0.35 -0.82 -0.89 0.81 1.08 -0.16 0.20 115.11 114.98 2dm0 h GLN 27 Ca 0.13 0.06 0.10 0.00 -1.45 0.00 0.00 58.65 57.48 2dm0 h GLN 27 Cb 0.56 0.19 -0.12 0.00 -0.05 0.00 0.00 27.48 28.05 2dm0 h GLN 27 CO -0.46 -0.55 -0.52 0.00 -0.95 0.00 0.00 178.83 176.35 2dm0 h ALA 28 N -0.56 -0.39 0.70 3.87 0.00 -0.72 0.73 119.26 122.89 2dm0 h ALA 28 Ca -0.03 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2dm0 h ALA 28 Cb 0.78 1.22 0.01 0.00 0.00 0.00 0.00 17.79 19.80 2dm0 h ALA 28 CO -0.13 -0.89 -0.34 0.93 0.00 0.00 0.00 179.25 178.83 2dm0 h GLU 29 N -0.07 -0.91 -0.34 0.00 5.08 -1.10 -3.11 114.58 114.13 2dm0 h GLU 29 Ca 0.19 0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.65 2dm0 h GLU 29 Cb 0.49 0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 2dm0 h GLU 29 CO -0.89 -0.59 -0.23 1.25 -1.00 0.00 0.00 179.01 177.55 2dm0 h HIS 30 N -0.98 -0.74 -0.89 4.33 2.76 0.38 0.41 115.15 120.42 2dm0 h HIS 30 Ca -0.10 0.05 0.34 0.00 -2.20 0.00 0.00 60.37 58.46 2dm0 h HIS 30 Cb 0.73 0.37 -0.16 0.00 1.55 0.00 0.00 27.41 29.89 2dm0 h HIS 30 CO -0.02 -0.16 0.34 1.28 -1.30 0.00 0.00 177.93 178.07 2dm0 n LEU 31 N -3.86 0.18 -0.01 0.26 4.77 0.16 0.61 117.00 119.11 2dm0 n LEU 31 Ca 0.00 1.49 -0.13 0.00 -0.03 0.00 0.00 56.01 57.35 2dm0 n LEU 31 Cb 0.11 -0.67 -0.10 0.00 -2.33 0.00 0.00 43.42 40.43 2dm0 n LEU 31 CO -0.05 -1.62 0.57 -0.07 -1.33 0.00 0.00 177.39 174.89 2dm0 h LEU 32 N 0.00 -0.04 -1.01 2.23 3.38 -0.27 -3.10 115.31 116.50 2dm0 h LEU 32 Ca 0.69 -0.53 0.20 0.00 0.09 0.00 0.00 57.88 58.33 2dm0 h LEU 32 Cb 1.74 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 42.39 2dm0 h LEU 32 CO -0.73 0.52 0.61 0.03 0.09 0.00 0.00 178.44 178.96 2dm0 h ARG 33 N -0.61 0.72 -0.26 1.13 2.47 0.29 -0.30 114.38 117.82 2dm0 h ARG 33 Ca -0.00 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 2dm0 h ARG 33 Cb 0.56 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.70 2dm0 h ARG 33 CO 0.01 0.48 0.17 1.96 0.56 0.00 0.00 179.97 183.14 2dm0 h GLN 34 N 0.74 0.34 0.17 0.04 4.20 -0.95 -3.04 115.11 116.61 2dm0 h GLN 34 Ca 0.59 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.27 2dm0 h GLN 34 Cb 0.94 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.65 2dm0 h GLN 34 CO -0.39 0.22 -0.08 0.93 -0.67 0.00 0.00 178.83 178.84 2dm0 h GLU 35 N 0.35 -0.22 -5.39 1.46 4.39 -1.02 -3.47 114.58 110.67 2dm0 h GLU 35 Ca 0.09 0.02 -0.35 0.00 0.34 0.00 0.00 59.36 59.46 2dm0 h GLU 35 Cb -0.04 0.05 0.13 0.00 -0.10 0.00 0.00 28.75 28.79 2dm0 h GLU 35 CO -0.02 -0.09 -0.64 0.43 -1.16 0.00 0.00 179.01 177.53 2dm0 n SER 36 N -5.16 -5.06 -3.63 1.42 7.64 -0.52 -5.00 113.62 103.32 2dm0 n SER 36 Ca -0.09 -0.51 -0.26 0.00 1.01 0.00 0.00 58.87 59.02 2dm0 n SER 36 Cb 0.14 -4.65 -0.17 0.00 -1.01 0.00 0.00 64.21 58.52 2dm0 n SER 36 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2dm0 s LYS 37 N -5.97 0.14 0.32 1.43 -2.85 -1.26 -5.10 119.74 106.44 2dm0 s LYS 37 Ca 0.41 -0.12 -0.20 0.00 -1.00 0.00 0.00 55.97 55.06 2dm0 s LYS 37 Cb -0.18 -1.86 -0.14 0.00 -2.06 0.00 0.00 37.83 33.59 2dm0 s LYS 37 CO 0.66 -0.67 0.14 -1.91 0.10 0.00 0.00 175.35 173.68 2dm0 n GLU 38 N 5.25 0.00 0.00 1.78 2.13 -1.26 -2.50 120.64 126.04 2dm0 n GLU 38 Ca -0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.75 2dm0 n GLU 38 Cb 0.49 -0.87 0.00 0.00 0.27 0.00 0.00 31.44 31.32 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 2.00 3.01 2.31 8.31 0.00 -0.63 -4.66 105.19 115.53 2dm0 n GLY 39 Ca 0.11 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.48 -2.23 4.61 0.00 -1.04 -4.31 120.51 117.06 2dm0 n ALA 40 Ca 0.00 0.25 -0.13 0.00 0.00 0.00 0.00 53.44 53.55 2dm0 n ALA 40 Cb 0.00 -1.29 -0.10 0.00 0.00 0.00 0.00 19.45 18.06 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 2.72 1.17 0.01 0.00 -0.71 -1.20 0.50 117.98 120.47 2dm0 s PHE 41 Ca 0.72 -0.86 -0.28 0.00 -1.04 0.00 0.00 56.93 55.47 2dm0 s PHE 41 Cb -0.98 -0.63 0.07 0.00 -1.21 0.00 0.00 43.02 40.27 2dm0 s PHE 41 CO 0.49 -0.04 0.67 0.96 -1.34 0.00 0.00 175.22 175.96 2dm0 s ILE 42 N -3.47 0.00 -0.29 -4.49 -4.36 -1.01 -3.06 121.20 104.52 2dm0 s ILE 42 Ca 0.17 0.00 -0.00 0.00 -0.26 0.00 0.00 60.65 60.56 2dm0 s ILE 42 Cb 0.04 -1.00 0.05 0.00 1.25 0.00 0.00 42.46 42.81 2dm0 s ILE 42 CO 0.00 0.00 -0.02 -0.69 0.24 0.00 0.00 174.94 174.47 2dm0 s VAL 43 N -2.01 2.76 0.44 8.37 1.01 -0.59 -0.47 120.40 129.91 2dm0 s VAL 43 Ca -0.07 -1.49 0.03 0.00 0.00 0.00 0.00 61.98 60.46 2dm0 s VAL 43 Cb -0.00 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.77 2dm0 s VAL 43 CO 0.02 -0.11 0.63 0.00 0.00 0.00 0.00 175.10 175.65 2dm0 s ARG 44 N 1.20 2.93 -0.31 2.72 1.70 -0.92 -2.56 118.95 123.71 2dm0 s ARG 44 Ca -0.06 -0.78 -0.12 0.00 -0.47 0.00 0.00 55.73 54.31 2dm0 s ARG 44 Cb -0.20 -2.63 -0.03 0.00 -0.57 0.00 0.00 34.95 31.52 2dm0 s ARG 44 CO -0.02 -0.29 0.20 0.16 -1.08 0.00 0.00 175.30 174.27 2dm0 s ASP 45 N -4.27 5.93 0.17 -2.89 -4.77 -1.26 -3.18 116.67 106.40 2dm0 s ASP 45 Ca 0.50 -0.30 -0.33 0.00 -3.30 0.00 0.00 52.55 49.12 2dm0 s ASP 45 Cb -0.10 -2.10 -0.13 0.00 -1.09 0.00 0.00 42.92 39.49 2dm0 s ASP 45 CO 0.36 -0.16 1.62 -1.20 0.70 0.00 0.00 175.17 176.49 2dm0 n SER 46 N 5.07 3.33 0.11 2.11 7.64 -0.68 -4.90 113.62 126.29 2dm0 n SER 46 Ca -0.13 1.07 -0.23 0.00 1.01 0.00 0.00 58.87 60.59 2dm0 n SER 46 Cb 0.50 -1.46 -0.14 0.00 -1.01 0.00 0.00 64.21 62.10 2dm0 n SER 46 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 2dm0 h ARG 47 N 6.24 0.58 -0.89 1.43 -0.00 -1.95 -3.29 114.38 116.50 2dm0 h ARG 47 Ca -0.45 -0.84 0.06 0.00 -0.00 0.00 0.00 59.98 58.75 2dm0 h ARG 47 Cb 1.24 0.29 -0.06 0.00 -0.00 0.00 0.00 29.97 31.44 2dm0 h ARG 47 CO 0.91 1.39 0.58 1.12 -0.00 0.00 0.00 179.97 183.96 2dm0 h HIS 48 N 0.23 1.04 -3.30 4.08 2.07 -1.99 -3.46 115.15 113.82 2dm0 h HIS 48 Ca -0.20 0.03 -0.07 0.00 -2.85 0.00 0.00 60.37 57.27 2dm0 h HIS 48 Cb 1.99 -0.34 -0.03 0.00 2.57 0.00 0.00 27.41 31.60 2dm0 h HIS 48 CO 0.12 0.56 0.14 -1.17 -3.07 0.00 0.00 177.93 174.50 2dm0 s LEU 49 N -9.98 0.22 0.00 6.12 2.96 -1.24 -5.02 118.68 111.74 2dm0 s LEU 49 Ca -0.11 -1.14 -0.02 0.00 -0.22 0.00 0.00 54.13 52.63 2dm0 s LEU 49 Cb 0.20 2.45 -0.09 0.00 0.50 0.00 0.00 46.19 49.25 2dm0 s LEU 49 CO 0.80 -1.53 2.05 0.61 -1.32 0.00 0.00 176.35 176.96 2dm0 n GLY 50 N -0.52 2.18 3.60 7.98 0.00 -1.26 -4.05 105.19 113.12 2dm0 n GLY 50 Ca -0.05 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.37 2dm0 n GLY 50 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dm0 n SER 51 N 2.09 1.60 -4.05 1.61 7.64 -1.26 -4.93 113.62 116.31 2dm0 n SER 51 Ca 0.14 -2.24 -0.10 0.00 1.01 0.00 0.00 58.87 57.69 2dm0 n SER 51 Cb 0.50 -0.50 -0.11 0.00 -1.01 0.00 0.00 64.21 63.10 2dm0 n SER 51 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2dm0 s TYR 52 N -2.58 0.50 -0.10 1.43 1.51 -1.25 -1.69 117.35 115.16 2dm0 s TYR 52 Ca 0.59 -0.69 -0.06 0.00 -1.01 0.00 0.00 57.07 55.90 2dm0 s TYR 52 Cb -0.04 -0.33 0.04 0.00 -0.11 0.00 0.00 41.96 41.52 2dm0 s TYR 52 CO 0.38 -0.20 0.24 0.99 -1.11 0.00 0.00 175.55 175.85 2dm0 s THR 53 N -2.23 -0.03 -0.19 -0.71 2.01 -1.19 0.74 115.64 114.04 2dm0 s THR 53 Ca -0.06 0.11 -0.14 0.00 0.31 0.00 0.00 61.69 61.91 2dm0 s THR 53 Cb -0.04 -0.36 -0.04 0.00 0.01 0.00 0.00 72.50 72.07 2dm0 s THR 53 CO -0.03 0.04 0.33 -0.63 -0.69 0.00 0.00 174.62 173.64 2dm0 s ILE 54 N 0.95 5.26 -0.49 1.82 1.01 0.83 -2.18 121.20 128.40 2dm0 s ILE 54 Ca -0.07 0.58 -0.05 0.00 0.00 0.00 0.00 60.65 61.11 2dm0 s ILE 54 Cb -0.08 -3.66 0.13 0.00 0.01 0.00 0.00 42.46 38.86 2dm0 s ILE 54 CO -0.06 0.31 0.31 -0.44 0.00 0.00 0.00 174.94 175.07 2dm0 s SER 55 N 0.86 5.39 0.16 3.58 0.01 0.38 -1.03 113.70 123.05 2dm0 s SER 55 Ca 0.16 -2.25 -0.01 0.00 1.31 0.00 0.00 55.95 55.17 2dm0 s SER 55 Cb -0.14 -1.89 -0.04 0.00 0.21 0.00 0.00 66.02 64.16 2dm0 s SER 55 CO 0.06 -0.53 0.35 -0.69 0.41 0.00 0.00 173.24 172.84 2dm0 s VAL 56 N 0.84 5.24 -0.32 3.43 1.01 -1.16 -2.39 120.40 127.04 2dm0 s VAL 56 Ca 0.10 -0.31 -0.12 0.00 0.00 0.00 0.00 61.98 61.65 2dm0 s VAL 56 Cb -0.22 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 2dm0 s VAL 56 CO -0.03 -0.07 0.22 0.12 0.00 0.00 0.00 175.10 175.33 2dm0 s PHE 57 N -1.75 3.22 -0.14 5.22 5.36 0.18 -1.59 117.98 128.48 2dm0 s PHE 57 Ca 0.38 -0.15 -0.08 0.00 -0.96 0.00 0.00 56.93 56.12 2dm0 s PHE 57 Cb -0.12 -2.44 -0.03 0.00 -0.34 0.00 0.00 43.02 40.10 2dm0 s PHE 57 CO 0.28 -0.31 -0.12 0.52 -1.46 0.00 0.00 175.22 174.13 2dm0 h MET 58 N 8.44 0.00 0.00 10.12 2.86 -0.47 -1.68 114.93 134.21 2dm0 h MET 58 Ca -0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 2dm0 h MET 58 Cb 1.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.83 2dm0 h MET 58 CO 0.61 0.05 0.00 0.41 1.06 0.00 0.00 176.91 179.04 2dm0 n GLY 59 N 1.64 0.18 3.11 8.32 0.00 -1.08 -4.49 105.19 112.88 2dm0 n GLY 59 Ca -0.07 -1.37 -0.36 0.00 0.00 0.00 0.00 46.02 44.23 2dm0 n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dm0 n ALA 60 N 1.19 -4.85 -0.08 4.61 0.00 -1.05 -4.64 120.51 115.69 2dm0 n ALA 60 Ca 0.00 -0.88 -0.06 0.00 0.00 0.00 0.00 53.44 52.49 2dm0 n ALA 60 Cb 0.00 -1.24 -0.02 0.00 0.00 0.00 0.00 19.45 18.19 2dm0 n ALA 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dm0 n ARG 61 N 1.17 0.48 -2.53 0.00 5.12 -1.26 -4.75 116.66 114.90 2dm0 n ARG 61 Ca 0.00 0.43 -0.14 0.00 -1.93 0.00 0.00 57.85 56.21 2dm0 n ARG 61 Cb 0.60 -1.61 0.03 0.00 -1.16 0.00 0.00 32.46 30.32 2dm0 n ARG 61 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2dm0 n ARG 62 N -4.56 2.37 -3.75 5.56 1.74 -1.26 -5.07 116.66 111.68 2dm0 n ARG 62 Ca -0.10 -3.81 -0.09 0.00 -0.77 0.00 0.00 57.85 53.08 2dm0 n ARG 62 Cb 0.35 -1.80 -0.03 0.00 -1.02 0.00 0.00 32.46 29.96 2dm0 n ARG 62 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2dm0 s SER 63 N -3.52 -0.28 -0.11 0.55 0.01 -1.26 -5.03 113.70 104.05 2dm0 s SER 63 Ca 0.37 -0.50 -0.00 0.00 1.31 0.00 0.00 55.95 57.13 2dm0 s SER 63 Cb 0.39 0.62 0.08 0.00 0.21 0.00 0.00 66.02 67.32 2dm0 s SER 63 CO -0.03 -1.13 1.94 0.41 0.41 0.00 0.00 173.24 174.84 2dm0 n THR 64 N -0.38 2.21 -3.57 1.44 -1.04 -1.26 -4.63 114.28 107.06 2dm0 n THR 64 Ca -0.09 -0.87 -0.18 0.00 -2.04 0.00 0.00 64.05 60.88 2dm0 n THR 64 Cb 0.62 -1.40 0.02 0.00 -1.82 0.00 0.00 70.33 67.74 2dm0 n THR 64 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2dm0 n GLU 65 N 1.03 0.84 -4.43 -2.82 1.02 -1.26 -5.04 120.64 109.97 2dm0 n GLU 65 Ca 0.11 -2.48 -0.21 0.00 -0.02 0.00 0.00 57.16 54.56 2dm0 n GLU 65 Cb 0.54 0.14 -0.10 0.00 -0.02 0.00 0.00 31.44 32.00 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 -2.56 2.30 -0.22 0.62 0.00 -1.26 -2.54 121.76 118.09 2dm0 s ALA 66 Ca 0.29 -1.88 -0.17 0.00 0.00 0.00 0.00 51.96 50.20 2dm0 s ALA 66 Cb -0.02 0.77 0.06 0.00 0.00 0.00 0.00 23.12 23.93 2dm0 s ALA 66 CO 0.19 -0.35 0.58 0.00 0.00 0.00 0.00 175.76 176.17 2dm0 s ALA 67 N -3.39 -1.47 -0.02 0.00 0.00 -1.26 -4.33 121.76 111.29 2dm0 s ALA 67 Ca 0.35 1.79 0.01 0.00 0.00 0.00 0.00 51.96 54.10 2dm0 s ALA 67 Cb 0.08 -1.05 0.02 0.00 0.00 0.00 0.00 23.12 22.16 2dm0 s ALA 67 CO 0.15 -0.30 -0.01 0.42 0.00 0.00 0.00 175.76 176.03 2dm0 s ILE 68 N 0.77 0.19 0.25 0.00 1.01 -1.26 0.33 121.20 122.49 2dm0 s ILE 68 Ca -0.04 0.03 0.06 0.00 0.00 0.00 0.00 60.65 60.70 2dm0 s ILE 68 Cb -0.05 -0.25 -0.03 0.00 0.01 0.00 0.00 42.46 42.13 2dm0 s ILE 68 CO -0.06 0.12 0.30 -0.54 0.00 0.00 0.00 174.94 174.77 2dm0 s LYS 69 N 0.73 3.24 -0.25 2.79 3.01 -0.62 -4.97 119.74 123.67 2dm0 s LYS 69 Ca -0.07 -0.88 -0.02 0.00 -1.01 0.00 0.00 55.97 53.99 2dm0 s LYS 69 Cb -0.10 -2.77 0.08 0.00 -1.01 0.00 0.00 37.83 34.03 2dm0 s LYS 69 CO -0.01 0.41 0.05 -1.01 0.51 0.00 0.00 175.35 175.30 2dm0 s HIS 70 N -2.04 1.46 -0.45 3.18 3.76 -1.26 -2.97 115.29 116.97 2dm0 s HIS 70 Ca 0.34 -1.33 -0.12 0.00 -0.15 0.00 0.00 55.06 53.81 2dm0 s HIS 70 Cb -0.09 -1.37 0.09 0.00 1.11 0.00 0.00 32.58 32.32 2dm0 s HIS 70 CO 0.28 -0.74 0.33 0.71 -0.85 0.00 0.00 174.74 174.46 2dm0 s TYR 71 N 1.71 3.31 -0.40 1.40 2.02 -0.20 -4.91 117.35 120.29 2dm0 s TYR 71 Ca 0.03 -1.38 -0.29 0.00 -0.37 0.00 0.00 57.07 55.06 2dm0 s TYR 71 Cb -0.17 -3.16 0.02 0.00 -0.40 0.00 0.00 41.96 38.25 2dm0 s TYR 71 CO -0.15 -0.87 1.22 -1.14 -1.57 0.00 0.00 175.55 173.04 2dm0 s GLN 72 N 1.49 3.80 -0.48 -0.62 0.74 -1.26 -0.12 119.66 123.21 2dm0 s GLN 72 Ca 0.04 0.88 -0.28 0.00 0.05 0.00 0.00 55.36 56.04 2dm0 s GLN 72 Cb -0.24 -3.89 0.01 0.00 1.10 0.00 0.00 33.01 29.98 2dm0 s GLN 72 CO 0.03 -1.28 1.49 0.42 -0.55 0.00 0.00 175.29 175.40 2dm0 s ILE 73 N 4.50 3.77 0.59 -2.34 1.01 0.23 -4.85 121.20 124.10 2dm0 s ILE 73 Ca 0.52 0.72 0.05 0.00 0.00 0.00 0.00 60.65 61.93 2dm0 s ILE 73 Cb -0.11 -4.22 0.08 0.00 0.01 0.00 0.00 42.46 38.22 2dm0 s ILE 73 CO 0.27 -0.90 0.82 -0.54 0.00 0.00 0.00 174.94 174.59 2dm0 s LYS 74 N 5.41 2.23 0.04 2.79 1.02 -1.07 -3.93 119.74 126.23 2dm0 s LYS 74 Ca 0.60 -1.28 0.06 0.00 0.02 0.00 0.00 55.97 55.37 2dm0 s LYS 74 Cb -0.13 -2.54 -0.02 0.00 -0.52 0.00 0.00 37.83 34.61 2dm0 s LYS 74 CO 0.29 -0.92 -0.16 0.21 -0.92 0.00 0.00 175.35 173.84 2dm0 s LYS 75 N -4.78 1.08 0.34 1.68 2.20 -1.26 -1.77 119.74 117.23 2dm0 s LYS 75 Ca 0.61 -0.83 0.05 0.00 -0.36 0.00 0.00 55.97 55.44 2dm0 s LYS 75 Cb -0.07 -1.13 0.05 0.00 -1.51 0.00 0.00 37.83 35.18 2dm0 s LYS 75 CO 0.40 0.28 0.45 0.27 -0.36 0.00 0.00 175.35 176.39 2dm0 n ASN 76 N 1.84 1.29 0.04 1.43 0.23 -1.03 -4.91 115.26 114.16 2dm0 n ASN 76 Ca -0.18 -1.92 0.11 0.00 -0.53 0.00 0.00 54.58 52.07 2dm0 n ASN 76 Cb 0.54 -0.23 0.57 0.00 -2.08 0.00 0.00 39.78 38.58 2dm0 n ASN 76 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 2dm0 h ASP 77 N 0.08 0.20 -0.04 0.53 2.03 -2.02 0.70 116.42 117.91 2dm0 h ASP 77 Ca -0.16 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.14 2dm0 h ASP 77 Cb 0.73 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.19 2dm0 h ASP 77 CO 0.23 0.13 0.00 -1.20 -1.03 0.00 0.00 179.24 177.37 2dm0 n SER 78 N -4.47 1.27 -4.23 4.15 7.64 -1.26 -4.84 113.62 111.87 2dm0 n SER 78 Ca 0.05 -2.06 -0.36 0.00 1.01 0.00 0.00 58.87 57.51 2dm0 n SER 78 Cb 0.30 -0.49 -0.03 0.00 -1.01 0.00 0.00 64.21 62.98 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 0.06 -0.42 3.45 0.23 0.00 0.24 -4.93 105.19 103.82 2dm0 n GLY 79 Ca 0.02 0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 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 -6.94 2.94 0.02 1.61 -0.21 -1.26 -4.88 119.66 110.94 2dm0 s GLN 80 Ca 0.68 -0.66 -0.28 0.00 0.02 0.00 0.00 55.36 55.12 2dm0 s GLN 80 Cb -0.37 -2.53 -0.04 0.00 1.00 0.00 0.00 33.01 31.06 2dm0 s GLN 80 CO 0.93 0.45 0.89 -1.58 -2.12 0.00 0.00 175.29 173.87 2dm0 s TRP 81 N -0.26 3.69 0.00 0.91 0.52 -1.13 -2.45 118.94 120.22 2dm0 s TRP 81 Ca 0.02 1.60 -0.06 0.00 0.02 0.00 0.00 56.10 57.68 2dm0 s TRP 81 Cb -0.13 -3.00 -0.00 0.00 -1.15 0.00 0.00 33.47 29.19 2dm0 s TRP 81 CO 0.03 0.10 0.12 1.52 0.02 0.00 0.00 176.95 178.73 2dm0 s TYR 82 N 0.60 0.07 -0.08 -1.98 -0.85 -0.73 -0.94 117.35 113.44 2dm0 s TYR 82 Ca 0.46 -0.18 -0.05 0.00 -0.52 0.00 0.00 57.07 56.78 2dm0 s TYR 82 Cb -0.21 -0.06 -0.04 0.00 0.38 0.00 0.00 41.96 42.03 2dm0 s TYR 82 CO 0.26 -0.28 -0.13 0.28 -1.52 0.00 0.00 175.55 174.16 2dm0 n VAL 83 N 1.47 0.73 0.79 -3.49 0.31 -1.26 -2.59 118.33 114.28 2dm0 n VAL 83 Ca -0.23 -0.04 0.02 0.00 -0.01 0.00 0.00 64.34 64.08 2dm0 n VAL 83 Cb 0.55 -1.69 0.08 0.00 -0.91 0.00 0.00 33.84 31.88 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 -3.54 2.73 -2.15 3.52 0.00 -1.26 -4.84 120.51 114.96 2dm0 n ALA 84 Ca -0.16 -0.37 -0.04 0.00 0.00 0.00 0.00 53.44 52.87 2dm0 n ALA 84 Cb 0.54 -1.02 -0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 0.09 -2.37 0.00 0.00 2.13 -1.26 -4.56 120.64 114.68 2dm0 n GLU 85 Ca 0.06 0.18 0.00 0.00 0.66 0.00 0.00 57.16 58.06 2dm0 n GLU 85 Cb 0.38 -4.60 0.00 0.00 0.27 0.00 0.00 31.44 27.49 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 -2.26 1.67 -4.03 5.31 5.12 -1.26 -5.01 116.66 116.19 2dm0 n ARG 86 Ca -0.04 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.56 2dm0 n ARG 86 Cb 0.43 -0.73 -0.15 0.00 -1.16 0.00 0.00 32.46 30.85 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 -1.46 3.14 -0.14 -1.55 3.76 -1.26 -5.11 115.29 112.67 2dm0 s HIS 87 Ca 0.00 -2.29 -0.09 0.00 -0.15 0.00 0.00 55.06 52.53 2dm0 s HIS 87 Cb 0.00 -1.98 -0.05 0.00 1.11 0.00 0.00 32.58 31.67 2dm0 s HIS 87 CO 0.00 -0.87 0.17 0.00 -0.85 0.00 0.00 174.74 173.19 2dm0 s ALA 88 N 1.14 3.78 0.28 -1.40 0.00 -1.26 -4.31 121.76 119.99 2dm0 s ALA 88 Ca -0.06 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.31 2dm0 s ALA 88 Cb -0.20 -2.10 0.02 0.00 0.00 0.00 0.00 23.12 20.84 2dm0 s ALA 88 CO -0.06 0.41 0.17 1.19 0.00 0.00 0.00 175.76 177.47 2dm0 n PHE 89 N 2.64 -0.72 -0.06 0.00 3.01 -0.12 -4.91 117.46 117.30 2dm0 n PHE 89 Ca -0.18 -1.21 -0.04 0.00 1.01 0.00 0.00 57.45 57.03 2dm0 n PHE 89 Cb 0.54 -0.22 -0.12 0.00 -0.01 0.00 0.00 39.48 39.67 2dm0 n PHE 89 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 2dm0 n GLN 90 N -1.06 1.41 -4.09 -1.08 6.02 -1.26 -2.82 117.38 114.50 2dm0 n GLN 90 Ca -0.03 -0.03 -0.12 0.00 -0.01 0.00 0.00 57.00 56.80 2dm0 n GLN 90 Cb 0.32 -1.37 -0.11 0.00 1.02 0.00 0.00 30.24 30.10 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 -4.60 0.91 0.13 1.08 0.01 -1.26 -4.79 113.70 105.18 2dm0 s SER 91 Ca -0.07 -0.66 -0.19 0.00 1.31 0.00 0.00 55.95 56.34 2dm0 s SER 91 Cb 0.05 0.05 -0.03 0.00 0.21 0.00 0.00 66.02 66.30 2dm0 s SER 91 CO 0.60 -0.27 1.76 0.40 0.41 0.00 0.00 173.24 176.14 2dm0 h ILE 92 N 4.12 0.98 0.00 1.44 1.08 -1.95 -1.19 117.51 121.98 2dm0 h ILE 92 Ca -0.36 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.04 2dm0 h ILE 92 Cb 1.19 0.73 0.00 0.00 -3.07 0.00 0.00 36.82 35.68 2dm0 h ILE 92 CO 0.47 0.04 0.00 -0.81 -0.69 0.00 0.00 178.15 177.16 2dm0 n PRO 93 N -5.00 0.35 -0.06 2.37 -0.04 -1.26 -2.71 135.00 128.65 2dm0 n PRO 93 Ca -0.02 0.07 -0.20 0.00 -0.04 0.00 0.00 63.50 63.31 2dm0 n PRO 93 Cb 0.07 -1.50 -0.13 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 -1.14 0.71 -0.24 0.54 4.71 -0.49 -3.23 120.64 121.50 2dm0 n GLU 94 Ca 0.09 0.22 0.04 0.00 -0.01 0.00 0.00 57.16 57.50 2dm0 n GLU 94 Cb 0.09 -1.62 0.28 0.00 -1.01 0.00 0.00 31.44 29.17 2dm0 n GLU 94 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2dm0 h LEU 95 N -0.01 0.82 0.00 -4.62 6.46 -1.25 -1.16 115.31 115.55 2dm0 h LEU 95 Ca -0.50 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.26 2dm0 h LEU 95 Cb 1.95 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 41.70 2dm0 h LEU 95 CO -0.01 0.54 -0.54 0.40 -0.62 0.00 0.00 178.44 178.22 2dm0 h ILE 96 N 0.94 0.00 -0.45 4.05 1.08 -1.74 -3.18 117.51 118.20 2dm0 h ILE 96 Ca 0.34 -0.97 0.08 0.00 -0.39 0.00 0.00 64.86 63.91 2dm0 h ILE 96 Cb 0.14 1.70 -0.07 0.00 -3.07 0.00 0.00 36.82 35.52 2dm0 h ILE 96 CO -0.11 0.00 0.06 -0.25 -0.69 0.00 0.00 178.15 177.16 2dm0 h TRP 97 N 0.00 0.08 0.02 1.37 -0.00 -1.18 -2.40 115.95 113.85 2dm0 h TRP 97 Ca 0.00 0.03 -0.10 0.00 -0.00 0.00 0.00 58.89 58.82 2dm0 h TRP 97 Cb 0.99 0.03 -0.01 0.00 -0.00 0.00 0.00 29.16 30.17 2dm0 h TRP 97 CO 0.00 -0.03 -0.53 1.88 -0.00 0.00 0.00 178.44 179.76 2dm0 h TYR 98 N 0.18 0.06 -1.17 2.65 -1.99 -1.69 -3.34 116.97 111.68 2dm0 h TYR 98 Ca 0.23 -0.05 0.42 0.00 2.00 0.00 0.00 58.73 61.33 2dm0 h TYR 98 Cb 0.31 -0.00 -0.13 0.00 2.00 0.00 0.00 36.73 38.90 2dm0 h TYR 98 CO -0.24 1.21 0.73 0.72 -0.00 0.00 0.00 178.16 180.58 2dm0 n HIS 99 N -4.48 0.72 0.32 4.88 8.25 -1.18 -0.15 115.22 123.59 2dm0 n HIS 99 Ca -0.18 0.73 -0.15 0.00 -0.26 0.00 0.00 57.72 57.85 2dm0 n HIS 99 Cb 0.59 -1.15 -0.08 0.00 1.12 0.00 0.00 29.99 30.47 2dm0 n HIS 99 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2dm0 h GLN 100 N 0.00 -0.90 -0.02 -0.41 4.20 -1.55 -3.01 115.11 113.42 2dm0 h GLN 100 Ca 0.79 0.06 -0.00 0.00 0.06 0.00 0.00 58.65 59.56 2dm0 h GLN 100 Cb 2.44 0.20 -0.00 0.00 0.30 0.00 0.00 27.48 30.43 2dm0 h GLN 100 CO -0.48 -0.60 0.00 1.25 -0.67 0.00 0.00 178.83 178.34 2dm0 h HIS 101 N -0.93 0.04 -3.30 2.96 2.76 -0.72 -3.42 115.15 112.53 2dm0 h HIS 101 Ca -0.08 -0.01 -0.61 0.00 -2.20 0.00 0.00 60.37 57.48 2dm0 h HIS 101 Cb 0.76 -0.01 -0.37 0.00 1.55 0.00 0.00 27.41 29.34 2dm0 h HIS 101 CO -0.09 0.29 -0.82 0.54 -1.30 0.00 0.00 177.93 176.55 2dm0 s ASN 102 N -5.50 3.09 -0.12 3.26 2.20 0.34 -5.09 114.94 113.12 2dm0 s ASN 102 Ca -0.15 -0.72 -0.29 0.00 -0.94 0.00 0.00 52.86 50.77 2dm0 s ASN 102 Cb 0.04 -1.20 -0.06 0.00 -2.00 0.00 0.00 41.25 38.03 2dm0 s ASN 102 CO 0.67 -0.11 2.03 0.00 -2.94 0.00 0.00 177.10 176.76 2dm0 s ALA 103 N 1.44 3.14 -0.67 3.54 0.00 -1.14 -3.36 121.76 124.71 2dm0 s ALA 103 Ca 0.01 0.95 0.05 0.00 0.00 0.00 0.00 51.96 52.97 2dm0 s ALA 103 Cb -0.15 -3.95 0.21 0.00 0.00 0.00 0.00 23.12 19.23 2dm0 s ALA 103 CO -0.09 -2.19 0.61 0.00 0.00 0.00 0.00 175.76 174.08 2dm0 n ALA 104 N 9.59 3.71 0.00 0.00 0.00 -1.26 -4.93 120.51 127.61 2dm0 n ALA 104 Ca 0.24 -4.63 0.00 0.00 0.00 0.00 0.00 53.44 49.05 2dm0 n ALA 104 Cb 0.43 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 1.45 1.34 2.60 0.00 0.00 -1.26 -4.71 105.19 104.61 2dm0 n GLY 105 Ca 0.25 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 2dm0 n GLY 105 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2dm0 n LEU 106 N 0.00 -4.41 -1.66 0.99 -0.00 -1.26 -4.75 117.00 105.91 2dm0 n LEU 106 Ca 0.00 0.29 -0.11 0.00 -0.00 0.00 0.00 56.01 56.19 2dm0 n LEU 106 Cb 0.00 -0.67 0.04 0.00 -0.00 0.00 0.00 43.42 42.79 2dm0 n LEU 106 CO 0.00 -4.74 1.03 0.23 -0.00 0.00 0.00 177.39 173.92 2dm0 n MET 107 N 1.82 1.52 -3.61 1.47 2.81 -1.26 -4.83 117.12 115.04 2dm0 n MET 107 Ca 0.01 -1.08 -0.04 0.00 -1.81 0.00 0.00 57.70 54.78 2dm0 n MET 107 Cb 0.45 -1.42 -0.03 0.00 -0.71 0.00 0.00 33.22 31.50 2dm0 n MET 107 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 2dm0 s THR 108 N -1.46 0.00 -0.47 2.03 -1.32 -1.26 -5.12 115.64 108.03 2dm0 s THR 108 Ca 0.21 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.54 2dm0 s THR 108 Cb 0.17 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 70.24 2dm0 s THR 108 CO 0.01 0.00 0.40 -0.60 -2.21 0.00 0.00 174.62 172.22 2dm0 s ARG 109 N -1.81 2.96 -0.34 7.08 3.52 -1.26 -4.86 118.95 124.24 2dm0 s ARG 109 Ca 0.08 -1.39 -0.31 0.00 -0.13 0.00 0.00 55.73 53.98 2dm0 s ARG 109 Cb -0.01 -4.13 -0.13 0.00 -1.56 0.00 0.00 34.95 29.12 2dm0 s ARG 109 CO -0.05 -1.05 1.19 1.28 -0.81 0.00 0.00 175.30 175.87 2dm0 n LEU 110 N 5.19 0.72 -0.06 -0.88 4.77 -1.26 -4.83 117.00 120.65 2dm0 n LEU 110 Ca -0.12 0.70 -0.10 0.00 -0.03 0.00 0.00 56.01 56.45 2dm0 n LEU 110 Cb 0.43 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 2dm0 n LEU 110 CO 0.47 -0.55 -0.67 0.54 -1.33 0.00 0.00 177.39 175.85 2dm0 n ARG 111 N 3.43 0.35 -3.42 3.23 3.00 -1.26 -4.88 116.66 117.11 2dm0 n ARG 111 Ca 0.26 0.15 -0.44 0.00 -0.01 0.00 0.00 57.85 57.81 2dm0 n ARG 111 Cb -0.04 -1.11 -0.05 0.00 0.00 0.00 0.00 32.46 31.26 2dm0 n ARG 111 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 2dm0 s TYR 112 N -2.49 3.49 -1.17 -1.55 1.51 -1.26 -5.00 117.35 110.87 2dm0 s TYR 112 Ca -0.21 -1.84 -0.23 0.00 -1.01 0.00 0.00 57.07 53.78 2dm0 s TYR 112 Cb 0.05 -3.66 -0.09 0.00 -0.11 0.00 0.00 41.96 38.14 2dm0 s TYR 112 CO 0.29 -0.98 1.93 -0.35 -1.11 0.00 0.00 175.55 175.33 2dm0 n PRO 113 N 4.52 1.59 -1.53 -1.71 -0.04 -1.26 -3.25 135.00 133.32 2dm0 n PRO 113 Ca -0.00 -2.44 -0.54 0.00 -0.04 0.00 0.00 63.50 60.47 2dm0 n PRO 113 Cb 0.42 -3.70 -0.08 0.00 -0.04 0.00 0.00 33.50 30.11 2dm0 n PRO 113 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2dm0 n VAL 114 N 7.74 0.23 -3.57 0.52 0.31 -1.17 -4.64 118.33 117.75 2dm0 n VAL 114 Ca 0.45 -0.15 -0.21 0.00 -0.01 0.00 0.00 64.34 64.42 2dm0 n VAL 114 Cb 0.46 -1.39 -0.03 0.00 -0.91 0.00 0.00 33.84 31.97 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 5.73 2.10 0.16 2.92 0.00 -1.26 -3.97 107.32 112.99 2dm0 s GLY 115 Ca 1.06 -1.86 -0.12 0.00 0.00 0.00 0.00 44.72 43.80 2dm0 s GLY 115 CO 0.57 -1.68 1.06 1.04 0.00 0.00 0.00 173.10 174.09 2dm0 n LEU 116 N -1.54 -0.45 -4.52 0.66 4.32 -0.47 -3.79 117.00 111.21 2dm0 n LEU 116 Ca 0.03 1.19 -0.16 0.00 -0.02 0.00 0.00 56.01 57.05 2dm0 n LEU 116 Cb 0.61 -0.27 -0.14 0.00 -1.62 0.00 0.00 43.42 42.01 2dm0 n LEU 116 CO 0.42 -1.07 1.57 1.15 -1.22 0.00 0.00 177.39 178.24 2dm0 n MET 117 N -5.00 0.31 0.00 3.23 0.00 -1.26 -4.42 117.12 109.97 2dm0 n MET 117 Ca 0.07 -0.51 0.00 0.00 0.00 0.00 0.00 57.70 57.26 2dm0 n MET 117 Cb 0.27 -2.54 0.00 0.00 0.00 0.00 0.00 33.22 30.95 2dm0 n MET 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2dm0 n GLY 118 N 6.21 -0.02 3.94 3.17 0.00 -1.25 -5.10 105.19 112.14 2dm0 n GLY 118 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.57 2dm0 n GLY 118 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dm0 s SER 119 N -1.39 0.01 0.17 1.61 0.15 -1.26 -5.11 113.70 107.87 2dm0 s SER 119 Ca 0.00 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.24 2dm0 s SER 119 Cb 0.00 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 2dm0 s SER 119 CO 0.00 -0.59 0.00 -0.24 1.20 0.00 0.00 173.24 173.61 2dm0 n SER 120 N -1.13 0.17 -2.91 5.45 2.88 -1.26 -5.11 113.62 111.70 2dm0 n SER 120 Ca 0.01 0.27 -0.08 0.00 -1.33 0.00 0.00 58.87 57.74 2dm0 n SER 120 Cb 0.59 0.13 0.01 0.00 -0.75 0.00 0.00 64.21 64.18 2dm0 n SER 120 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm0 n GLY 121 N 2.16 -2.03 3.77 0.46 0.00 -1.26 -4.95 105.19 103.33 2dm0 n GLY 121 Ca 0.00 0.89 -0.34 0.00 0.00 0.00 0.00 46.02 46.57 2dm0 n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dm0 s PRO 122 N -2.14 3.07 -0.33 1.61 0.04 -1.26 -4.99 135.00 131.00 2dm0 s PRO 122 Ca 0.16 1.49 0.06 0.00 0.04 0.00 0.00 61.00 62.76 2dm0 s PRO 122 Cb -0.04 -1.98 0.45 0.00 0.04 0.00 0.00 34.50 32.97 2dm0 s PRO 122 CO 0.73 -1.05 1.17 0.45 0.04 0.00 0.00 177.00 178.34 2dm0 n SER 123 N -1.88 4.89 -4.73 6.66 2.88 -1.26 -5.06 113.62 115.11 2dm0 n SER 123 Ca 0.11 -3.74 -0.42 0.00 -1.33 0.00 0.00 58.87 53.48 2dm0 n SER 123 Cb 0.51 -0.37 -0.02 0.00 -0.75 0.00 0.00 64.21 63.58 2dm0 n SER 123 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dm0 n SER 124 N -0.65 3.67 0.00 -3.46 7.64 -1.26 -5.38 113.62 114.18 2dm0 n SER 124 Ca 0.43 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.44 2dm0 n SER 124 Cb 0.89 -1.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 2dm0 n SER 124 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64