#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 1.12 0.44 1.61 0.01 -1.26 -5.15 113.70 110.47 2dm0 s SER 2 Ca 0.00 0.10 0.06 0.00 1.31 0.00 0.00 55.95 57.41 2dm0 s SER 2 Cb 0.00 -0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.19 2dm0 s SER 2 CO 0.00 -0.26 0.61 -0.44 0.41 0.00 0.00 173.24 173.57 2dm0 s SER 3 N 2.20 5.62 0.17 2.44 0.01 -1.26 -4.96 113.70 117.91 2dm0 s SER 3 Ca 0.04 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.06 2dm0 s SER 3 Cb -0.12 -0.84 0.00 0.00 0.21 0.00 0.00 66.02 65.27 2dm0 s SER 3 CO -0.04 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.41 2dm0 n GLY 4 N -1.96 -4.63 0.13 3.44 0.00 -1.26 -4.97 105.19 95.94 2dm0 n GLY 4 Ca 0.07 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 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 0.81 2.02 -4.93 1.61 7.64 -1.26 -4.95 113.62 114.57 2dm0 n SER 5 Ca 0.00 0.26 -0.27 0.00 1.01 0.00 0.00 58.87 59.87 2dm0 n SER 5 Cb 0.00 -0.86 -0.03 0.00 -1.01 0.00 0.00 64.21 62.30 2dm0 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dm0 s SER 6 N -6.97 6.31 -0.36 6.43 0.15 -1.26 -5.03 113.70 112.96 2dm0 s SER 6 Ca -0.26 0.19 0.05 0.00 0.70 0.00 0.00 55.95 56.62 2dm0 s SER 6 Cb 0.07 -1.90 0.23 0.00 -1.71 0.00 0.00 66.02 62.71 2dm0 s SER 6 CO 0.68 0.09 1.21 0.61 1.20 0.00 0.00 173.24 177.03 2dm0 n GLY 7 N -0.30 0.29 2.83 9.45 0.00 -1.26 -5.07 105.19 111.13 2dm0 n GLY 7 Ca -0.07 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.70 4.26 0.40 1.61 0.01 -1.26 -4.91 114.94 114.35 2dm0 s ASN 8 Ca 0.13 -3.54 0.04 0.00 -0.71 0.00 0.00 52.86 48.78 2dm0 s ASN 8 Cb 0.23 -1.45 -0.03 0.00 0.41 0.00 0.00 41.25 40.41 2dm0 s ASN 8 CO -0.05 -0.13 0.13 -0.54 -1.51 0.00 0.00 177.10 175.00 2dm0 s LYS 9 N -0.96 1.90 0.66 -0.60 3.01 -1.26 -5.13 119.74 117.36 2dm0 s LYS 9 Ca 0.24 -2.15 -0.17 0.00 -1.01 0.00 0.00 55.97 52.88 2dm0 s LYS 9 Cb -0.08 -0.57 -0.01 0.00 -1.01 0.00 0.00 37.83 36.16 2dm0 s LYS 9 CO -0.13 -0.47 1.20 -0.89 0.51 0.00 0.00 175.35 175.57 2dm0 n ILE 10 N -0.88 4.35 -3.56 2.17 5.41 -1.26 -4.96 119.36 120.63 2dm0 n ILE 10 Ca -0.05 -0.47 -0.40 0.00 1.00 0.00 0.00 62.75 62.83 2dm0 n ILE 10 Cb 0.65 -1.37 -0.06 0.00 -0.71 0.00 0.00 39.64 38.15 2dm0 n ILE 10 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2dm0 s THR 11 N -1.50 4.58 -0.43 1.39 -4.23 -1.26 -5.03 115.64 109.15 2dm0 s THR 11 Ca 0.80 -3.09 -0.19 0.00 -1.18 0.00 0.00 61.69 58.04 2dm0 s THR 11 Cb -0.38 -3.87 0.02 0.00 1.34 0.00 0.00 72.50 69.61 2dm0 s THR 11 CO 0.43 -0.99 0.53 0.54 -0.54 0.00 0.00 174.62 174.58 2dm0 s ASN 12 N 0.94 6.25 -0.11 3.99 4.22 -1.26 -4.87 114.94 124.10 2dm0 s ASN 12 Ca 0.21 -0.52 0.10 0.00 -2.14 0.00 0.00 52.86 50.51 2dm0 s ASN 12 Cb -0.14 -2.26 -0.14 0.00 1.28 0.00 0.00 41.25 39.99 2dm0 s ASN 12 CO -0.07 -0.66 0.04 0.18 -2.04 0.00 0.00 177.10 174.55 2dm0 n LEU 13 N 5.88 0.00 -0.33 3.54 4.77 -1.26 -4.54 117.00 125.06 2dm0 n LEU 13 Ca -0.05 0.00 0.20 0.00 -0.03 0.00 0.00 56.01 56.13 2dm0 n LEU 13 Cb 0.48 0.27 0.46 0.00 -2.33 0.00 0.00 43.42 42.29 2dm0 n LEU 13 CO 0.49 0.27 1.20 1.05 -1.33 0.00 0.00 177.39 179.08 2dm0 h GLU 14 N 0.00 0.47 -0.64 3.23 4.11 -1.89 0.41 114.58 120.27 2dm0 h GLU 14 Ca -0.30 -0.03 0.19 0.00 0.07 0.00 0.00 59.36 59.29 2dm0 h GLU 14 Cb 1.68 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.79 2dm0 h GLU 14 CO 0.02 0.31 0.47 -0.84 0.07 0.00 0.00 179.01 179.04 2dm0 h ILE 15 N 0.49 0.65 -4.40 -1.06 3.07 -1.97 -3.42 117.51 110.88 2dm0 h ILE 15 Ca 0.60 0.00 -0.45 0.00 1.55 0.00 0.00 64.86 66.56 2dm0 h ILE 15 Cb 1.34 0.67 0.15 0.00 -0.27 0.00 0.00 36.82 38.71 2dm0 h ILE 15 CO -0.34 0.00 0.33 -1.22 -1.05 0.00 0.00 178.15 175.87 2dm0 n TYR 16 N -4.30 -3.67 -0.04 0.16 4.01 0.14 -5.05 117.16 108.41 2dm0 n TYR 16 Ca 0.12 -1.38 -0.05 0.00 -0.16 0.00 0.00 57.90 56.43 2dm0 n TYR 16 Cb 0.72 -0.95 -0.05 0.00 -0.31 0.00 0.00 39.34 38.75 2dm0 n TYR 16 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 2dm0 n GLU 17 N -3.57 1.22 0.00 -0.72 0.28 -1.26 -4.52 120.64 112.07 2dm0 n GLU 17 Ca 0.17 0.03 0.06 0.00 -0.16 0.00 0.00 57.16 57.26 2dm0 n GLU 17 Cb 0.59 -1.18 0.34 0.00 1.43 0.00 0.00 31.44 32.62 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 -2.57 0.00 -3.25 -1.84 4.27 -1.26 -2.19 117.44 110.59 2dm0 n TRP 18 Ca -0.14 0.00 -0.45 0.00 -3.89 0.00 0.00 57.50 53.02 2dm0 n TRP 18 Cb 0.69 -0.15 -0.01 0.00 -1.36 0.00 0.00 31.31 30.48 2dm0 n TRP 18 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 2dm0 s TYR 19 N -2.30 3.93 -0.78 -2.67 5.04 -1.26 -1.05 117.35 118.26 2dm0 s TYR 19 Ca 0.15 -2.30 -0.26 0.00 -2.44 0.00 0.00 57.07 52.21 2dm0 s TYR 19 Cb 0.08 -3.93 0.03 0.00 0.35 0.00 0.00 41.96 38.49 2dm0 s TYR 19 CO 0.16 -1.06 1.40 -1.01 -1.34 0.00 0.00 175.55 173.70 2dm0 s HIS 20 N -0.15 2.24 0.25 4.97 3.76 -0.05 -4.81 115.29 121.49 2dm0 s HIS 20 Ca 0.28 -0.07 0.07 0.00 -0.15 0.00 0.00 55.06 55.19 2dm0 s HIS 20 Cb -0.09 -4.56 -0.03 0.00 1.11 0.00 0.00 32.58 29.01 2dm0 s HIS 20 CO -0.07 -2.07 0.23 -0.98 -0.85 0.00 0.00 174.74 170.99 2dm0 s ARG 21 N 5.80 3.01 -0.98 1.40 1.70 -1.26 -3.74 118.95 124.88 2dm0 s ARG 21 Ca 0.42 -1.01 -0.05 0.00 -0.47 0.00 0.00 55.73 54.63 2dm0 s ARG 21 Cb -0.07 -2.62 0.01 0.00 -0.57 0.00 0.00 34.95 31.70 2dm0 s ARG 21 CO 0.11 0.40 0.85 -1.71 -1.08 0.00 0.00 175.30 173.87 2dm0 n ASN 22 N -1.22 -4.24 -4.33 -2.89 5.15 -1.26 -5.03 115.26 101.44 2dm0 n ASN 22 Ca -0.08 -0.43 -0.28 0.00 -0.60 0.00 0.00 54.58 53.19 2dm0 n ASN 22 Cb 0.58 -3.93 -0.08 0.00 -0.53 0.00 0.00 39.78 35.81 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 -3.25 0.78 0.18 -1.44 -4.36 -1.26 -5.16 121.20 106.69 2dm0 s ILE 23 Ca 0.30 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.76 2dm0 s ILE 23 Cb -0.13 -2.27 -0.05 0.00 1.25 0.00 0.00 42.46 41.26 2dm0 s ILE 23 CO 0.55 0.00 -0.13 0.28 0.24 0.00 0.00 174.94 175.88 2dm0 s THR 24 N -3.08 1.54 0.33 8.37 -1.32 -1.26 -4.95 115.64 115.27 2dm0 s THR 24 Ca 0.17 -2.13 0.13 0.00 -1.21 0.00 0.00 61.69 58.65 2dm0 s THR 24 Cb 0.02 -1.95 0.35 0.00 -1.51 0.00 0.00 72.50 69.42 2dm0 s THR 24 CO 0.10 -0.62 1.48 -1.14 -2.21 0.00 0.00 174.62 172.23 2dm0 n ARG 25 N -0.25 -0.06 -0.12 7.08 3.00 -1.26 0.14 116.66 125.19 2dm0 n ARG 25 Ca -0.09 1.34 -0.09 0.00 -0.00 0.00 0.00 57.85 59.01 2dm0 n ARG 25 Cb 0.60 -2.29 -0.01 0.00 0.00 0.00 0.00 32.46 30.76 2dm0 n ARG 25 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 2dm0 h ASN 26 N 0.00 0.45 0.45 6.15 -1.24 -1.99 -2.64 115.58 116.76 2dm0 h ASN 26 Ca 0.71 -0.05 -0.02 0.00 0.71 0.00 0.00 56.30 57.65 2dm0 h ASN 26 Cb 1.75 -0.11 -0.00 0.00 0.73 0.00 0.00 38.32 40.68 2dm0 h ASN 26 CO -0.78 0.37 -0.26 1.56 -1.29 0.00 0.00 177.43 177.03 2dm0 h GLN 27 N 0.49 -0.64 -0.41 6.67 1.08 0.84 0.48 115.11 123.61 2dm0 h GLN 27 Ca 0.13 0.04 0.05 0.00 -1.45 0.00 0.00 58.65 57.42 2dm0 h GLN 27 Cb 0.00 0.15 -0.07 0.00 -0.05 0.00 0.00 27.48 27.51 2dm0 h GLN 27 CO -0.03 -0.43 -0.48 0.00 -0.95 0.00 0.00 178.83 176.95 2dm0 h ALA 28 N -0.14 -0.68 0.73 3.87 0.00 -1.24 0.21 119.26 121.99 2dm0 h ALA 28 Ca -0.05 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2dm0 h ALA 28 Cb 0.54 1.10 0.01 0.00 0.00 0.00 0.00 17.79 19.43 2dm0 h ALA 28 CO 0.07 -0.93 -0.35 0.93 0.00 0.00 0.00 179.25 178.97 2dm0 h GLU 29 N -0.30 -0.94 -0.97 0.00 5.08 -1.44 -3.08 114.58 112.93 2dm0 h GLU 29 Ca 0.07 0.06 0.11 0.00 -1.00 0.00 0.00 59.36 58.60 2dm0 h GLU 29 Cb 0.49 0.21 -0.13 0.00 0.50 0.00 0.00 28.75 29.82 2dm0 h GLU 29 CO -0.54 -0.60 -0.51 1.58 -1.00 0.00 0.00 179.01 177.93 2dm0 n HIS 30 N -5.46 -0.29 -0.25 4.33 -0.00 0.17 -0.31 115.22 113.41 2dm0 n HIS 30 Ca -0.13 1.21 -0.04 0.00 0.46 0.00 0.00 57.72 59.21 2dm0 n HIS 30 Cb 0.40 -0.66 0.01 0.00 -0.12 0.00 0.00 29.99 29.62 2dm0 n HIS 30 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 2dm0 h LEU 31 N 0.00 -1.26 0.03 0.27 3.38 -0.60 -0.55 115.31 116.58 2dm0 h LEU 31 Ca 0.21 0.25 -0.00 0.00 0.09 0.00 0.00 57.88 58.43 2dm0 h LEU 31 Cb 0.45 0.63 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2dm0 h LEU 31 CO -0.93 -0.30 -0.01 -0.07 0.09 0.00 0.00 178.44 177.22 2dm0 h LEU 32 N -0.13 -0.03 -0.96 1.67 3.38 -0.58 -2.72 115.31 115.94 2dm0 h LEU 32 Ca 0.26 -0.02 0.29 0.00 0.09 0.00 0.00 57.88 58.49 2dm0 h LEU 32 Cb 0.56 0.01 -0.17 0.00 0.09 0.00 0.00 40.66 41.15 2dm0 h LEU 32 CO -0.76 -0.00 0.19 0.03 0.09 0.00 0.00 178.44 177.99 2dm0 h ARG 33 N -0.05 0.06 -0.41 1.13 2.47 0.91 0.59 114.38 119.08 2dm0 h ARG 33 Ca -0.00 -0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.73 2dm0 h ARG 33 Cb 0.05 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.33 2dm0 h ARG 33 CO 0.01 0.04 0.25 1.96 0.56 0.00 0.00 179.97 182.79 2dm0 h GLN 34 N 0.07 0.49 -0.91 0.04 4.20 -1.04 -2.48 115.11 115.48 2dm0 h GLN 34 Ca 0.63 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 59.32 2dm0 h GLN 34 Cb 1.39 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 29.01 2dm0 h GLN 34 CO -0.81 0.33 0.60 0.93 -0.67 0.00 0.00 178.83 179.20 2dm0 h GLU 35 N 0.51 1.21 -6.81 1.46 3.07 0.18 -3.46 114.58 110.73 2dm0 h GLU 35 Ca 0.16 -0.08 -0.56 0.00 -0.50 0.00 0.00 59.36 58.38 2dm0 h GLU 35 Cb -0.01 -0.27 -0.20 0.00 -0.84 0.00 0.00 28.75 27.44 2dm0 h GLU 35 CO -0.07 0.80 -0.88 0.43 -1.40 0.00 0.00 179.01 177.90 2dm0 n SER 36 N -4.44 -1.60 -3.74 1.42 7.64 -0.47 -4.93 113.62 107.49 2dm0 n SER 36 Ca 0.10 -1.09 -0.13 0.00 1.01 0.00 0.00 58.87 58.76 2dm0 n SER 36 Cb 0.02 -2.47 -0.09 0.00 -1.01 0.00 0.00 64.21 60.66 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 -6.96 0.60 0.33 1.43 -2.85 -1.26 -5.09 119.74 105.95 2dm0 s LYS 37 Ca 0.44 0.11 -0.29 0.00 -1.00 0.00 0.00 55.97 55.23 2dm0 s LYS 37 Cb -0.25 0.28 -0.10 0.00 -2.06 0.00 0.00 37.83 35.70 2dm0 s LYS 37 CO 0.95 -0.14 1.37 -1.21 0.10 0.00 0.00 175.35 176.41 2dm0 s GLU 38 N -0.74 4.29 0.00 1.78 2.02 -1.26 -3.43 118.70 121.36 2dm0 s GLU 38 Ca -0.08 2.31 0.00 0.00 0.02 0.00 0.00 54.97 57.22 2dm0 s GLU 38 Cb -0.04 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 31.14 2dm0 s GLU 38 CO 0.03 -0.30 0.00 0.41 0.02 0.00 0.00 175.26 175.42 2dm0 n GLY 39 N 0.89 3.20 3.72 -1.39 0.00 -1.23 -4.74 105.19 105.64 2dm0 n GLY 39 Ca 0.01 -1.02 -0.64 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.83 -2.44 4.61 0.00 -1.22 -3.71 120.51 116.92 2dm0 n ALA 40 Ca 0.00 0.44 -0.08 0.00 0.00 0.00 0.00 53.44 53.80 2dm0 n ALA 40 Cb 0.00 -2.05 -0.08 0.00 0.00 0.00 0.00 19.45 17.32 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 3.36 0.25 0.21 0.00 -0.71 -1.07 -0.82 117.98 119.21 2dm0 s PHE 41 Ca 1.03 -0.71 -0.19 0.00 -1.04 0.00 0.00 56.93 56.02 2dm0 s PHE 41 Cb -1.33 -0.15 0.03 0.00 -1.21 0.00 0.00 43.02 40.36 2dm0 s PHE 41 CO 0.75 -0.49 0.58 0.96 -1.34 0.00 0.00 175.22 175.68 2dm0 s ILE 42 N -3.79 0.01 -0.21 -4.49 -4.36 -1.05 -2.90 121.20 104.41 2dm0 s ILE 42 Ca 0.05 -0.68 0.01 0.00 -0.26 0.00 0.00 60.65 59.77 2dm0 s ILE 42 Cb 0.05 -1.57 0.05 0.00 1.25 0.00 0.00 42.46 42.24 2dm0 s ILE 42 CO -0.10 -0.06 -0.11 -0.69 0.24 0.00 0.00 174.94 174.22 2dm0 s VAL 43 N -3.86 1.78 0.25 8.37 1.01 -0.21 -1.65 120.40 126.09 2dm0 s VAL 43 Ca 0.08 -1.16 0.08 0.00 0.00 0.00 0.00 61.98 60.98 2dm0 s VAL 43 Cb -0.02 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 2dm0 s VAL 43 CO -0.02 0.12 0.10 0.00 0.00 0.00 0.00 175.10 175.30 2dm0 s ARG 44 N 1.32 2.64 0.06 2.72 1.70 -0.81 -0.87 118.95 125.72 2dm0 s ARG 44 Ca -0.03 -1.20 -0.20 0.00 -0.47 0.00 0.00 55.73 53.84 2dm0 s ARG 44 Cb -0.17 -2.39 -0.06 0.00 -0.57 0.00 0.00 34.95 31.75 2dm0 s ARG 44 CO -0.08 0.39 0.58 -0.51 -1.08 0.00 0.00 175.30 174.61 2dm0 s ASP 45 N -3.70 7.06 0.16 -2.89 1.11 -1.26 -1.99 116.67 115.16 2dm0 s ASP 45 Ca 0.32 1.26 -0.30 0.00 0.18 0.00 0.00 52.55 54.01 2dm0 s ASP 45 Cb -0.07 -2.37 -0.07 0.00 1.07 0.00 0.00 42.92 41.48 2dm0 s ASP 45 CO 0.23 0.24 1.14 -0.44 1.18 0.00 0.00 175.17 177.52 2dm0 s SER 46 N -0.92 7.18 -0.01 0.27 0.01 0.11 -4.91 113.70 115.43 2dm0 s SER 46 Ca 0.30 2.12 -0.19 0.00 1.31 0.00 0.00 55.95 59.49 2dm0 s SER 46 Cb -0.19 -2.60 -0.31 0.00 0.21 0.00 0.00 66.02 63.12 2dm0 s SER 46 CO 0.19 -0.31 0.97 -0.09 0.41 0.00 0.00 173.24 174.42 2dm0 h ARG 47 N 5.39 0.42 -0.81 12.44 2.43 -1.96 -3.30 114.38 128.98 2dm0 h ARG 47 Ca -0.44 -0.65 0.11 0.00 -0.81 0.00 0.00 59.98 58.18 2dm0 h ARG 47 Cb 1.21 0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 30.94 2dm0 h ARG 47 CO 0.74 1.30 0.53 1.12 -1.51 0.00 0.00 179.97 182.15 2dm0 h HIS 48 N -0.12 0.79 -3.14 2.20 2.07 -1.99 -3.45 115.15 111.51 2dm0 h HIS 48 Ca -0.17 0.02 -0.03 0.00 -2.85 0.00 0.00 60.37 57.34 2dm0 h HIS 48 Cb 1.77 -0.25 -0.02 0.00 2.57 0.00 0.00 27.41 31.48 2dm0 h HIS 48 CO 0.16 0.35 0.20 -1.17 -3.07 0.00 0.00 177.93 174.41 2dm0 s LEU 49 N -9.74 0.07 0.00 6.12 2.96 -1.24 -5.03 118.68 111.82 2dm0 s LEU 49 Ca -0.10 -1.08 -0.03 0.00 -0.22 0.00 0.00 54.13 52.70 2dm0 s LEU 49 Cb 0.21 2.65 -0.14 0.00 0.50 0.00 0.00 46.19 49.41 2dm0 s LEU 49 CO 0.78 -1.57 2.37 0.61 -1.32 0.00 0.00 176.35 177.22 2dm0 n GLY 50 N -0.52 2.29 3.13 7.98 0.00 -1.26 -3.94 105.19 112.88 2dm0 n GLY 50 Ca -0.06 -0.62 -0.16 0.00 0.00 0.00 0.00 46.02 45.19 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 2.34 1.67 -4.08 1.61 2.88 -1.26 -4.91 113.62 111.87 2dm0 n SER 51 Ca 0.22 -2.22 -0.16 0.00 -1.33 0.00 0.00 58.87 55.37 2dm0 n SER 51 Cb 0.57 -0.35 -0.13 0.00 -0.75 0.00 0.00 64.21 63.56 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 -1.90 0.88 -0.06 0.66 2.02 -1.26 -0.72 117.35 116.98 2dm0 s TYR 52 Ca 0.49 -0.38 -0.02 0.00 -0.37 0.00 0.00 57.07 56.78 2dm0 s TYR 52 Cb -0.04 -0.52 0.04 0.00 -0.40 0.00 0.00 41.96 41.04 2dm0 s TYR 52 CO 0.31 -0.02 0.12 0.99 -1.57 0.00 0.00 175.55 175.38 2dm0 s THR 53 N -1.00 -0.08 0.13 -0.71 2.01 -0.84 0.73 115.64 115.87 2dm0 s THR 53 Ca -0.03 0.23 -0.09 0.00 0.31 0.00 0.00 61.69 62.10 2dm0 s THR 53 Cb -0.08 -0.21 -0.06 0.00 0.01 0.00 0.00 72.50 72.16 2dm0 s THR 53 CO 0.01 0.09 0.44 -0.63 -0.69 0.00 0.00 174.62 173.85 2dm0 s ILE 54 N 1.36 5.04 -0.25 1.82 1.01 0.15 -1.91 121.20 128.42 2dm0 s ILE 54 Ca -0.07 0.42 -0.00 0.00 0.00 0.00 0.00 60.65 61.00 2dm0 s ILE 54 Cb -0.12 -3.65 0.07 0.00 0.01 0.00 0.00 42.46 38.77 2dm0 s ILE 54 CO -0.05 0.16 0.02 -0.44 0.00 0.00 0.00 174.94 174.63 2dm0 s SER 55 N -2.00 3.69 0.20 3.58 0.01 -0.66 -0.39 113.70 118.14 2dm0 s SER 55 Ca 0.38 -1.26 0.05 0.00 1.31 0.00 0.00 55.95 56.44 2dm0 s SER 55 Cb -0.13 -0.97 -0.04 0.00 0.21 0.00 0.00 66.02 65.10 2dm0 s SER 55 CO 0.20 -0.31 0.21 -0.69 0.41 0.00 0.00 173.24 173.06 2dm0 s VAL 56 N 1.55 4.72 -0.42 3.43 1.01 -1.20 -2.54 120.40 126.95 2dm0 s VAL 56 Ca 0.00 -1.11 -0.12 0.00 0.00 0.00 0.00 61.98 60.75 2dm0 s VAL 56 Cb -0.18 -3.48 0.05 0.00 0.00 0.00 0.00 36.38 32.77 2dm0 s VAL 56 CO -0.11 -0.22 0.28 0.12 0.00 0.00 0.00 175.10 175.17 2dm0 s PHE 57 N -1.91 3.27 -0.06 5.22 5.36 -0.00 -1.57 117.98 128.28 2dm0 s PHE 57 Ca 0.33 -1.03 -0.16 0.00 -0.96 0.00 0.00 56.93 55.10 2dm0 s PHE 57 Cb -0.09 -2.77 -0.12 0.00 -0.34 0.00 0.00 43.02 39.70 2dm0 s PHE 57 CO 0.26 -0.73 0.64 0.52 -1.46 0.00 0.00 175.22 174.45 2dm0 h MET 58 N 8.54 -0.23 -0.47 10.12 2.86 -0.14 -3.28 114.93 132.34 2dm0 h MET 58 Ca -0.26 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 2dm0 h MET 58 Cb 1.10 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.81 2dm0 h MET 58 CO 0.75 0.11 0.00 0.41 1.06 0.00 0.00 176.91 179.25 2dm0 n GLY 59 N 0.86 -0.09 3.70 8.32 0.00 -0.98 -4.59 105.19 112.41 2dm0 n GLY 59 Ca -0.06 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 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 1.69 -0.12 4.61 0.00 -1.26 -4.70 121.76 121.98 2dm0 s ALA 60 Ca 0.00 0.38 -0.20 0.00 0.00 0.00 0.00 51.96 52.14 2dm0 s ALA 60 Cb 0.00 -3.35 -0.18 0.00 0.00 0.00 0.00 23.12 19.59 2dm0 s ALA 60 CO 0.00 -2.40 0.59 0.00 0.00 0.00 0.00 175.76 173.95 2dm0 h ARG 61 N -1.60 -0.02 -6.54 0.00 2.47 -1.97 -3.46 114.38 103.26 2dm0 h ARG 61 Ca -0.45 0.00 -0.46 0.00 -1.26 0.00 0.00 59.98 57.81 2dm0 h ARG 61 Cb 1.26 0.00 0.24 0.00 -1.65 0.00 0.00 29.97 29.82 2dm0 h ARG 61 CO 0.47 0.65 -1.42 0.54 0.56 0.00 0.00 179.97 180.77 2dm0 n ARG 62 N -4.69 -1.27 -3.30 0.04 1.74 -1.26 -4.95 116.66 102.97 2dm0 n ARG 62 Ca -0.07 -0.36 -0.35 0.00 -0.77 0.00 0.00 57.85 56.31 2dm0 n ARG 62 Cb 0.33 -1.56 -0.06 0.00 -1.02 0.00 0.00 32.46 30.15 2dm0 n ARG 62 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2dm0 s SER 63 N -1.67 6.82 -1.07 0.55 0.15 -1.26 -4.12 113.70 113.11 2dm0 s SER 63 Ca 0.52 1.13 -0.06 0.00 0.70 0.00 0.00 55.95 58.24 2dm0 s SER 63 Cb -0.07 -2.31 0.01 0.00 -1.71 0.00 0.00 66.02 61.94 2dm0 s SER 63 CO 0.66 0.03 0.76 0.41 1.20 0.00 0.00 173.24 176.30 2dm0 n THR 64 N 0.50 -2.03 -4.21 6.45 -1.04 -1.26 -5.02 114.28 107.67 2dm0 n THR 64 Ca -0.03 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.86 2dm0 n THR 64 Cb 0.52 -3.23 -0.10 0.00 -1.82 0.00 0.00 70.33 65.70 2dm0 n THR 64 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2dm0 s GLU 65 N -5.81 1.02 -0.10 -2.82 0.41 -1.26 -5.16 118.70 104.98 2dm0 s GLU 65 Ca 0.38 -1.48 -0.14 0.00 -0.41 0.00 0.00 54.97 53.32 2dm0 s GLU 65 Cb -0.17 -0.19 0.03 0.00 -1.78 0.00 0.00 34.13 32.03 2dm0 s GLU 65 CO 0.47 -0.12 0.37 0.00 -0.49 0.00 0.00 175.26 175.49 2dm0 s ALA 66 N -3.70 -0.92 -0.09 5.21 0.00 -1.26 -4.32 121.76 116.68 2dm0 s ALA 66 Ca 0.21 0.85 0.04 0.00 0.00 0.00 0.00 51.96 53.06 2dm0 s ALA 66 Cb 0.06 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.80 2dm0 s ALA 66 CO 0.02 -0.21 -0.21 0.00 0.00 0.00 0.00 175.76 175.36 2dm0 s ALA 67 N -0.31 1.94 -0.05 0.00 0.00 -1.26 -4.57 121.76 117.50 2dm0 s ALA 67 Ca -0.05 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.10 2dm0 s ALA 67 Cb -0.03 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.37 2dm0 s ALA 67 CO 0.02 0.25 -0.05 0.42 0.00 0.00 0.00 175.76 176.40 2dm0 s ILE 68 N 0.40 0.58 0.41 0.00 1.01 -1.26 0.63 121.20 122.98 2dm0 s ILE 68 Ca -0.17 -0.15 0.08 0.00 0.00 0.00 0.00 60.65 60.40 2dm0 s ILE 68 Cb -0.17 -0.60 0.00 0.00 0.01 0.00 0.00 42.46 41.70 2dm0 s ILE 68 CO 0.07 0.23 0.52 -0.54 0.00 0.00 0.00 174.94 175.23 2dm0 s LYS 69 N 0.88 2.79 -0.23 2.79 3.01 -0.61 -4.95 119.74 123.42 2dm0 s LYS 69 Ca -0.12 -1.28 -0.04 0.00 -1.01 0.00 0.00 55.97 53.52 2dm0 s LYS 69 Cb -0.14 -2.68 0.08 0.00 -1.01 0.00 0.00 37.83 34.08 2dm0 s LYS 69 CO 0.00 -0.23 0.13 -1.01 0.51 0.00 0.00 175.35 174.76 2dm0 s HIS 70 N -2.36 0.15 -0.31 3.18 3.76 -1.26 -3.26 115.29 115.18 2dm0 s HIS 70 Ca 0.53 -0.46 -0.13 0.00 -0.15 0.00 0.00 55.06 54.84 2dm0 s HIS 70 Cb -0.09 -0.72 -0.03 0.00 1.11 0.00 0.00 32.58 32.85 2dm0 s HIS 70 CO 0.32 -0.67 0.27 0.71 -0.85 0.00 0.00 174.74 174.51 2dm0 s TYR 71 N 2.16 3.22 -0.42 1.40 2.02 0.47 -4.92 117.35 121.29 2dm0 s TYR 71 Ca 0.06 0.02 -0.24 0.00 -0.37 0.00 0.00 57.07 56.54 2dm0 s TYR 71 Cb -0.16 -2.50 0.02 0.00 -0.40 0.00 0.00 41.96 38.93 2dm0 s TYR 71 CO -0.22 -0.29 0.81 -1.14 -1.57 0.00 0.00 175.55 173.14 2dm0 s GLN 72 N 1.84 3.56 -0.44 -0.62 0.74 -1.26 0.32 119.66 123.80 2dm0 s GLN 72 Ca 0.09 0.11 -0.28 0.00 0.05 0.00 0.00 55.36 55.33 2dm0 s GLN 72 Cb -0.17 -3.89 -0.02 0.00 1.10 0.00 0.00 33.01 30.04 2dm0 s GLN 72 CO 0.11 -1.03 1.82 0.42 -0.55 0.00 0.00 175.29 176.06 2dm0 s ILE 73 N 3.30 3.44 0.54 -2.34 1.01 0.22 -4.84 121.20 122.53 2dm0 s ILE 73 Ca 0.32 0.38 0.06 0.00 0.00 0.00 0.00 60.65 61.42 2dm0 s ILE 73 Cb -0.12 -3.76 0.06 0.00 0.01 0.00 0.00 42.46 38.65 2dm0 s ILE 73 CO 0.21 -0.60 0.74 -0.54 0.00 0.00 0.00 174.94 174.75 2dm0 s LYS 74 N 6.23 2.44 -0.06 2.79 1.02 -1.00 -4.16 119.74 127.01 2dm0 s LYS 74 Ca 0.75 -1.30 0.03 0.00 0.02 0.00 0.00 55.97 55.47 2dm0 s LYS 74 Cb -0.18 -2.62 0.01 0.00 -0.52 0.00 0.00 37.83 34.52 2dm0 s LYS 74 CO 0.28 -0.71 -0.13 0.21 -0.92 0.00 0.00 175.35 174.08 2dm0 s LYS 75 N -4.63 1.69 1.04 1.68 2.20 -1.26 -1.92 119.74 118.54 2dm0 s LYS 75 Ca 0.59 -0.45 -0.17 0.00 -0.36 0.00 0.00 55.97 55.58 2dm0 s LYS 75 Cb -0.08 -1.41 0.24 0.00 -1.51 0.00 0.00 37.83 35.07 2dm0 s LYS 75 CO 0.38 0.08 1.29 0.54 -0.36 0.00 0.00 175.35 177.28 2dm0 s ASN 76 N 0.49 2.41 0.43 1.43 2.20 -0.99 -4.84 114.94 116.07 2dm0 s ASN 76 Ca -0.12 0.27 0.11 0.00 -0.94 0.00 0.00 52.86 52.18 2dm0 s ASN 76 Cb -0.14 -0.29 0.97 0.00 -2.00 0.00 0.00 41.25 39.79 2dm0 s ASN 76 CO 0.03 -3.17 2.04 0.44 -2.94 0.00 0.00 177.10 173.50 2dm0 h ASP 77 N -1.94 0.38 0.77 3.54 3.32 -2.01 0.13 116.42 120.61 2dm0 h ASP 77 Ca -0.44 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2dm0 h ASP 77 Cb 1.23 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.70 2dm0 h ASP 77 CO 0.33 0.26 0.00 -1.20 -1.72 0.00 0.00 179.24 176.91 2dm0 n SER 78 N -4.48 0.30 -0.24 6.45 7.64 -1.26 -4.88 113.62 117.15 2dm0 n SER 78 Ca 0.05 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.49 2dm0 n SER 78 Cb 0.19 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 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 0.40 0.77 3.66 0.23 0.00 0.47 -5.06 105.19 105.65 2dm0 n GLY 79 Ca 0.04 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 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 -4.09 2.95 -0.16 1.61 -0.21 -1.26 -4.86 119.66 113.64 2dm0 s GLN 80 Ca 0.00 -0.44 -0.29 0.00 0.02 0.00 0.00 55.36 54.65 2dm0 s GLN 80 Cb 0.00 -2.76 -0.00 0.00 1.00 0.00 0.00 33.01 31.25 2dm0 s GLN 80 CO 0.00 0.69 1.03 -1.58 -2.12 0.00 0.00 175.29 173.30 2dm0 s TRP 81 N -0.85 3.43 -0.00 0.91 0.52 -0.91 -2.35 118.94 119.69 2dm0 s TRP 81 Ca 0.13 1.53 -0.07 0.00 0.02 0.00 0.00 56.10 57.71 2dm0 s TRP 81 Cb -0.11 -3.23 0.00 0.00 -1.15 0.00 0.00 33.47 28.98 2dm0 s TRP 81 CO 0.02 -0.36 0.13 1.52 0.02 0.00 0.00 176.95 178.28 2dm0 s TYR 82 N 2.51 0.02 -0.01 -1.98 -0.85 -0.81 -1.36 117.35 114.89 2dm0 s TYR 82 Ca 0.47 -0.08 -0.01 0.00 -0.52 0.00 0.00 57.07 56.93 2dm0 s TYR 82 Cb -0.17 -0.04 -0.01 0.00 0.38 0.00 0.00 41.96 42.12 2dm0 s TYR 82 CO 0.13 -0.25 -0.03 0.28 -1.52 0.00 0.00 175.55 174.16 2dm0 n VAL 83 N 1.69 0.30 0.68 -3.49 0.31 -1.26 -2.37 118.33 114.19 2dm0 n VAL 83 Ca -0.21 0.03 -0.01 0.00 -0.01 0.00 0.00 64.34 64.14 2dm0 n VAL 83 Cb 0.56 -1.55 0.05 0.00 -0.91 0.00 0.00 33.84 31.99 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 -3.18 2.81 -2.30 3.52 0.00 -1.26 -4.83 120.51 115.27 2dm0 n ALA 84 Ca -0.04 -0.36 -0.08 0.00 0.00 0.00 0.00 53.44 52.96 2dm0 n ALA 84 Cb 0.46 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.86 2dm0 n ALA 84 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2dm0 n GLU 85 N 0.15 -1.88 0.00 0.00 -0.00 -1.26 -4.43 120.64 113.22 2dm0 n GLU 85 Ca 0.06 0.03 0.00 0.00 -0.00 0.00 0.00 57.16 57.25 2dm0 n GLU 85 Cb 0.50 -2.99 0.00 0.00 -0.00 0.00 0.00 31.44 28.95 2dm0 n GLU 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2dm0 n ARG 86 N -1.98 2.21 -3.80 3.44 5.12 -1.26 -5.02 116.66 115.37 2dm0 n ARG 86 Ca 0.02 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.66 2dm0 n ARG 86 Cb 0.32 -0.65 -0.16 0.00 -1.16 0.00 0.00 32.46 30.81 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 -1.06 1.55 -0.08 -1.55 3.76 -1.26 -5.13 115.29 111.52 2dm0 s HIS 87 Ca 0.00 -1.27 -0.08 0.00 -0.15 0.00 0.00 55.06 53.56 2dm0 s HIS 87 Cb 0.00 -1.31 -0.04 0.00 1.11 0.00 0.00 32.58 32.34 2dm0 s HIS 87 CO 0.00 -0.70 0.20 0.00 -0.85 0.00 0.00 174.74 173.39 2dm0 s ALA 88 N 1.68 3.85 0.46 -1.40 0.00 -1.26 -4.41 121.76 120.67 2dm0 s ALA 88 Ca -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.40 2dm0 s ALA 88 Cb -0.18 -2.05 -0.00 0.00 0.00 0.00 0.00 23.12 20.89 2dm0 s ALA 88 CO -0.10 0.60 0.02 1.19 0.00 0.00 0.00 175.76 177.47 2dm0 n PHE 89 N 1.85 0.96 -0.04 0.00 3.01 -0.46 -4.93 117.46 117.85 2dm0 n PHE 89 Ca -0.18 -2.33 0.01 0.00 1.01 0.00 0.00 57.45 55.96 2dm0 n PHE 89 Cb 0.54 -0.27 -0.11 0.00 -0.01 0.00 0.00 39.48 39.63 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 -1.13 1.08 -4.20 -1.08 6.02 -1.26 -2.15 117.38 114.67 2dm0 n GLN 90 Ca -0.18 -0.07 -0.19 0.00 -0.01 0.00 0.00 57.00 56.55 2dm0 n GLN 90 Cb 0.59 -1.35 -0.12 0.00 1.02 0.00 0.00 30.24 30.38 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 -4.18 1.67 0.13 1.08 0.01 -1.26 -4.80 113.70 106.35 2dm0 s SER 91 Ca -0.06 -0.59 -0.19 0.00 1.31 0.00 0.00 55.95 56.42 2dm0 s SER 91 Cb 0.07 -0.06 -0.05 0.00 0.21 0.00 0.00 66.02 66.19 2dm0 s SER 91 CO 0.59 -0.06 1.77 0.40 0.41 0.00 0.00 173.24 176.35 2dm0 h ILE 92 N 4.33 1.02 0.00 1.44 1.08 -1.95 -1.34 117.51 122.09 2dm0 h ILE 92 Ca -0.40 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 63.98 2dm0 h ILE 92 Cb 1.19 0.73 0.00 0.00 -3.07 0.00 0.00 36.82 35.67 2dm0 h ILE 92 CO 0.41 0.05 0.00 -0.81 -0.69 0.00 0.00 178.15 177.10 2dm0 n PRO 93 N -4.97 0.49 -0.12 2.37 -0.04 -1.26 -2.67 135.00 128.79 2dm0 n PRO 93 Ca -0.02 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.25 2dm0 n PRO 93 Cb 0.05 -1.43 -0.12 0.00 -0.04 0.00 0.00 33.50 31.96 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 -0.93 0.65 -0.11 0.54 -0.58 -0.53 -3.59 120.64 116.09 2dm0 n GLU 94 Ca 0.10 0.16 0.08 0.00 -0.42 0.00 0.00 57.16 57.07 2dm0 n GLU 94 Cb 0.05 -1.53 0.42 0.00 -0.57 0.00 0.00 31.44 29.81 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 0.52 0.00 -4.62 6.46 -1.26 -0.68 115.31 115.72 2dm0 h LEU 95 Ca -0.58 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.19 2dm0 h LEU 95 Cb 1.90 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.72 2dm0 h LEU 95 CO -0.09 0.34 -0.68 0.40 -0.62 0.00 0.00 178.44 177.79 2dm0 h ILE 96 N 0.60 0.00 -0.93 4.05 1.08 -1.76 -3.17 117.51 117.37 2dm0 h ILE 96 Ca 0.27 -0.99 0.13 0.00 -0.39 0.00 0.00 64.86 63.88 2dm0 h ILE 96 Cb 0.29 1.64 -0.09 0.00 -3.07 0.00 0.00 36.82 35.59 2dm0 h ILE 96 CO -0.08 0.00 0.55 -0.25 -0.69 0.00 0.00 178.15 177.68 2dm0 h TRP 97 N 0.00 0.99 0.07 1.37 -0.00 -1.17 -2.13 115.95 115.08 2dm0 h TRP 97 Ca 0.00 0.03 -0.31 0.00 -0.00 0.00 0.00 58.89 58.61 2dm0 h TRP 97 Cb 0.99 -0.30 -0.03 0.00 -0.00 0.00 0.00 29.16 29.82 2dm0 h TRP 97 CO 0.00 0.35 -1.69 0.98 -0.00 0.00 0.00 178.44 178.08 2dm0 n TYR 98 N -4.71 1.12 -0.41 2.65 9.36 -1.22 -4.11 117.16 119.84 2dm0 n TYR 98 Ca 0.18 0.34 0.33 0.00 3.32 0.00 0.00 57.90 62.06 2dm0 n TYR 98 Cb 0.37 -1.13 0.61 0.00 -0.63 0.00 0.00 39.34 38.56 2dm0 n TYR 98 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 2dm0 h HIS 99 N -0.42 0.60 0.12 2.98 2.76 -1.49 0.37 115.15 120.07 2dm0 h HIS 99 Ca -0.40 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 57.79 2dm0 h HIS 99 Cb 1.71 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 30.52 2dm0 h HIS 99 CO 0.08 -0.18 -0.06 1.96 -1.30 0.00 0.00 177.93 178.44 2dm0 h GLN 100 N 0.15 -0.15 -0.76 5.26 4.20 -1.55 -3.17 115.11 119.09 2dm0 h GLN 100 Ca 0.78 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 59.45 2dm0 h GLN 100 Cb 2.29 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 30.07 2dm0 h GLN 100 CO -0.44 0.15 0.30 1.25 -0.67 0.00 0.00 178.83 179.42 2dm0 h HIS 101 N -0.46 1.16 -3.94 2.96 2.76 -0.61 -3.42 115.15 113.60 2dm0 h HIS 101 Ca -0.02 -0.09 -0.33 0.00 -2.20 0.00 0.00 60.37 57.74 2dm0 h HIS 101 Cb 0.37 -0.35 -0.27 0.00 1.55 0.00 0.00 27.41 28.72 2dm0 h HIS 101 CO 0.02 0.88 -0.76 -0.80 -1.30 0.00 0.00 177.93 175.98 2dm0 s ASN 102 N -6.31 0.75 -0.68 3.26 0.01 0.69 -5.09 114.94 107.57 2dm0 s ASN 102 Ca -0.12 -0.19 -0.26 0.00 -0.71 0.00 0.00 52.86 51.57 2dm0 s ASN 102 Cb 0.15 -0.06 -0.03 0.00 0.41 0.00 0.00 41.25 41.72 2dm0 s ASN 102 CO 0.83 0.02 1.90 0.00 -1.51 0.00 0.00 177.10 178.35 2dm0 s ALA 103 N -0.38 2.01 -0.17 0.60 0.00 -1.24 -3.77 121.76 118.81 2dm0 s ALA 103 Ca 0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 51.07 2dm0 s ALA 103 Cb -0.04 -4.37 -0.23 0.00 0.00 0.00 0.00 23.12 18.48 2dm0 s ALA 103 CO -0.00 -4.16 0.16 0.00 0.00 0.00 0.00 175.76 171.75 2dm0 n ALA 104 N 13.20 1.07 -0.75 0.00 0.00 -1.26 -4.69 120.51 128.09 2dm0 n ALA 104 Ca 0.26 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2dm0 n ALA 104 Cb 0.51 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.48 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 2.08 -2.13 3.27 0.00 0.00 -1.26 -4.82 105.19 102.33 2dm0 n GLY 105 Ca -0.37 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.49 2dm0 n GLY 105 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dm0 s LEU 106 N -1.76 1.49 0.34 0.99 2.96 -1.26 -4.85 118.68 116.58 2dm0 s LEU 106 Ca 0.00 -1.55 0.28 0.00 -0.22 0.00 0.00 54.13 52.64 2dm0 s LEU 106 Cb 0.00 0.37 1.11 0.00 0.50 0.00 0.00 46.19 48.17 2dm0 s LEU 106 CO 0.00 -0.92 1.09 1.15 -1.32 0.00 0.00 176.35 176.35 2dm0 n MET 107 N -0.47 -0.02 -2.70 1.98 0.00 -1.26 -4.10 117.12 110.55 2dm0 n MET 107 Ca 0.03 0.83 -0.42 0.00 0.00 0.00 0.00 57.70 58.14 2dm0 n MET 107 Cb 0.65 -1.73 -0.03 0.00 0.00 0.00 0.00 33.22 32.10 2dm0 n MET 107 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 2dm0 s THR 108 N -4.57 4.72 -0.19 3.17 2.01 -1.26 -4.96 115.64 114.56 2dm0 s THR 108 Ca -0.04 2.04 -0.04 0.00 0.31 0.00 0.00 61.69 63.95 2dm0 s THR 108 Cb 0.20 -4.30 -0.02 0.00 0.01 0.00 0.00 72.50 68.39 2dm0 s THR 108 CO 0.59 0.21 -0.04 -0.60 -0.69 0.00 0.00 174.62 174.09 2dm0 s ARG 109 N 0.70 3.52 -0.69 4.92 3.52 -1.26 -4.71 118.95 124.95 2dm0 s ARG 109 Ca 0.51 -0.58 -0.29 0.00 -0.13 0.00 0.00 55.73 55.24 2dm0 s ARG 109 Cb -0.22 -2.98 -0.14 0.00 -1.56 0.00 0.00 34.95 30.05 2dm0 s ARG 109 CO 0.29 0.00 2.51 1.28 -0.81 0.00 0.00 175.30 178.57 2dm0 n LEU 110 N 4.23 1.43 -0.02 -0.88 4.77 -1.26 -4.66 117.00 120.62 2dm0 n LEU 110 Ca -0.18 -0.11 -0.02 0.00 -0.03 0.00 0.00 56.01 55.68 2dm0 n LEU 110 Cb 0.52 -1.26 -0.03 0.00 -2.33 0.00 0.00 43.42 40.31 2dm0 n LEU 110 CO 0.31 -1.12 -0.62 -2.11 -1.33 0.00 0.00 177.39 172.52 2dm0 n ARG 111 N 8.69 3.40 -3.68 3.23 1.85 -1.26 -4.51 116.66 124.39 2dm0 n ARG 111 Ca 0.50 -0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.99 2dm0 n ARG 111 Cb 0.29 -1.09 -0.08 0.00 -1.05 0.00 0.00 32.46 30.53 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 -2.09 3.75 -1.18 2.89 2.02 -1.24 -5.00 117.35 116.50 2dm0 s TYR 112 Ca -0.02 -2.97 -0.23 0.00 -0.37 0.00 0.00 57.07 53.48 2dm0 s TYR 112 Cb 0.01 -3.19 -0.09 0.00 -0.40 0.00 0.00 41.96 38.29 2dm0 s TYR 112 CO 0.15 -0.75 1.93 -0.35 -1.57 0.00 0.00 175.55 174.96 2dm0 n PRO 113 N 2.59 1.60 -1.39 -1.71 -0.04 -1.26 -2.58 135.00 132.21 2dm0 n PRO 113 Ca 0.18 -2.46 -0.50 0.00 -0.04 0.00 0.00 63.50 60.69 2dm0 n PRO 113 Cb 0.37 -3.71 -0.12 0.00 -0.04 0.00 0.00 33.50 30.00 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 0.02 -1.16 0.52 0.31 -1.14 -4.67 118.33 119.95 2dm0 n VAL 114 Ca 0.45 -0.08 -0.30 0.00 -0.01 0.00 0.00 64.34 64.40 2dm0 n VAL 114 Cb 0.46 -0.78 0.13 0.00 -0.91 0.00 0.00 33.84 32.75 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 7.77 1.63 0.08 2.92 0.00 -1.26 -4.24 107.32 114.23 2dm0 s GLY 115 Ca 1.24 0.05 -0.28 0.00 0.00 0.00 0.00 44.72 45.73 2dm0 s GLY 115 CO 0.55 0.51 1.45 1.41 0.00 0.00 0.00 173.10 177.02 2dm0 h LEU 116 N -1.51 -1.31 -0.03 0.66 3.38 -1.78 -2.83 115.31 111.89 2dm0 h LEU 116 Ca -0.48 0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.66 2dm0 h LEU 116 Cb 1.27 0.48 -0.06 0.00 0.09 0.00 0.00 40.66 42.45 2dm0 h LEU 116 CO 0.53 -0.45 -0.37 0.00 0.09 0.00 0.00 178.44 178.23 2dm0 h MET 117 N -0.61 -0.49 0.00 1.13 -0.00 -1.93 -3.45 114.93 109.59 2dm0 h MET 117 Ca -0.00 0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.73 2dm0 h MET 117 Cb 0.62 0.11 0.00 0.00 -0.00 0.00 0.00 31.60 32.33 2dm0 h MET 117 CO -0.24 -0.33 0.00 0.41 -0.00 0.00 0.00 176.91 176.75 2dm0 n GLY 118 N -1.43 1.37 2.65 -3.00 0.00 -1.07 -4.69 105.19 99.00 2dm0 n GLY 118 Ca -0.05 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 2.67 -0.21 1.61 0.15 -1.26 -4.96 113.70 111.70 2dm0 s SER 119 Ca 0.00 -0.77 -0.30 0.00 0.70 0.00 0.00 55.95 55.58 2dm0 s SER 119 Cb 0.00 -0.38 0.15 0.00 -1.71 0.00 0.00 66.02 64.09 2dm0 s SER 119 CO 0.00 -0.35 1.15 -0.55 1.20 0.00 0.00 173.24 174.70 2dm0 s SER 120 N 2.04 -0.22 -0.06 5.45 0.15 -1.26 -5.16 113.70 114.63 2dm0 s SER 120 Ca 0.02 0.22 -0.02 0.00 0.70 0.00 0.00 55.95 56.87 2dm0 s SER 120 Cb -0.16 0.18 0.03 0.00 -1.71 0.00 0.00 66.02 64.36 2dm0 s SER 120 CO -0.12 -0.22 0.06 -0.83 1.20 0.00 0.00 173.24 173.34 2dm0 s GLY 121 N -1.15 0.23 0.72 9.45 0.00 -1.26 -5.15 107.32 110.17 2dm0 s GLY 121 Ca 0.03 0.11 -0.12 0.00 0.00 0.00 0.00 44.72 44.74 2dm0 s GLY 121 CO -0.03 1.44 1.10 2.56 0.00 0.00 0.00 173.10 178.17 2dm0 s PRO 122 N 2.16 2.50 -0.22 2.90 0.04 -1.26 -5.02 135.00 136.11 2dm0 s PRO 122 Ca 0.05 1.27 -0.14 0.00 0.04 0.00 0.00 61.00 62.21 2dm0 s PRO 122 Cb -0.13 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 2dm0 s PRO 122 CO -0.04 -1.47 -0.32 -1.13 0.04 0.00 0.00 177.00 174.08 2dm0 n SER 123 N -3.03 1.81 -4.96 6.66 3.41 -1.26 -5.02 113.62 111.23 2dm0 n SER 123 Ca 0.10 0.31 -0.22 0.00 -0.26 0.00 0.00 58.87 58.80 2dm0 n SER 123 Cb 0.53 -0.73 -0.01 0.00 -0.26 0.00 0.00 64.21 63.73 2dm0 n SER 123 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dm0 s SER 124 N -6.82 6.23 0.00 4.04 0.01 -1.26 -5.39 113.70 110.52 2dm0 s SER 124 Ca -0.32 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.08 2dm0 s SER 124 Cb 0.10 -1.79 0.00 0.00 0.21 0.00 0.00 66.02 64.54 2dm0 s SER 124 CO 0.43 -0.22 0.23 0.61 0.41 0.00 0.00 173.24 174.70