#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 6.21 -0.51 1.61 0.15 -1.26 -4.90 113.70 115.00 2dm0 s SER 2 Ca 0.00 -1.17 -0.02 0.00 0.70 0.00 0.00 55.95 55.46 2dm0 s SER 2 Cb 0.00 -2.39 0.30 0.00 -1.71 0.00 0.00 66.02 62.22 2dm0 s SER 2 CO 0.00 -1.34 2.12 -1.54 1.20 0.00 0.00 173.24 173.68 2dm0 n SER 3 N 7.30 7.03 -0.13 5.45 3.41 -1.26 -5.02 113.62 130.39 2dm0 n SER 3 Ca -0.03 -3.42 0.00 0.00 -0.26 0.00 0.00 58.87 55.16 2dm0 n SER 3 Cb 0.45 -1.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 2dm0 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dm0 n GLY 4 N -0.13 0.48 4.01 5.00 0.00 -1.26 -4.84 105.19 108.44 2dm0 n GLY 4 Ca 0.47 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.41 -3.16 0.16 1.61 7.64 -1.26 -4.87 113.62 110.33 2dm0 n SER 5 Ca 0.00 -0.90 -0.16 0.00 1.01 0.00 0.00 58.87 58.82 2dm0 n SER 5 Cb 0.00 -3.38 -0.09 0.00 -1.01 0.00 0.00 64.21 59.73 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 -1.83 -1.41 0.00 6.43 0.02 -2.01 -3.47 113.55 111.29 2dm0 h SER 6 Ca -0.60 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2dm0 h SER 6 Cb 1.38 0.51 0.00 0.00 0.14 0.00 0.00 62.40 64.43 2dm0 h SER 6 CO 0.69 -0.56 0.00 0.61 -1.14 0.00 0.00 176.83 176.43 2dm0 n GLY 7 N -1.50 0.42 3.73 -3.77 0.00 -1.26 -4.81 105.19 98.01 2dm0 n GLY 7 Ca -0.09 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 2dm0 n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dm0 s ASN 8 N -4.00 7.30 -0.33 1.61 2.47 -1.26 -5.02 114.94 115.70 2dm0 s ASN 8 Ca 0.00 1.98 -0.11 0.00 0.42 0.00 0.00 52.86 55.15 2dm0 s ASN 8 Cb 0.00 -2.59 0.00 0.00 -1.45 0.00 0.00 41.25 37.21 2dm0 s ASN 8 CO 0.00 -0.22 0.18 -0.54 -3.72 0.00 0.00 177.10 172.80 2dm0 s LYS 9 N 0.02 3.23 0.44 0.43 3.01 -1.26 -5.08 119.74 120.53 2dm0 s LYS 9 Ca 0.50 -0.80 -0.23 0.00 -1.01 0.00 0.00 55.97 54.44 2dm0 s LYS 9 Cb -0.27 -3.66 -0.09 0.00 -1.01 0.00 0.00 37.83 32.80 2dm0 s LYS 9 CO 0.32 -0.50 1.06 0.42 0.51 0.00 0.00 175.35 177.16 2dm0 s ILE 10 N 1.62 3.68 -0.35 2.17 1.01 -1.26 -5.04 121.20 123.04 2dm0 s ILE 10 Ca 0.04 1.20 -0.00 0.00 0.00 0.00 0.00 60.65 61.88 2dm0 s ILE 10 Cb -0.18 -3.57 0.12 0.00 0.01 0.00 0.00 42.46 38.84 2dm0 s ILE 10 CO 0.07 -0.08 0.17 -0.89 0.00 0.00 0.00 174.94 174.20 2dm0 s THR 11 N -1.76 0.64 -0.40 2.92 2.01 -1.26 -5.10 115.64 112.69 2dm0 s THR 11 Ca 0.62 -1.64 -0.21 0.00 0.31 0.00 0.00 61.69 60.77 2dm0 s THR 11 Cb -0.21 -1.48 0.01 0.00 0.01 0.00 0.00 72.50 70.84 2dm0 s THR 11 CO 0.25 -0.82 0.65 0.54 -0.69 0.00 0.00 174.62 174.56 2dm0 s ASN 12 N 1.26 6.37 -0.04 3.53 4.22 -1.26 -4.85 114.94 124.18 2dm0 s ASN 12 Ca 0.14 -0.11 0.03 0.00 -2.14 0.00 0.00 52.86 50.78 2dm0 s ASN 12 Cb -0.20 -2.33 -0.04 0.00 1.28 0.00 0.00 41.25 39.96 2dm0 s ASN 12 CO -0.14 -0.71 0.00 0.18 -2.04 0.00 0.00 177.10 174.39 2dm0 n LEU 13 N 6.21 0.51 -0.33 3.54 4.77 -1.26 -4.67 117.00 125.77 2dm0 n LEU 13 Ca -0.01 -0.00 0.25 0.00 -0.03 0.00 0.00 56.01 56.21 2dm0 n LEU 13 Cb 0.48 0.05 0.48 0.00 -2.33 0.00 0.00 43.42 42.10 2dm0 n LEU 13 CO 0.52 0.17 1.06 1.05 -1.33 0.00 0.00 177.39 178.86 2dm0 h GLU 14 N 0.00 0.18 -1.04 3.23 4.11 -1.89 0.55 114.58 119.73 2dm0 h GLU 14 Ca -0.10 -0.01 0.31 0.00 0.07 0.00 0.00 59.36 59.63 2dm0 h GLU 14 Cb 1.21 -0.04 -0.13 0.00 0.50 0.00 0.00 28.75 30.28 2dm0 h GLU 14 CO 0.00 0.12 0.62 -0.84 0.07 0.00 0.00 179.01 178.98 2dm0 h ILE 15 N 0.19 0.36 -4.30 -1.06 3.07 -1.97 -3.40 117.51 110.39 2dm0 h ILE 15 Ca 0.75 -0.13 -0.49 0.00 1.55 0.00 0.00 64.86 66.54 2dm0 h ILE 15 Cb 1.78 -0.04 0.11 0.00 -0.27 0.00 0.00 36.82 38.40 2dm0 h ILE 15 CO -0.69 0.07 0.34 -0.31 -1.05 0.00 0.00 178.15 176.51 2dm0 s TYR 16 N -5.63 2.86 -0.16 0.16 2.02 0.19 -5.00 117.35 111.79 2dm0 s TYR 16 Ca -0.10 1.17 0.16 0.00 -0.37 0.00 0.00 57.07 57.93 2dm0 s TYR 16 Cb 0.29 -3.10 -0.22 0.00 -0.40 0.00 0.00 41.96 38.53 2dm0 s TYR 16 CO 0.80 -1.71 0.08 -0.85 -1.57 0.00 0.00 175.55 172.30 2dm0 n GLU 17 N -3.40 1.13 0.02 -0.62 0.00 -1.26 -4.29 120.64 112.22 2dm0 n GLU 17 Ca 0.07 -0.02 0.09 0.00 0.00 0.00 0.00 57.16 57.30 2dm0 n GLU 17 Cb 0.56 -1.44 0.37 0.00 0.00 0.00 0.00 31.44 30.93 2dm0 n GLU 17 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.13 174.46 2dm0 n TRP 18 N -2.60 0.12 -2.52 -1.84 4.27 -1.25 -3.39 117.44 110.22 2dm0 n TRP 18 Ca -0.26 0.04 -0.43 0.00 -3.89 0.00 0.00 57.50 52.96 2dm0 n TRP 18 Cb 1.02 -0.57 0.00 0.00 -1.36 0.00 0.00 31.31 30.40 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 -1.60 3.87 -2.11 -2.67 9.36 -1.26 0.02 117.16 122.76 2dm0 n TYR 19 Ca 0.04 -3.02 -0.43 0.00 3.32 0.00 0.00 57.90 57.81 2dm0 n TYR 19 Cb 0.20 -2.14 -0.02 0.00 -0.63 0.00 0.00 39.34 36.75 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 1.36 2.02 0.22 2.98 3.76 -0.83 -4.86 115.29 119.94 2dm0 s HIS 20 Ca 0.43 0.62 0.09 0.00 -0.15 0.00 0.00 55.06 56.05 2dm0 s HIS 20 Cb 0.05 -4.15 -0.04 0.00 1.11 0.00 0.00 32.58 29.55 2dm0 s HIS 20 CO 0.00 -2.70 -0.05 -0.98 -0.85 0.00 0.00 174.74 170.16 2dm0 s ARG 21 N 5.28 2.18 -0.70 1.40 3.03 -1.26 -3.73 118.95 125.15 2dm0 s ARG 21 Ca 0.73 -1.33 -0.05 0.00 2.03 0.00 0.00 55.73 57.12 2dm0 s ARG 21 Cb -0.21 -2.17 0.01 0.00 -1.03 0.00 0.00 34.95 31.55 2dm0 s ARG 21 CO 0.33 0.40 0.60 -1.71 -1.13 0.00 0.00 175.30 173.79 2dm0 n ASN 22 N -0.40 -4.25 -4.16 -2.89 5.15 -1.26 -5.04 115.26 102.42 2dm0 n ASN 22 Ca -0.09 -0.27 -0.25 0.00 -0.60 0.00 0.00 54.58 53.37 2dm0 n ASN 22 Cb 0.57 -2.82 -0.08 0.00 -0.53 0.00 0.00 39.78 36.92 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 -3.16 0.66 0.18 -1.44 -4.36 -1.26 -5.16 121.20 106.66 2dm0 s ILE 23 Ca 0.30 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.73 2dm0 s ILE 23 Cb -0.13 -2.40 -0.05 0.00 1.25 0.00 0.00 42.46 41.13 2dm0 s ILE 23 CO 0.37 0.00 -0.06 0.28 0.24 0.00 0.00 174.94 175.77 2dm0 s THR 24 N -3.23 1.09 0.19 8.37 -1.32 -1.26 -4.89 115.64 114.60 2dm0 s THR 24 Ca 0.25 -2.05 -0.11 0.00 -1.21 0.00 0.00 61.69 58.57 2dm0 s THR 24 Cb 0.03 -2.03 0.24 0.00 -1.51 0.00 0.00 72.50 69.24 2dm0 s THR 24 CO 0.14 -0.59 1.22 -1.14 -2.21 0.00 0.00 174.62 172.05 2dm0 n ARG 25 N -0.27 -0.15 -0.05 7.08 3.00 -1.26 0.86 116.66 125.87 2dm0 n ARG 25 Ca -0.08 1.22 -0.08 0.00 -0.00 0.00 0.00 57.85 58.90 2dm0 n ARG 25 Cb 0.62 -1.81 -0.01 0.00 0.00 0.00 0.00 32.46 31.26 2dm0 n ARG 25 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 2dm0 h ASN 26 N 0.00 -0.53 0.06 6.15 2.35 -1.99 -1.79 115.58 119.82 2dm0 h ASN 26 Ca 0.31 0.11 0.02 0.00 -0.55 0.00 0.00 56.30 56.19 2dm0 h ASN 26 Cb 0.50 0.27 -0.03 0.00 0.05 0.00 0.00 38.32 39.11 2dm0 h ASN 26 CO -0.79 -0.20 -0.22 1.56 -1.65 0.00 0.00 177.43 176.13 2dm0 h GLN 27 N -0.15 -0.37 -0.34 0.81 1.08 0.08 0.39 115.11 116.61 2dm0 h GLN 27 Ca 0.13 0.02 0.05 0.00 -1.45 0.00 0.00 58.65 57.41 2dm0 h GLN 27 Cb 0.35 0.08 -0.08 0.00 -0.05 0.00 0.00 27.48 27.78 2dm0 h GLN 27 CO -0.33 -0.24 -0.49 0.00 -0.95 0.00 0.00 178.83 176.82 2dm0 h ALA 28 N 0.45 -0.63 0.83 3.87 0.00 -0.67 0.43 119.26 123.54 2dm0 h ALA 28 Ca 0.04 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2dm0 h ALA 28 Cb 0.43 0.98 0.01 0.00 0.00 0.00 0.00 17.79 19.21 2dm0 h ALA 28 CO -0.16 -0.97 -0.40 0.93 0.00 0.00 0.00 179.25 178.65 2dm0 h GLU 29 N -0.41 -1.07 -0.40 0.00 5.08 -1.14 -3.11 114.58 113.53 2dm0 h GLU 29 Ca 0.10 0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.57 2dm0 h GLU 29 Cb 0.61 0.24 -0.06 0.00 0.50 0.00 0.00 28.75 30.04 2dm0 h GLU 29 CO -0.55 -0.72 -0.39 1.25 -1.00 0.00 0.00 179.01 177.61 2dm0 h HIS 30 N -1.25 -1.21 -0.77 4.33 2.76 -0.01 -0.23 115.15 118.77 2dm0 h HIS 30 Ca -0.11 0.07 0.15 0.00 -2.20 0.00 0.00 60.37 58.27 2dm0 h HIS 30 Cb 0.85 0.58 -0.14 0.00 1.55 0.00 0.00 27.41 30.25 2dm0 h HIS 30 CO 0.01 -0.31 -0.21 1.28 -1.30 0.00 0.00 177.93 177.39 2dm0 n LEU 31 N -4.54 -0.32 0.07 0.26 4.77 0.15 0.10 117.00 117.49 2dm0 n LEU 31 Ca -0.01 1.33 -0.12 0.00 -0.03 0.00 0.00 56.01 57.18 2dm0 n LEU 31 Cb 0.22 -0.38 -0.06 0.00 -2.33 0.00 0.00 43.42 40.86 2dm0 n LEU 31 CO -0.03 -1.26 0.82 -0.07 -1.33 0.00 0.00 177.39 175.52 2dm0 h LEU 32 N 0.00 -0.21 -0.97 2.23 3.38 -0.99 -2.55 115.31 116.21 2dm0 h LEU 32 Ca 0.35 0.03 0.31 0.00 0.09 0.00 0.00 57.88 58.65 2dm0 h LEU 32 Cb 0.54 0.08 -0.17 0.00 0.09 0.00 0.00 40.66 41.20 2dm0 h LEU 32 CO -0.79 -0.12 0.24 0.03 0.09 0.00 0.00 178.44 177.89 2dm0 h ARG 33 N -0.15 0.06 -0.98 1.13 2.47 0.14 0.98 114.38 118.03 2dm0 h ARG 33 Ca 0.02 -0.00 0.18 0.00 -1.26 0.00 0.00 59.98 58.91 2dm0 h ARG 33 Cb 0.17 -0.01 -0.10 0.00 -1.65 0.00 0.00 29.97 28.37 2dm0 h ARG 33 CO -0.05 0.04 0.58 1.96 0.56 0.00 0.00 179.97 183.07 2dm0 h GLN 34 N 0.06 0.74 -0.04 0.04 4.20 -1.07 -1.88 115.11 117.16 2dm0 h GLN 34 Ca 0.67 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 59.28 2dm0 h GLN 34 Cb 1.52 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 29.14 2dm0 h GLN 34 CO -0.82 0.49 -0.18 0.93 -0.67 0.00 0.00 178.83 178.58 2dm0 h GLU 35 N 0.76 0.19 -6.21 1.46 4.39 0.90 -3.48 114.58 112.60 2dm0 h GLU 35 Ca 0.55 -0.15 -0.45 0.00 0.34 0.00 0.00 59.36 59.65 2dm0 h GLU 35 Cb 0.82 0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.51 2dm0 h GLU 35 CO -0.37 0.81 -0.82 0.43 -1.16 0.00 0.00 179.01 177.90 2dm0 n SER 36 N -4.57 -2.03 -3.90 1.42 7.64 -0.71 -4.98 113.62 106.48 2dm0 n SER 36 Ca -0.09 -0.84 -0.10 0.00 1.01 0.00 0.00 58.87 58.86 2dm0 n SER 36 Cb 0.43 -3.86 -0.09 0.00 -1.01 0.00 0.00 64.21 59.68 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 -6.24 0.56 -0.31 1.43 -2.85 -1.26 -5.03 119.74 106.04 2dm0 s LYS 37 Ca 0.19 -0.63 -0.29 0.00 -1.00 0.00 0.00 55.97 54.24 2dm0 s LYS 37 Cb -0.09 0.22 0.01 0.00 -2.06 0.00 0.00 37.83 35.91 2dm0 s LYS 37 CO 0.83 -0.14 1.25 -2.00 0.10 0.00 0.00 175.35 175.39 2dm0 s GLU 38 N -2.21 3.94 0.00 1.78 2.12 -1.26 -3.52 118.70 119.55 2dm0 s GLU 38 Ca -0.08 1.19 0.00 0.00 0.36 0.00 0.00 54.97 56.44 2dm0 s GLU 38 Cb -0.03 -3.85 0.00 0.00 0.26 0.00 0.00 34.13 30.51 2dm0 s GLU 38 CO -0.03 -1.08 0.00 0.41 -0.54 0.00 0.00 175.26 174.02 2dm0 n GLY 39 N 4.24 2.52 3.61 -1.50 0.00 -1.21 -4.77 105.19 108.09 2dm0 n GLY 39 Ca 0.14 -0.30 -0.49 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.19 -3.04 4.61 0.00 -1.23 -3.12 120.51 117.55 2dm0 n ALA 40 Ca 0.00 0.47 -0.11 0.00 0.00 0.00 0.00 53.44 53.80 2dm0 n ALA 40 Cb 0.00 -2.14 -0.05 0.00 0.00 0.00 0.00 19.45 17.26 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 0.28 -0.22 0.09 0.00 -0.71 -1.13 0.04 117.98 116.32 2dm0 s PHE 41 Ca 0.78 -0.03 -0.23 0.00 -1.04 0.00 0.00 56.93 56.40 2dm0 s PHE 41 Cb -0.83 0.25 0.06 0.00 -1.21 0.00 0.00 43.02 41.29 2dm0 s PHE 41 CO 0.47 -0.67 0.57 0.96 -1.34 0.00 0.00 175.22 175.21 2dm0 s ILE 42 N -3.49 0.02 -0.27 -4.49 -4.36 -1.04 -3.49 121.20 104.06 2dm0 s ILE 42 Ca 0.01 -0.14 0.03 0.00 -0.26 0.00 0.00 60.65 60.29 2dm0 s ILE 42 Cb 0.01 -1.01 0.07 0.00 1.25 0.00 0.00 42.46 42.78 2dm0 s ILE 42 CO -0.10 -0.08 -0.08 -0.69 0.24 0.00 0.00 174.94 174.23 2dm0 s VAL 43 N -2.95 2.16 0.35 8.37 1.01 0.10 -1.10 120.40 128.35 2dm0 s VAL 43 Ca -0.03 -1.73 0.05 0.00 0.00 0.00 0.00 61.98 60.27 2dm0 s VAL 43 Cb -0.00 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 2dm0 s VAL 43 CO -0.06 -0.12 0.51 0.00 0.00 0.00 0.00 175.10 175.44 2dm0 s ARG 44 N 1.08 3.15 -0.13 2.72 1.70 -0.72 -1.96 118.95 124.79 2dm0 s ARG 44 Ca -0.06 -0.83 -0.11 0.00 -0.47 0.00 0.00 55.73 54.26 2dm0 s ARG 44 Cb -0.20 -2.76 -0.05 0.00 -0.57 0.00 0.00 34.95 31.38 2dm0 s ARG 44 CO -0.06 0.02 0.24 0.16 -1.08 0.00 0.00 175.30 174.58 2dm0 s ASP 45 N -4.16 6.44 0.19 -2.89 -4.77 -1.26 -2.14 116.67 108.08 2dm0 s ASP 45 Ca 0.44 0.52 -0.30 0.00 -3.30 0.00 0.00 52.55 49.92 2dm0 s ASP 45 Cb -0.10 -2.14 -0.08 0.00 -1.09 0.00 0.00 42.92 39.51 2dm0 s ASP 45 CO 0.33 0.24 1.21 -0.44 0.70 0.00 0.00 175.17 177.21 2dm0 s SER 46 N -0.25 7.06 -0.06 2.11 0.01 0.32 -4.93 113.70 117.96 2dm0 s SER 46 Ca 0.16 2.26 -0.23 0.00 1.31 0.00 0.00 55.95 59.45 2dm0 s SER 46 Cb -0.13 -2.61 -0.29 0.00 0.21 0.00 0.00 66.02 63.20 2dm0 s SER 46 CO 0.04 -0.39 0.91 -0.09 0.41 0.00 0.00 173.24 174.12 2dm0 h ARG 47 N 5.20 0.25 -0.99 12.44 9.65 -1.97 -3.31 114.38 135.64 2dm0 h ARG 47 Ca -0.45 -0.39 0.16 0.00 -1.10 0.00 0.00 59.98 58.20 2dm0 h ARG 47 Cb 1.21 0.14 -0.09 0.00 -1.39 0.00 0.00 29.97 29.84 2dm0 h ARG 47 CO 0.74 1.16 0.62 1.12 2.80 0.00 0.00 179.97 186.41 2dm0 h HIS 48 N -0.46 1.05 -3.48 2.20 2.07 -1.99 -3.45 115.15 111.10 2dm0 h HIS 48 Ca -0.10 0.03 -0.12 0.00 -2.85 0.00 0.00 60.37 57.33 2dm0 h HIS 48 Cb 1.45 -0.32 -0.04 0.00 2.57 0.00 0.00 27.41 31.07 2dm0 h HIS 48 CO 0.20 0.32 0.07 -1.17 -3.07 0.00 0.00 177.93 174.29 2dm0 s LEU 49 N -10.17 0.42 0.00 6.12 2.96 -1.25 -5.02 118.68 111.73 2dm0 s LEU 49 Ca -0.11 -1.26 -0.02 0.00 -0.22 0.00 0.00 54.13 52.52 2dm0 s LEU 49 Cb 0.24 2.25 -0.11 0.00 0.50 0.00 0.00 46.19 49.07 2dm0 s LEU 49 CO 0.80 -1.50 2.20 0.61 -1.32 0.00 0.00 176.35 177.14 2dm0 n GLY 50 N -0.54 2.24 4.02 7.98 0.00 -1.26 -3.98 105.19 113.64 2dm0 n GLY 50 Ca -0.04 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.26 2dm0 n GLY 50 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm0 s SER 51 N 2.16 4.56 -0.00 1.61 0.01 -1.26 -4.90 113.70 115.87 2dm0 s SER 51 Ca 0.28 -0.67 -0.00 0.00 1.31 0.00 0.00 55.95 56.87 2dm0 s SER 51 Cb 0.13 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.66 2dm0 s SER 51 CO 0.00 -1.74 0.01 -0.31 0.41 0.00 0.00 173.24 171.61 2dm0 s TYR 52 N -2.98 -0.00 -0.06 2.43 1.51 -1.26 -0.52 117.35 116.47 2dm0 s TYR 52 Ca 0.66 0.03 0.02 0.00 -1.01 0.00 0.00 57.07 56.76 2dm0 s TYR 52 Cb -0.05 -0.02 0.02 0.00 -0.11 0.00 0.00 41.96 41.80 2dm0 s TYR 52 CO 0.43 -0.01 -0.10 0.99 -1.11 0.00 0.00 175.55 175.74 2dm0 s THR 53 N 0.11 1.00 0.14 -0.71 2.01 -0.91 0.65 115.64 117.92 2dm0 s THR 53 Ca -0.01 -0.39 -0.11 0.00 0.31 0.00 0.00 61.69 61.50 2dm0 s THR 53 Cb -0.01 -0.93 -0.06 0.00 0.01 0.00 0.00 72.50 71.50 2dm0 s THR 53 CO -0.00 0.33 0.47 -0.63 -0.69 0.00 0.00 174.62 174.10 2dm0 s ILE 54 N 0.78 5.00 -0.31 1.82 1.01 0.21 -1.76 121.20 127.95 2dm0 s ILE 54 Ca -0.13 0.53 -0.01 0.00 0.00 0.00 0.00 60.65 61.04 2dm0 s ILE 54 Cb -0.15 -3.66 0.10 0.00 0.01 0.00 0.00 42.46 38.75 2dm0 s ILE 54 CO 0.02 0.18 0.09 -0.44 0.00 0.00 0.00 174.94 174.79 2dm0 s SER 55 N -1.93 3.99 0.09 3.58 0.01 -0.26 -0.60 113.70 118.58 2dm0 s SER 55 Ca 0.38 -1.60 -0.00 0.00 1.31 0.00 0.00 55.95 56.04 2dm0 s SER 55 Cb -0.14 -0.85 -0.04 0.00 0.21 0.00 0.00 66.02 65.20 2dm0 s SER 55 CO 0.20 -0.41 0.25 -0.69 0.41 0.00 0.00 173.24 172.99 2dm0 s VAL 56 N 1.63 5.35 -0.27 3.43 1.01 -1.20 -2.51 120.40 127.84 2dm0 s VAL 56 Ca 0.09 -0.38 -0.12 0.00 0.00 0.00 0.00 61.98 61.57 2dm0 s VAL 56 Cb -0.17 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 2dm0 s VAL 56 CO -0.25 0.08 0.24 0.12 0.00 0.00 0.00 175.10 175.29 2dm0 s PHE 57 N -1.58 3.24 -0.20 5.22 2.19 0.11 -1.45 117.98 125.51 2dm0 s PHE 57 Ca 0.36 0.23 -0.21 0.00 0.33 0.00 0.00 56.93 57.63 2dm0 s PHE 57 Cb -0.13 -2.42 -0.20 0.00 -1.31 0.00 0.00 43.02 38.97 2dm0 s PHE 57 CO 0.28 -0.14 0.23 0.52 1.83 0.00 0.00 175.22 177.94 2dm0 h MET 58 N 8.17 0.01 -0.59 10.12 2.86 -0.40 -3.19 114.93 131.91 2dm0 h MET 58 Ca -0.35 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 2dm0 h MET 58 Cb 1.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.84 2dm0 h MET 58 CO 0.59 1.01 0.00 0.41 1.06 0.00 0.00 176.91 179.98 2dm0 n GLY 59 N 1.45 -1.43 3.94 8.32 0.00 -0.97 -4.51 105.19 112.00 2dm0 n GLY 59 Ca -0.31 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.46 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 0.00 2.43 -0.06 4.61 0.00 -1.26 -4.61 121.76 122.87 2dm0 s ALA 60 Ca 0.00 -1.25 -0.01 0.00 0.00 0.00 0.00 51.96 50.71 2dm0 s ALA 60 Cb 0.00 -2.69 0.01 0.00 0.00 0.00 0.00 23.12 20.44 2dm0 s ALA 60 CO 0.00 -2.29 2.17 0.54 0.00 0.00 0.00 175.76 176.18 2dm0 n ARG 61 N -3.64 1.25 -3.61 0.00 5.12 -1.26 -4.77 116.66 109.75 2dm0 n ARG 61 Ca 0.15 -0.39 -0.05 0.00 -1.93 0.00 0.00 57.85 55.63 2dm0 n ARG 61 Cb 0.60 -1.22 -0.04 0.00 -1.16 0.00 0.00 32.46 30.64 2dm0 n ARG 61 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2dm0 s ARG 62 N -0.23 0.28 -0.00 5.56 6.06 -1.26 -5.04 118.95 124.31 2dm0 s ARG 62 Ca 0.12 0.02 -0.23 0.00 -2.50 0.00 0.00 55.73 53.15 2dm0 s ARG 62 Cb 0.08 0.13 -0.18 0.00 0.06 0.00 0.00 34.95 35.03 2dm0 s ARG 62 CO -0.00 -0.10 1.24 1.03 -2.50 0.00 0.00 175.30 174.97 2dm0 h SER 63 N 2.19 0.21 0.00 -2.12 0.87 -2.01 -2.99 113.55 109.70 2dm0 h SER 63 Ca -0.11 -0.55 0.00 0.00 -1.23 0.00 0.00 61.79 59.90 2dm0 h SER 63 Cb 1.18 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 2dm0 h SER 63 CO 0.25 0.72 0.08 0.00 -0.53 0.00 0.00 176.83 177.35 2dm0 h THR 64 N -0.29 0.00 -2.12 2.23 1.03 -1.98 -3.41 112.91 108.36 2dm0 h THR 64 Ca 0.00 0.00 -0.57 0.00 -0.01 0.00 0.00 66.41 65.84 2dm0 h THR 64 Cb 0.68 0.75 -0.10 0.00 -1.07 0.00 0.00 68.15 68.41 2dm0 h THR 64 CO 0.03 0.00 -0.64 -1.61 -0.01 0.00 0.00 175.52 173.29 2dm0 s GLU 65 N -3.92 2.21 -0.04 0.00 2.02 -1.13 -5.15 118.70 112.69 2dm0 s GLU 65 Ca -0.04 -1.52 -0.27 0.00 0.02 0.00 0.00 54.97 53.16 2dm0 s GLU 65 Cb 0.10 -2.08 0.06 0.00 0.10 0.00 0.00 34.13 32.30 2dm0 s GLU 65 CO 0.31 0.29 0.59 0.00 0.02 0.00 0.00 175.26 176.47 2dm0 s ALA 66 N -2.39 -1.53 -0.06 5.21 0.00 -1.26 -4.25 121.76 117.48 2dm0 s ALA 66 Ca 0.33 1.07 0.06 0.00 0.00 0.00 0.00 51.96 53.41 2dm0 s ALA 66 Cb -0.05 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 2dm0 s ALA 66 CO 0.20 -0.35 -0.24 0.00 0.00 0.00 0.00 175.76 175.36 2dm0 s ALA 67 N -1.27 2.09 -0.02 0.00 0.00 -1.26 -4.64 121.76 116.65 2dm0 s ALA 67 Ca -0.11 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.86 2dm0 s ALA 67 Cb -0.01 -0.67 0.01 0.00 0.00 0.00 0.00 23.12 22.45 2dm0 s ALA 67 CO 0.08 0.38 -0.00 0.42 0.00 0.00 0.00 175.76 176.64 2dm0 s ILE 68 N -0.06 0.12 0.32 0.00 1.01 -1.26 0.34 121.20 121.67 2dm0 s ILE 68 Ca -0.06 0.04 0.07 0.00 0.00 0.00 0.00 60.65 60.69 2dm0 s ILE 68 Cb -0.14 -0.17 -0.02 0.00 0.01 0.00 0.00 42.46 42.14 2dm0 s ILE 68 CO 0.04 0.09 0.41 -0.54 0.00 0.00 0.00 174.94 174.94 2dm0 s LYS 69 N 0.56 3.05 -0.24 2.79 3.01 -0.53 -4.96 119.74 123.42 2dm0 s LYS 69 Ca -0.05 -1.06 -0.04 0.00 -1.01 0.00 0.00 55.97 53.81 2dm0 s LYS 69 Cb -0.08 -2.73 0.08 0.00 -1.01 0.00 0.00 37.83 34.09 2dm0 s LYS 69 CO -0.01 0.12 0.10 -1.01 0.51 0.00 0.00 175.35 175.05 2dm0 s HIS 70 N -2.19 0.56 -0.15 3.18 3.76 -1.26 -3.26 115.29 115.93 2dm0 s HIS 70 Ca 0.43 -0.79 -0.08 0.00 -0.15 0.00 0.00 55.06 54.47 2dm0 s HIS 70 Cb -0.08 -0.95 -0.04 0.00 1.11 0.00 0.00 32.58 32.61 2dm0 s HIS 70 CO 0.30 -0.69 0.11 0.71 -0.85 0.00 0.00 174.74 174.32 2dm0 s TYR 71 N 2.01 3.44 -0.04 1.40 2.02 0.23 -4.93 117.35 121.49 2dm0 s TYR 71 Ca 0.05 0.36 -0.04 0.00 -0.37 0.00 0.00 57.07 57.07 2dm0 s TYR 71 Cb -0.16 -2.03 -0.04 0.00 -0.40 0.00 0.00 41.96 39.33 2dm0 s TYR 71 CO -0.21 0.47 0.17 -0.65 -1.57 0.00 0.00 175.55 173.76 2dm0 s GLN 72 N -0.31 3.44 -0.34 -0.62 -0.21 -1.26 0.67 119.66 121.03 2dm0 s GLN 72 Ca 0.10 -0.26 -0.07 0.00 0.02 0.00 0.00 55.36 55.15 2dm0 s GLN 72 Cb -0.12 -3.12 0.03 0.00 1.00 0.00 0.00 33.01 30.80 2dm0 s GLN 72 CO 0.01 0.70 0.12 0.42 -2.12 0.00 0.00 175.29 174.43 2dm0 s ILE 73 N -1.24 3.99 0.35 1.08 1.01 0.21 -4.52 121.20 122.07 2dm0 s ILE 73 Ca 0.24 -0.99 0.09 0.00 0.00 0.00 0.00 60.65 59.99 2dm0 s ILE 73 Cb -0.12 -3.21 -0.06 0.00 0.01 0.00 0.00 42.46 39.07 2dm0 s ILE 73 CO 0.15 -0.14 -0.04 -0.54 0.00 0.00 0.00 174.94 174.37 2dm0 s LYS 74 N 1.45 1.95 -0.13 2.79 1.02 -1.11 -3.99 119.74 121.72 2dm0 s LYS 74 Ca -0.00 -1.86 -0.01 0.00 0.02 0.00 0.00 55.97 54.13 2dm0 s LYS 74 Cb -0.19 -1.81 -0.02 0.00 -0.52 0.00 0.00 37.83 35.29 2dm0 s LYS 74 CO 0.04 0.13 -0.11 0.21 -0.92 0.00 0.00 175.35 174.70 2dm0 s LYS 75 N -3.67 3.36 0.75 1.68 2.20 -1.26 -1.86 119.74 120.95 2dm0 s LYS 75 Ca 0.34 -0.64 -0.11 0.00 -0.36 0.00 0.00 55.97 55.20 2dm0 s LYS 75 Cb 0.02 -2.68 0.17 0.00 -1.51 0.00 0.00 37.83 33.83 2dm0 s LYS 75 CO 0.18 0.28 1.02 0.27 -0.36 0.00 0.00 175.35 176.74 2dm0 n ASN 76 N 3.36 0.30 0.16 1.43 0.23 -0.84 -4.84 115.26 115.06 2dm0 n ASN 76 Ca -0.18 -1.50 0.11 0.00 -0.53 0.00 0.00 54.58 52.48 2dm0 n ASN 76 Cb 0.53 -0.76 0.64 0.00 -2.08 0.00 0.00 39.78 38.10 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 -1.22 0.04 -0.02 0.53 2.03 -2.00 0.64 116.42 116.41 2dm0 h ASP 77 Ca -0.33 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.97 2dm0 h ASP 77 Cb 0.97 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.46 2dm0 h ASP 77 CO 0.26 0.03 0.00 -0.24 -1.03 0.00 0.00 179.24 178.25 2dm0 n SER 78 N -4.49 0.81 -3.87 4.15 2.88 -1.26 -4.86 113.62 106.98 2dm0 n SER 78 Ca 0.01 -2.02 -0.25 0.00 -1.33 0.00 0.00 58.87 55.28 2dm0 n SER 78 Cb 0.24 -0.34 -0.00 0.00 -0.75 0.00 0.00 64.21 63.37 2dm0 n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm0 n GLY 79 N 0.20 -0.34 3.10 0.46 0.00 0.22 -4.98 105.19 103.85 2dm0 n GLY 79 Ca 0.01 0.18 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 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 -6.37 0.96 0.22 1.61 -0.21 -1.26 -4.90 119.66 109.71 2dm0 s GLN 80 Ca 0.07 -0.56 -0.30 0.00 0.02 0.00 0.00 55.36 54.59 2dm0 s GLN 80 Cb -0.02 -0.94 -0.08 0.00 1.00 0.00 0.00 33.01 32.96 2dm0 s GLN 80 CO 0.87 0.25 0.96 -1.58 -2.12 0.00 0.00 175.29 173.66 2dm0 s TRP 81 N -0.51 3.93 0.14 0.91 0.52 -0.99 -1.98 118.94 120.95 2dm0 s TRP 81 Ca 0.03 1.88 -0.17 0.00 0.02 0.00 0.00 56.10 57.86 2dm0 s TRP 81 Cb -0.06 -3.02 0.04 0.00 -1.15 0.00 0.00 33.47 29.29 2dm0 s TRP 81 CO 0.00 0.33 0.45 1.52 0.02 0.00 0.00 176.95 179.27 2dm0 s TYR 82 N -0.93 -0.26 0.00 -1.98 -0.85 -0.78 0.17 117.35 112.72 2dm0 s TYR 82 Ca 0.43 -0.04 0.00 0.00 -0.52 0.00 0.00 57.07 56.94 2dm0 s TYR 82 Cb -0.26 0.33 0.00 0.00 0.38 0.00 0.00 41.96 42.41 2dm0 s TYR 82 CO 0.32 -0.74 0.00 0.28 -1.52 0.00 0.00 175.55 173.89 2dm0 n VAL 83 N -0.26 0.02 1.81 -3.49 0.31 -1.26 -2.75 118.33 112.70 2dm0 n VAL 83 Ca -0.16 0.01 0.12 0.00 -0.01 0.00 0.00 64.34 64.30 2dm0 n VAL 83 Cb 0.64 -1.23 0.71 0.00 -0.91 0.00 0.00 33.84 33.04 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 -2.88 2.55 -1.98 3.52 0.00 -1.26 -4.86 120.51 115.61 2dm0 n ALA 84 Ca 0.00 -0.15 -0.20 0.00 0.00 0.00 0.00 53.44 53.09 2dm0 n ALA 84 Cb 0.36 -1.39 -0.05 0.00 0.00 0.00 0.00 19.45 18.37 2dm0 n ALA 84 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2dm0 n GLU 85 N -0.91 -1.50 0.00 0.00 1.02 -1.26 -4.74 120.64 113.25 2dm0 n GLU 85 Ca 0.18 1.09 0.00 0.00 -0.02 0.00 0.00 57.16 58.41 2dm0 n GLU 85 Cb 0.08 -5.58 0.00 0.00 -0.02 0.00 0.00 31.44 25.93 2dm0 n GLU 85 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2dm0 n ARG 86 N -2.67 1.01 -3.97 3.49 5.12 -1.26 -5.04 116.66 113.33 2dm0 n ARG 86 Ca -0.22 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.36 2dm0 n ARG 86 Cb 0.67 -0.67 -0.14 0.00 -1.16 0.00 0.00 32.46 31.16 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 -1.34 3.01 -0.05 -1.55 3.76 -1.26 -5.11 115.29 112.75 2dm0 s HIS 87 Ca 0.00 -1.46 -0.01 0.00 -0.15 0.00 0.00 55.06 53.44 2dm0 s HIS 87 Cb 0.00 -2.05 -0.03 0.00 1.11 0.00 0.00 32.58 31.61 2dm0 s HIS 87 CO 0.00 -0.71 0.01 0.00 -0.85 0.00 0.00 174.74 173.19 2dm0 s ALA 88 N 1.35 3.33 0.30 -1.40 0.00 -1.26 -4.26 121.76 119.82 2dm0 s ALA 88 Ca 0.02 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.13 2dm0 s ALA 88 Cb -0.16 -1.46 0.00 0.00 0.00 0.00 0.00 23.12 21.51 2dm0 s ALA 88 CO -0.05 0.62 0.03 1.19 0.00 0.00 0.00 175.76 177.54 2dm0 n PHE 89 N 1.79 0.51 -0.02 0.00 3.01 0.13 -4.89 117.46 117.98 2dm0 n PHE 89 Ca -0.17 -1.47 0.01 0.00 1.01 0.00 0.00 57.45 56.84 2dm0 n PHE 89 Cb 0.53 -0.21 -0.08 0.00 -0.01 0.00 0.00 39.48 39.71 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 -0.81 1.23 -4.10 -1.08 6.02 -1.26 -2.35 117.38 115.03 2dm0 n GLN 90 Ca -0.11 -0.06 -0.14 0.00 -0.01 0.00 0.00 57.00 56.68 2dm0 n GLN 90 Cb 0.38 -1.26 -0.11 0.00 1.02 0.00 0.00 30.24 30.27 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 -3.70 1.09 0.10 1.08 0.01 -1.26 -4.85 113.70 106.18 2dm0 s SER 91 Ca -0.04 -0.63 -0.22 0.00 1.31 0.00 0.00 55.95 56.37 2dm0 s SER 91 Cb 0.05 0.02 -0.11 0.00 0.21 0.00 0.00 66.02 66.19 2dm0 s SER 91 CO 0.44 -0.21 1.75 0.40 0.41 0.00 0.00 173.24 176.03 2dm0 h ILE 92 N 4.22 1.01 0.00 1.44 1.08 -1.98 -1.54 117.51 121.73 2dm0 h ILE 92 Ca -0.37 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.07 2dm0 h ILE 92 Cb 1.20 0.90 0.00 0.00 -3.07 0.00 0.00 36.82 35.84 2dm0 h ILE 92 CO 0.44 0.02 0.00 -0.81 -0.69 0.00 0.00 178.15 177.11 2dm0 n PRO 93 N -5.05 0.43 -0.08 2.37 -0.04 -1.26 -2.64 135.00 128.74 2dm0 n PRO 93 Ca -0.05 0.03 -0.18 0.00 -0.04 0.00 0.00 63.50 63.25 2dm0 n PRO 93 Cb 0.04 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.87 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 -1.06 0.69 -0.28 0.54 1.02 -0.62 -3.35 120.64 117.59 2dm0 n GLU 94 Ca 0.11 0.18 0.05 0.00 -0.02 0.00 0.00 57.16 57.47 2dm0 n GLU 94 Cb 0.07 -1.59 0.26 0.00 -0.02 0.00 0.00 31.44 30.16 2dm0 n GLU 94 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2dm0 h LEU 95 N 0.02 0.86 0.00 -4.62 6.46 -1.22 -1.50 115.31 115.31 2dm0 h LEU 95 Ca -0.52 0.01 -0.12 0.00 -0.12 0.00 0.00 57.88 57.13 2dm0 h LEU 95 Cb 1.97 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 41.70 2dm0 h LEU 95 CO -0.02 0.55 -0.86 0.40 -0.62 0.00 0.00 178.44 177.89 2dm0 h ILE 96 N 0.97 0.66 -0.83 4.05 1.08 -1.75 -3.20 117.51 118.49 2dm0 h ILE 96 Ca 0.38 -2.04 0.20 0.00 -0.39 0.00 0.00 64.86 63.01 2dm0 h ILE 96 Cb 0.22 2.22 -0.13 0.00 -3.07 0.00 0.00 36.82 36.06 2dm0 h ILE 96 CO -0.14 0.38 0.22 -0.25 -0.69 0.00 0.00 178.15 177.67 2dm0 h TRP 97 N 0.00 0.34 0.00 1.37 -0.00 -1.27 -1.88 115.95 114.51 2dm0 h TRP 97 Ca -0.06 0.05 -0.08 0.00 -0.00 0.00 0.00 58.89 58.79 2dm0 h TRP 97 Cb 1.43 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.16 30.56 2dm0 h TRP 97 CO 0.00 -0.15 -0.61 1.88 -0.00 0.00 0.00 178.44 179.56 2dm0 h TYR 98 N 0.25 0.00 -1.17 2.65 -1.99 -1.68 -3.36 116.97 111.67 2dm0 h TYR 98 Ca 0.50 0.00 0.37 0.00 2.00 0.00 0.00 58.73 61.61 2dm0 h TYR 98 Cb 0.95 0.00 -0.08 0.00 2.00 0.00 0.00 36.73 39.60 2dm0 h TYR 98 CO -0.26 0.72 0.80 0.72 -0.00 0.00 0.00 178.16 180.14 2dm0 n HIS 99 N -4.57 0.31 0.16 4.88 8.25 -1.10 0.16 115.22 123.30 2dm0 n HIS 99 Ca -0.16 0.31 -0.14 0.00 -0.26 0.00 0.00 57.72 57.48 2dm0 n HIS 99 Cb 0.41 -0.70 -0.08 0.00 1.12 0.00 0.00 29.99 30.75 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 -0.39 -0.19 -0.41 4.20 -1.49 -3.26 115.11 113.58 2dm0 h GLN 100 Ca 0.66 0.03 -0.02 0.00 0.06 0.00 0.00 58.65 59.37 2dm0 h GLN 100 Cb 2.33 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 30.19 2dm0 h GLN 100 CO -0.21 -0.11 0.04 0.45 -0.67 0.00 0.00 178.83 178.33 2dm0 h HIS 101 N -0.65 0.33 -3.97 2.96 3.86 0.13 -3.37 115.15 114.43 2dm0 h HIS 101 Ca -0.04 -0.04 -0.35 0.00 -1.16 0.00 0.00 60.37 58.78 2dm0 h HIS 101 Cb 0.46 -0.09 -0.25 0.00 1.06 0.00 0.00 27.41 28.59 2dm0 h HIS 101 CO 0.00 0.45 -0.76 -0.80 0.86 0.00 0.00 177.93 177.68 2dm0 s ASN 102 N -5.73 1.03 -0.90 2.45 0.01 -0.34 -5.06 114.94 106.40 2dm0 s ASN 102 Ca -0.14 -0.36 -0.24 0.00 -0.71 0.00 0.00 52.86 51.41 2dm0 s ASN 102 Cb 0.07 -0.05 0.06 0.00 0.41 0.00 0.00 41.25 41.74 2dm0 s ASN 102 CO 0.72 -0.04 1.33 0.00 -1.51 0.00 0.00 177.10 177.60 2dm0 s ALA 103 N -0.78 2.83 -1.11 0.60 0.00 -1.25 -3.45 121.76 118.60 2dm0 s ALA 103 Ca -0.02 -2.03 -0.23 0.00 0.00 0.00 0.00 51.96 49.68 2dm0 s ALA 103 Cb -0.07 -4.35 -0.07 0.00 0.00 0.00 0.00 23.12 18.64 2dm0 s ALA 103 CO 0.00 -3.39 1.92 0.00 0.00 0.00 0.00 175.76 174.30 2dm0 s ALA 104 N 4.86 1.85 0.00 0.00 0.00 -1.26 -3.79 121.76 123.42 2dm0 s ALA 104 Ca 0.39 -2.02 0.00 0.00 0.00 0.00 0.00 51.96 50.34 2dm0 s ALA 104 Cb -0.04 -4.64 0.00 0.00 0.00 0.00 0.00 23.12 18.44 2dm0 s ALA 104 CO -0.01 -5.00 0.00 0.41 0.00 0.00 0.00 175.76 171.16 2dm0 n GLY 105 N 6.10 0.04 3.83 0.00 0.00 -1.26 -4.76 105.19 109.14 2dm0 n GLY 105 Ca 0.43 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.24 2dm0 n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dm0 s LEU 106 N 0.00 3.81 0.00 0.99 2.01 -1.25 -4.92 118.68 119.32 2dm0 s LEU 106 Ca 0.00 -0.27 -0.17 0.00 0.01 0.00 0.00 54.13 53.70 2dm0 s LEU 106 Cb 0.00 -2.35 0.27 0.00 0.01 0.00 0.00 46.19 44.11 2dm0 s LEU 106 CO 0.00 -0.08 0.60 0.80 1.01 0.00 0.00 176.35 178.68 2dm0 n MET 107 N -1.22 -3.22 -0.73 1.70 1.56 -1.26 -4.75 117.12 109.20 2dm0 n MET 107 Ca -0.07 -1.01 -0.26 0.00 -0.27 0.00 0.00 57.70 56.10 2dm0 n MET 107 Cb 0.58 -1.48 -0.02 0.00 2.15 0.00 0.00 33.22 34.45 2dm0 n MET 107 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65 2dm0 n THR 108 N -4.94 0.79 -0.71 1.12 -1.04 -1.26 -4.84 114.28 103.41 2dm0 n THR 108 Ca 0.10 -0.20 -0.28 0.00 -2.04 0.00 0.00 64.05 61.62 2dm0 n THR 108 Cb 0.41 0.00 0.24 0.00 -1.82 0.00 0.00 70.33 69.17 2dm0 n THR 108 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dm0 s ARG 109 N -0.40 -0.91 -0.22 -2.82 1.70 -1.26 -4.99 118.95 110.06 2dm0 s ARG 109 Ca 0.36 0.61 -0.16 0.00 -0.47 0.00 0.00 55.73 56.07 2dm0 s ARG 109 Cb -0.51 -1.57 -0.04 0.00 -0.57 0.00 0.00 34.95 32.25 2dm0 s ARG 109 CO 0.29 -3.65 0.40 -0.51 -1.08 0.00 0.00 175.30 170.74 2dm0 s LEU 110 N -7.11 4.12 0.00 -1.89 1.43 -1.26 -4.69 118.68 109.28 2dm0 s LEU 110 Ca 0.68 0.45 0.00 0.00 -1.03 0.00 0.00 54.13 54.23 2dm0 s LEU 110 Cb -0.22 -2.49 0.00 0.00 0.03 0.00 0.00 46.19 43.51 2dm0 s LEU 110 CO 0.62 -0.12 0.00 -2.11 0.23 0.00 0.00 176.35 174.97 2dm0 n ARG 111 N 4.77 2.28 -3.65 1.70 1.85 -1.24 -4.74 116.66 117.63 2dm0 n ARG 111 Ca -0.08 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.40 2dm0 n ARG 111 Cb 0.51 -0.83 -0.07 0.00 -1.05 0.00 0.00 32.46 31.02 2dm0 n ARG 111 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2dm0 s TYR 112 N -1.45 3.71 -1.18 2.89 2.02 -1.18 -4.99 117.35 117.17 2dm0 s TYR 112 Ca 0.00 -2.88 -0.23 0.00 -0.37 0.00 0.00 57.07 53.60 2dm0 s TYR 112 Cb 0.00 -3.25 -0.09 0.00 -0.40 0.00 0.00 41.96 38.22 2dm0 s TYR 112 CO 0.00 -0.78 1.93 -0.35 -1.57 0.00 0.00 175.55 174.78 2dm0 n PRO 113 N 2.80 1.60 -1.53 -1.71 -0.04 -1.26 -2.86 135.00 132.00 2dm0 n PRO 113 Ca 0.16 -2.46 -0.60 0.00 -0.04 0.00 0.00 63.50 60.57 2dm0 n PRO 113 Cb 0.38 -3.72 -0.09 0.00 -0.04 0.00 0.00 33.50 30.04 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 7.76 0.00 -0.97 0.52 0.31 -1.23 -4.66 118.33 120.07 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 0.46 -0.38 0.16 0.00 -0.91 0.00 0.00 33.84 33.17 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 2.26 1.64 -0.04 2.92 0.00 -1.26 -3.85 107.32 108.98 2dm0 s GLY 115 Ca 0.92 0.17 -0.14 0.00 0.00 0.00 0.00 44.72 45.67 2dm0 s GLY 115 CO 0.70 0.65 0.59 1.41 0.00 0.00 0.00 173.10 176.45 2dm0 h LEU 116 N -1.74 -0.43 -0.72 0.66 3.38 -1.89 -3.30 115.31 111.28 2dm0 h LEU 116 Ca -0.49 0.01 0.15 0.00 0.09 0.00 0.00 57.88 57.65 2dm0 h LEU 116 Cb 1.28 0.11 -0.14 0.00 0.09 0.00 0.00 40.66 42.00 2dm0 h LEU 116 CO 0.50 -0.00 -0.16 1.15 0.09 0.00 0.00 178.44 180.02 2dm0 n MET 117 N -5.05 -0.06 -3.74 1.13 0.00 -1.26 -4.68 117.12 103.45 2dm0 n MET 117 Ca -0.06 1.12 -0.27 0.00 0.00 0.00 0.00 57.70 58.49 2dm0 n MET 117 Cb 0.20 -1.69 -0.06 0.00 0.00 0.00 0.00 33.22 31.67 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 -1.44 -0.20 3.71 3.17 0.00 -1.24 -4.79 105.19 104.39 2dm0 n GLY 118 Ca 0.12 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2dm0 n GLY 118 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm0 s SER 119 N -3.19 6.80 0.13 1.61 0.01 -1.26 -4.89 113.70 112.90 2dm0 s SER 119 Ca 0.35 2.33 0.00 0.00 1.31 0.00 0.00 55.95 59.94 2dm0 s SER 119 Cb -0.20 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.44 2dm0 s SER 119 CO 0.73 -0.68 0.00 -0.24 0.41 0.00 0.00 173.24 173.46 2dm0 n SER 120 N 4.17 0.49 0.00 2.44 2.88 -1.26 -5.14 113.62 117.20 2dm0 n SER 120 Ca 0.12 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 2dm0 n SER 120 Cb 0.42 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 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 2.80 1.43 0.07 0.46 0.00 -1.26 -5.06 105.19 103.63 2dm0 n GLY 121 Ca 0.00 0.40 -0.13 0.00 0.00 0.00 0.00 46.02 46.29 2dm0 n GLY 121 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm0 h PRO 122 N 0.00 0.07 -2.31 1.61 0.13 -2.02 -3.49 132.00 126.00 2dm0 h PRO 122 Ca 0.00 -0.04 0.27 0.00 -0.87 0.00 0.00 66.00 65.36 2dm0 h PRO 122 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 2dm0 h PRO 122 CO 0.00 0.54 0.78 -1.12 -0.23 0.00 0.00 178.00 177.96 2dm0 s SER 123 N -5.78 0.01 0.29 1.44 0.01 -1.26 -5.19 113.70 103.22 2dm0 s SER 123 Ca -0.16 -0.40 -0.01 0.00 1.31 0.00 0.00 55.95 56.69 2dm0 s SER 123 Cb 0.02 0.29 -0.02 0.00 0.21 0.00 0.00 66.02 66.53 2dm0 s SER 123 CO 0.69 -0.58 0.34 -0.55 0.41 0.00 0.00 173.24 173.56 2dm0 s SER 124 N -3.66 0.78 0.00 2.44 0.15 -1.26 -5.26 113.70 106.89 2dm0 s SER 124 Ca 0.27 -1.45 0.00 0.00 0.70 0.00 0.00 55.95 55.46 2dm0 s SER 124 Cb -0.01 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 2dm0 s SER 124 CO 0.02 -1.11 0.00 0.61 1.20 0.00 0.00 173.24 173.96