#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 6.26 -1.19 1.61 0.15 -1.26 -4.34 113.70 114.94 2dm0 s SER 2 Ca 0.00 0.92 -0.01 0.00 0.70 0.00 0.00 55.95 57.56 2dm0 s SER 2 Cb 0.00 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 2dm0 s SER 2 CO 0.00 -0.57 0.99 -1.20 1.20 0.00 0.00 173.24 173.66 2dm0 n SER 3 N -2.25 -2.38 0.00 5.45 7.64 -1.26 -4.98 113.62 115.84 2dm0 n SER 3 Ca 0.00 -0.60 0.00 0.00 1.01 0.00 0.00 58.87 59.28 2dm0 n SER 3 Cb 0.55 -5.02 0.00 0.00 -1.01 0.00 0.00 64.21 58.73 2dm0 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dm0 n GLY 4 N -1.20 2.61 2.71 0.23 0.00 -1.26 -5.11 105.19 103.18 2dm0 n GLY 4 Ca -0.26 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 2dm0 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dm0 s SER 5 N 0.00 3.57 -0.02 1.61 0.15 -1.26 -4.83 113.70 112.91 2dm0 s SER 5 Ca 0.00 -2.88 0.01 0.00 0.70 0.00 0.00 55.95 53.79 2dm0 s SER 5 Cb 0.00 -1.07 0.01 0.00 -1.71 0.00 0.00 66.02 63.25 2dm0 s SER 5 CO 0.00 -0.23 -0.04 -0.44 1.20 0.00 0.00 173.24 173.74 2dm0 s SER 6 N 0.03 0.66 0.43 5.45 0.01 -1.26 -5.09 113.70 113.93 2dm0 s SER 6 Ca 0.21 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.38 2dm0 s SER 6 Cb -0.18 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 65.81 2dm0 s SER 6 CO -0.05 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.19 2dm0 n GLY 7 N 3.65 -0.15 3.71 3.44 0.00 -1.26 -4.73 105.19 109.85 2dm0 n GLY 7 Ca -0.21 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 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 7.28 0.03 1.61 3.84 -1.26 -5.04 114.94 117.40 2dm0 s ASN 8 Ca 0.00 1.79 0.03 0.00 0.21 0.00 0.00 52.86 54.89 2dm0 s ASN 8 Cb 0.00 -2.57 -0.02 0.00 -0.55 0.00 0.00 41.25 38.11 2dm0 s ASN 8 CO 0.00 -0.31 -0.09 -0.54 -2.79 0.00 0.00 177.10 173.36 2dm0 s LYS 9 N 0.94 0.64 0.46 0.43 -0.14 -1.26 -5.12 119.74 115.69 2dm0 s LYS 9 Ca 0.54 -0.59 -0.16 0.00 -1.36 0.00 0.00 55.97 54.40 2dm0 s LYS 9 Cb -0.24 -0.55 -0.13 0.00 -1.68 0.00 0.00 37.83 35.23 2dm0 s LYS 9 CO 0.29 0.13 -0.13 -0.89 -0.76 0.00 0.00 175.35 173.99 2dm0 n ILE 10 N 2.04 0.00 -3.93 2.17 2.08 -1.26 -4.92 119.36 115.54 2dm0 n ILE 10 Ca -0.18 -0.44 -0.33 0.00 0.56 0.00 0.00 62.75 62.36 2dm0 n ILE 10 Cb 0.56 0.00 -0.14 0.00 -0.75 0.00 0.00 39.64 39.31 2dm0 n ILE 10 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 2dm0 s THR 11 N -1.76 2.68 -0.39 1.39 2.01 -1.26 -5.07 115.64 113.23 2dm0 s THR 11 Ca 0.50 -2.34 -0.21 0.00 0.31 0.00 0.00 61.69 59.95 2dm0 s THR 11 Cb -0.43 -2.91 0.01 0.00 0.01 0.00 0.00 72.50 69.18 2dm0 s THR 11 CO 0.59 -0.65 0.64 0.54 -0.69 0.00 0.00 174.62 175.05 2dm0 s ASN 12 N 1.12 6.38 -0.11 3.53 4.22 -1.26 -4.87 114.94 123.95 2dm0 s ASN 12 Ca 0.11 -0.07 0.02 0.00 -2.14 0.00 0.00 52.86 50.78 2dm0 s ASN 12 Cb -0.21 -2.33 -0.08 0.00 1.28 0.00 0.00 41.25 39.92 2dm0 s ASN 12 CO -0.06 -0.68 -0.08 0.18 -2.04 0.00 0.00 177.10 174.42 2dm0 n LEU 13 N 6.16 2.46 -0.34 3.54 4.77 -1.26 -4.61 117.00 127.72 2dm0 n LEU 13 Ca -0.01 -0.05 0.23 0.00 -0.03 0.00 0.00 56.01 56.15 2dm0 n LEU 13 Cb 0.48 -0.28 0.46 0.00 -2.33 0.00 0.00 43.42 41.75 2dm0 n LEU 13 CO 0.51 0.60 1.13 1.05 -1.33 0.00 0.00 177.39 179.35 2dm0 h GLU 14 N 0.00 0.35 -1.10 3.23 4.11 -1.89 0.35 114.58 119.63 2dm0 h GLU 14 Ca -0.25 -0.02 0.33 0.00 0.07 0.00 0.00 59.36 59.50 2dm0 h GLU 14 Cb 1.41 -0.08 -0.13 0.00 0.50 0.00 0.00 28.75 30.46 2dm0 h GLU 14 CO -0.03 0.23 0.67 -0.84 0.07 0.00 0.00 179.01 179.12 2dm0 h ILE 15 N 0.36 0.32 -4.37 -1.06 3.07 -1.97 -3.40 117.51 110.47 2dm0 h ILE 15 Ca 0.72 -0.10 -0.47 0.00 1.55 0.00 0.00 64.86 66.56 2dm0 h ILE 15 Cb 1.61 0.01 0.09 0.00 -0.27 0.00 0.00 36.82 38.26 2dm0 h ILE 15 CO -0.58 0.05 0.36 -0.31 -1.05 0.00 0.00 178.15 176.62 2dm0 s TYR 16 N -5.52 2.95 -0.22 0.16 2.02 0.12 -5.03 117.35 111.82 2dm0 s TYR 16 Ca -0.09 0.67 -0.00 0.00 -0.37 0.00 0.00 57.07 57.27 2dm0 s TYR 16 Cb 0.29 -3.41 -0.14 0.00 -0.40 0.00 0.00 41.96 38.30 2dm0 s TYR 16 CO 0.80 -1.66 -0.21 -0.85 -1.57 0.00 0.00 175.55 172.06 2dm0 n GLU 17 N -3.20 0.54 0.09 -0.62 0.28 -1.26 -4.35 120.64 112.13 2dm0 n GLU 17 Ca 0.08 0.14 0.05 0.00 -0.16 0.00 0.00 57.16 57.27 2dm0 n GLU 17 Cb 0.61 -1.43 0.29 0.00 1.43 0.00 0.00 31.44 32.34 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 -3.28 0.36 -2.95 -1.84 4.27 -1.25 -3.51 117.44 109.23 2dm0 n TRP 18 Ca -0.40 0.19 -0.44 0.00 -3.89 0.00 0.00 57.50 52.96 2dm0 n TRP 18 Cb 0.90 -0.73 -0.01 0.00 -1.36 0.00 0.00 31.31 30.12 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 -3.20 3.38 -0.55 -2.67 5.04 -1.26 -0.38 117.35 117.71 2dm0 s TYR 19 Ca -0.01 -1.86 -0.27 0.00 -2.44 0.00 0.00 57.07 52.49 2dm0 s TYR 19 Cb 0.03 -4.28 0.03 0.00 0.35 0.00 0.00 41.96 38.09 2dm0 s TYR 19 CO 0.10 -1.41 1.08 -1.01 -1.34 0.00 0.00 175.55 172.96 2dm0 s HIS 20 N 1.91 2.72 0.10 4.97 3.76 0.53 -4.84 115.29 124.44 2dm0 s HIS 20 Ca 0.38 0.30 0.05 0.00 -0.15 0.00 0.00 55.06 55.64 2dm0 s HIS 20 Cb -0.04 -4.30 -0.04 0.00 1.11 0.00 0.00 32.58 29.31 2dm0 s HIS 20 CO -0.04 -1.43 -0.03 -0.98 -0.85 0.00 0.00 174.74 171.42 2dm0 s ARG 21 N 4.44 2.44 -0.52 1.40 3.03 -1.26 -3.83 118.95 124.66 2dm0 s ARG 21 Ca 0.39 -0.89 -0.03 0.00 2.03 0.00 0.00 55.73 57.23 2dm0 s ARG 21 Cb -0.09 -2.48 0.00 0.00 -1.03 0.00 0.00 34.95 31.35 2dm0 s ARG 21 CO 0.24 0.53 0.45 -1.71 -1.13 0.00 0.00 175.30 173.68 2dm0 n ASN 22 N 0.58 -3.24 -3.24 -2.89 5.15 -1.26 -5.05 115.26 105.31 2dm0 n ASN 22 Ca -0.11 -0.22 -0.18 0.00 -0.60 0.00 0.00 54.58 53.46 2dm0 n ASN 22 Cb 0.52 -2.29 -0.05 0.00 -0.53 0.00 0.00 39.78 37.43 2dm0 n ASN 22 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 2dm0 n ILE 23 N -3.13 0.00 -4.12 -1.44 -5.35 -1.26 -5.16 119.36 98.91 2dm0 n ILE 23 Ca -0.03 -1.68 -0.10 0.00 -0.27 0.00 0.00 62.75 60.66 2dm0 n ILE 23 Cb 0.54 0.58 -0.10 0.00 -1.74 0.00 0.00 39.64 38.91 2dm0 n ILE 23 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2dm0 s THR 24 N -2.60 0.52 0.22 7.28 -1.32 -1.26 -4.96 115.64 113.52 2dm0 s THR 24 Ca 0.13 -1.65 0.00 0.00 -1.21 0.00 0.00 61.69 58.97 2dm0 s THR 24 Cb 0.01 -1.31 0.30 0.00 -1.51 0.00 0.00 72.50 69.99 2dm0 s THR 24 CO 0.09 -0.77 1.11 -1.14 -2.21 0.00 0.00 174.62 171.71 2dm0 n ARG 25 N 0.43 -0.06 0.02 7.08 0.63 -1.26 0.16 116.66 123.66 2dm0 n ARG 25 Ca -0.16 1.07 -0.10 0.00 -0.92 0.00 0.00 57.85 57.74 2dm0 n ARG 25 Cb 0.59 -1.69 -0.04 0.00 0.45 0.00 0.00 32.46 31.77 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 -0.30 -0.03 6.15 2.35 -1.99 -0.09 115.58 121.68 2dm0 h ASN 26 Ca 0.42 0.06 0.01 0.00 -0.55 0.00 0.00 56.30 56.23 2dm0 h ASN 26 Cb 0.84 0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.34 2dm0 h ASN 26 CO -0.68 -0.14 -0.02 1.56 -1.65 0.00 0.00 177.43 176.50 2dm0 h GLN 27 N -0.14 -0.03 0.33 0.81 1.08 0.11 0.36 115.11 117.64 2dm0 h GLN 27 Ca 0.06 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.26 2dm0 h GLN 27 Cb 0.22 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.63 2dm0 h GLN 27 CO -0.15 -0.02 -0.46 0.00 -0.95 0.00 0.00 178.83 177.25 2dm0 h ALA 28 N 0.99 -0.96 0.58 3.87 0.00 -0.88 0.27 119.26 123.14 2dm0 h ALA 28 Ca 0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2dm0 h ALA 28 Cb 0.06 0.71 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2dm0 h ALA 28 CO -0.04 -1.09 -0.30 0.93 0.00 0.00 0.00 179.25 178.75 2dm0 h GLU 29 N -0.84 -0.78 -0.48 0.00 5.08 -0.95 -2.53 114.58 114.07 2dm0 h GLU 29 Ca -0.03 0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.48 2dm0 h GLU 29 Cb 0.78 0.18 -0.10 0.00 0.50 0.00 0.00 28.75 30.11 2dm0 h GLU 29 CO -0.14 -0.52 -0.23 1.25 -1.00 0.00 0.00 179.01 178.37 2dm0 h HIS 30 N -0.81 -0.60 -0.27 4.33 2.76 -0.20 -1.32 115.15 119.03 2dm0 h HIS 30 Ca -0.08 0.05 0.06 0.00 -2.20 0.00 0.00 60.37 58.21 2dm0 h HIS 30 Cb 0.64 0.34 -0.08 0.00 1.55 0.00 0.00 27.41 29.85 2dm0 h HIS 30 CO -0.05 -0.31 -0.40 -0.07 -1.30 0.00 0.00 177.93 175.80 2dm0 h LEU 31 N -0.13 -1.28 -0.64 0.26 3.38 -0.34 -1.05 115.31 115.52 2dm0 h LEU 31 Ca 0.22 0.19 0.12 0.00 0.09 0.00 0.00 57.88 58.50 2dm0 h LEU 31 Cb 0.48 0.55 -0.09 0.00 0.09 0.00 0.00 40.66 41.69 2dm0 h LEU 31 CO -0.56 -0.38 0.17 -0.07 0.09 0.00 0.00 178.44 177.69 2dm0 h LEU 32 N -0.38 0.07 -2.08 1.67 3.38 -0.89 0.32 115.31 117.40 2dm0 h LEU 32 Ca 0.12 0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.25 2dm0 h LEU 32 Cb 0.59 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2dm0 h LEU 32 CO -0.48 0.03 0.34 0.03 0.09 0.00 0.00 178.44 178.45 2dm0 h ARG 33 N 0.31 0.00 -0.52 1.13 2.47 -0.12 0.86 114.38 118.50 2dm0 h ARG 33 Ca 0.34 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 59.01 2dm0 h ARG 33 Cb 0.51 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.80 2dm0 h ARG 33 CO -0.40 0.00 0.12 1.96 0.56 0.00 0.00 179.97 182.20 2dm0 h GLN 34 N 0.00 0.80 0.03 0.04 1.08 0.08 -2.86 115.11 114.29 2dm0 h GLN 34 Ca 0.09 -0.16 -0.26 0.00 -1.45 0.00 0.00 58.65 56.87 2dm0 h GLN 34 Cb 0.77 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 28.05 2dm0 h GLN 34 CO -0.00 0.73 -1.36 0.93 -0.95 0.00 0.00 178.83 178.18 2dm0 h GLU 35 N 0.77 0.07 -6.91 1.46 3.07 -0.92 -3.48 114.58 108.65 2dm0 h GLU 35 Ca 0.17 -0.13 -0.59 0.00 -0.50 0.00 0.00 59.36 58.32 2dm0 h GLU 35 Cb 0.30 0.05 -0.10 0.00 -0.84 0.00 0.00 28.75 28.16 2dm0 h GLU 35 CO -0.00 0.89 -0.98 -1.13 -1.40 0.00 0.00 179.01 176.39 2dm0 n SER 36 N -3.29 -1.62 -3.65 1.42 3.41 -0.94 -4.94 113.62 104.00 2dm0 n SER 36 Ca -0.10 -1.24 -0.15 0.00 -0.26 0.00 0.00 58.87 57.12 2dm0 n SER 36 Cb 1.00 -1.90 -0.08 0.00 -0.26 0.00 0.00 64.21 62.97 2dm0 n SER 36 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2dm0 s LYS 37 N -7.23 0.78 -0.04 4.33 -2.85 -1.26 -5.11 119.74 108.35 2dm0 s LYS 37 Ca 0.23 0.46 -0.30 0.00 -1.00 0.00 0.00 55.97 55.36 2dm0 s LYS 37 Cb -0.12 0.37 -0.07 0.00 -2.06 0.00 0.00 37.83 35.96 2dm0 s LYS 37 CO 0.97 -0.17 1.81 -2.00 0.10 0.00 0.00 175.35 176.06 2dm0 s GLU 38 N -0.43 4.06 0.00 1.78 2.12 -1.26 -2.96 118.70 122.01 2dm0 s GLU 38 Ca -0.06 2.30 0.00 0.00 0.36 0.00 0.00 54.97 57.57 2dm0 s GLU 38 Cb -0.03 -4.09 0.00 0.00 0.26 0.00 0.00 34.13 30.27 2dm0 s GLU 38 CO 0.04 -1.02 0.00 0.41 -0.54 0.00 0.00 175.26 174.15 2dm0 n GLY 39 N 4.46 1.20 3.68 -1.50 0.00 -1.19 -4.82 105.19 107.01 2dm0 n GLY 39 Ca 0.19 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.76 2dm0 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dm0 n ALA 40 N 0.00 1.38 -2.14 4.61 0.00 -1.15 -2.70 120.51 120.51 2dm0 n ALA 40 Ca 0.00 0.31 -0.09 0.00 0.00 0.00 0.00 53.44 53.65 2dm0 n ALA 40 Cb 0.00 -2.53 -0.10 0.00 0.00 0.00 0.00 19.45 16.82 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 3.29 0.76 0.09 0.00 -0.71 -1.09 0.81 117.98 121.12 2dm0 s PHE 41 Ca 0.87 -1.00 -0.22 0.00 -1.04 0.00 0.00 56.93 55.55 2dm0 s PHE 41 Cb -0.60 -0.47 0.05 0.00 -1.21 0.00 0.00 43.02 40.79 2dm0 s PHE 41 CO 0.44 -0.26 0.53 0.96 -1.34 0.00 0.00 175.22 175.55 2dm0 s ILE 42 N -3.77 0.03 -0.14 -4.49 -4.36 -0.40 -3.47 121.20 104.60 2dm0 s ILE 42 Ca 0.11 -0.23 0.01 0.00 -0.26 0.00 0.00 60.65 60.28 2dm0 s ILE 42 Cb 0.07 -1.02 0.02 0.00 1.25 0.00 0.00 42.46 42.78 2dm0 s ILE 42 CO -0.06 -0.13 -0.14 -0.69 0.24 0.00 0.00 174.94 174.16 2dm0 s VAL 43 N -2.99 1.53 0.27 8.37 1.01 0.49 -0.11 120.40 128.96 2dm0 s VAL 43 Ca -0.02 -0.62 0.10 0.00 0.00 0.00 0.00 61.98 61.44 2dm0 s VAL 43 Cb -0.00 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 2dm0 s VAL 43 CO -0.06 0.45 -0.02 0.00 0.00 0.00 0.00 175.10 175.47 2dm0 s ARG 44 N 1.37 2.26 0.05 2.72 1.70 -0.07 -0.34 118.95 126.63 2dm0 s ARG 44 Ca 0.02 -1.44 -0.13 0.00 -0.47 0.00 0.00 55.73 53.71 2dm0 s ARG 44 Cb -0.13 -2.14 -0.06 0.00 -0.57 0.00 0.00 34.95 32.05 2dm0 s ARG 44 CO -0.08 0.36 0.43 0.34 -1.08 0.00 0.00 175.30 175.27 2dm0 s ASP 45 N -3.67 6.77 0.14 -2.89 -1.08 -1.26 -0.81 116.67 113.87 2dm0 s ASP 45 Ca 0.31 0.94 -0.26 0.00 -0.52 0.00 0.00 52.55 53.03 2dm0 s ASP 45 Cb -0.06 -2.24 -0.07 0.00 -1.46 0.00 0.00 42.92 39.09 2dm0 s ASP 45 CO 0.20 0.24 0.80 -0.44 0.52 0.00 0.00 175.17 176.48 2dm0 s SER 46 N -1.39 7.37 -0.07 -0.34 0.01 0.74 -4.88 113.70 115.14 2dm0 s SER 46 Ca 0.29 1.62 -0.22 0.00 1.31 0.00 0.00 55.95 58.95 2dm0 s SER 46 Cb -0.16 -2.50 -0.30 0.00 0.21 0.00 0.00 66.02 63.27 2dm0 s SER 46 CO 0.16 0.14 0.82 0.03 0.41 0.00 0.00 173.24 174.79 2dm0 h ARG 47 N 4.74 0.24 -0.94 12.44 3.08 -1.98 -3.32 114.38 128.64 2dm0 h ARG 47 Ca -0.46 -0.42 0.20 0.00 0.07 0.00 0.00 59.98 59.37 2dm0 h ARG 47 Cb 1.21 0.16 -0.08 0.00 0.08 0.00 0.00 29.97 31.33 2dm0 h ARG 47 CO 0.68 1.20 0.61 1.12 -1.07 0.00 0.00 179.97 182.50 2dm0 h HIS 48 N -0.47 0.73 -3.21 3.04 2.07 -1.98 -3.45 115.15 111.89 2dm0 h HIS 48 Ca -0.15 0.02 -0.06 0.00 -2.85 0.00 0.00 60.37 57.34 2dm0 h HIS 48 Cb 1.56 -0.22 -0.02 0.00 2.57 0.00 0.00 27.41 31.30 2dm0 h HIS 48 CO 0.20 0.19 0.18 -1.17 -3.07 0.00 0.00 177.93 174.26 2dm0 s LEU 49 N -9.72 0.17 0.00 6.12 2.96 -1.25 -5.03 118.68 111.93 2dm0 s LEU 49 Ca -0.09 -1.17 -0.03 0.00 -0.22 0.00 0.00 54.13 52.62 2dm0 s LEU 49 Cb 0.23 2.59 -0.13 0.00 0.50 0.00 0.00 46.19 49.39 2dm0 s LEU 49 CO 0.79 -1.59 2.32 0.61 -1.32 0.00 0.00 176.35 177.16 2dm0 n GLY 50 N -0.53 2.29 3.04 7.98 0.00 -1.26 -4.01 105.19 112.70 2dm0 n GLY 50 Ca -0.06 -0.57 -0.15 0.00 0.00 0.00 0.00 46.02 45.23 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 2.27 1.55 -3.90 1.61 7.64 -1.26 -4.90 113.62 116.63 2dm0 n SER 51 Ca 0.20 -2.15 -0.11 0.00 1.01 0.00 0.00 58.87 57.83 2dm0 n SER 51 Cb 0.56 -0.36 -0.10 0.00 -1.01 0.00 0.00 64.21 63.30 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 -1.88 0.10 -0.05 1.43 1.51 -1.25 -0.19 117.35 117.01 2dm0 s TYR 52 Ca 0.48 -0.22 0.02 0.00 -1.01 0.00 0.00 57.07 56.34 2dm0 s TYR 52 Cb -0.04 -0.08 0.01 0.00 -0.11 0.00 0.00 41.96 41.74 2dm0 s TYR 52 CO 0.31 -0.24 -0.10 0.99 -1.11 0.00 0.00 175.55 175.40 2dm0 s THR 53 N -1.29 0.95 -0.02 -0.71 2.01 0.01 0.08 115.64 116.67 2dm0 s THR 53 Ca -0.14 -0.38 -0.13 0.00 0.31 0.00 0.00 61.69 61.35 2dm0 s THR 53 Cb -0.08 -0.89 -0.05 0.00 0.01 0.00 0.00 72.50 71.49 2dm0 s THR 53 CO 0.01 0.31 0.35 -0.63 -0.69 0.00 0.00 174.62 173.97 2dm0 s ILE 54 N 0.66 5.13 -0.27 1.82 1.01 0.93 -0.89 121.20 129.59 2dm0 s ILE 54 Ca -0.13 0.70 0.01 0.00 0.00 0.00 0.00 60.65 61.23 2dm0 s ILE 54 Cb -0.15 -3.65 0.08 0.00 0.01 0.00 0.00 42.46 38.76 2dm0 s ILE 54 CO 0.03 0.58 0.01 -0.55 0.00 0.00 0.00 174.94 175.01 2dm0 s SER 55 N -1.09 3.97 0.14 3.58 0.15 0.84 -0.25 113.70 121.04 2dm0 s SER 55 Ca 0.22 -1.43 0.04 0.00 0.70 0.00 0.00 55.95 55.48 2dm0 s SER 55 Cb -0.16 -1.12 -0.04 0.00 -1.71 0.00 0.00 66.02 62.99 2dm0 s SER 55 CO 0.12 -0.31 0.17 -0.69 1.20 0.00 0.00 173.24 173.72 2dm0 s VAL 56 N 1.41 4.76 -0.42 4.45 1.01 -1.19 -1.28 120.40 129.13 2dm0 s VAL 56 Ca 0.01 -0.90 -0.14 0.00 0.00 0.00 0.00 61.98 60.95 2dm0 s VAL 56 Cb -0.18 -3.41 0.03 0.00 0.00 0.00 0.00 36.38 32.82 2dm0 s VAL 56 CO -0.11 -0.06 0.31 0.12 0.00 0.00 0.00 175.10 175.35 2dm0 s PHE 57 N -1.69 3.24 -0.14 5.22 2.19 0.24 -1.42 117.98 125.63 2dm0 s PHE 57 Ca 0.32 -0.73 -0.23 0.00 0.33 0.00 0.00 56.93 56.62 2dm0 s PHE 57 Cb -0.11 -2.70 -0.20 0.00 -1.31 0.00 0.00 43.02 38.70 2dm0 s PHE 57 CO 0.25 -0.65 0.58 0.52 1.83 0.00 0.00 175.22 177.75 2dm0 h MET 58 N 8.62 0.00 -0.45 10.12 2.86 -0.21 -3.16 114.93 132.72 2dm0 h MET 58 Ca -0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 2dm0 h MET 58 Cb 1.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.77 2dm0 h MET 58 CO 0.75 0.79 0.00 0.41 1.06 0.00 0.00 176.91 179.92 2dm0 n GLY 59 N 1.64 -1.23 3.04 8.32 0.00 -0.91 -4.55 105.19 111.49 2dm0 n GLY 59 Ca -0.09 -1.01 -0.19 0.00 0.00 0.00 0.00 46.02 44.73 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 1.39 -1.12 0.03 4.61 0.00 -1.18 -4.62 120.51 119.62 2dm0 n ALA 60 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.32 2dm0 n ALA 60 Cb 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 -2.19 0.00 -0.02 0.00 3.00 -1.26 -4.96 116.66 111.24 2dm0 n ARG 61 Ca 0.07 0.00 -0.00 0.00 -0.01 0.00 0.00 57.85 57.90 2dm0 n ARG 61 Cb 0.37 -0.38 -0.00 0.00 0.00 0.00 0.00 32.46 32.45 2dm0 n ARG 61 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 2dm0 h ARG 62 N 0.00 0.00 -6.84 5.56 9.65 -1.95 -3.47 114.38 117.33 2dm0 h ARG 62 Ca 0.00 0.00 -0.49 0.00 -1.10 0.00 0.00 59.98 58.39 2dm0 h ARG 62 Cb 0.42 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.01 2dm0 h ARG 62 CO 0.00 0.00 0.42 0.45 2.80 0.00 0.00 179.97 183.64 2dm0 s SER 63 N -3.95 7.22 0.38 -3.80 0.15 -1.26 -4.89 113.70 107.55 2dm0 s SER 63 Ca -0.01 2.10 0.16 0.00 0.70 0.00 0.00 55.95 58.89 2dm0 s SER 63 Cb 0.00 -2.61 0.87 0.00 -1.71 0.00 0.00 66.02 62.58 2dm0 s SER 63 CO 0.02 -0.16 1.41 0.74 1.20 0.00 0.00 173.24 176.45 2dm0 h THR 64 N 2.82 0.00 -1.73 6.45 2.02 -1.96 -3.43 112.91 117.08 2dm0 h THR 64 Ca -0.47 0.00 -0.33 0.00 0.77 0.00 0.00 66.41 66.39 2dm0 h THR 64 Cb 1.21 0.36 0.18 0.00 -1.74 0.00 0.00 68.15 68.15 2dm0 h THR 64 CO 0.66 0.00 -1.06 -1.84 0.37 0.00 0.00 175.52 173.65 2dm0 n GLU 65 N -2.20 -1.31 -4.50 6.66 0.28 -1.26 -4.83 120.64 113.47 2dm0 n GLU 65 Ca -0.01 -0.38 -0.32 0.00 -0.16 0.00 0.00 57.16 56.29 2dm0 n GLU 65 Cb 0.32 -1.38 -0.05 0.00 1.43 0.00 0.00 31.44 31.76 2dm0 n GLU 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2dm0 n ALA 66 N -4.05 0.56 -3.63 -1.84 0.00 -1.26 -3.11 120.51 107.19 2dm0 n ALA 66 Ca 0.02 -2.32 -0.12 0.00 0.00 0.00 0.00 53.44 51.01 2dm0 n ALA 66 Cb 0.49 1.18 -0.13 0.00 0.00 0.00 0.00 19.45 20.99 2dm0 n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dm0 s ALA 67 N -2.87 -0.55 -0.04 0.00 0.00 -1.26 -4.11 121.76 112.93 2dm0 s ALA 67 Ca 0.09 0.93 0.01 0.00 0.00 0.00 0.00 51.96 52.99 2dm0 s ALA 67 Cb -0.01 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.55 2dm0 s ALA 67 CO 0.06 -0.18 -0.03 0.42 0.00 0.00 0.00 175.76 176.02 2dm0 s ILE 68 N 1.07 0.43 0.41 0.00 1.01 -1.26 0.56 121.20 123.42 2dm0 s ILE 68 Ca -0.08 -0.08 0.08 0.00 0.00 0.00 0.00 60.65 60.58 2dm0 s ILE 68 Cb -0.09 -0.46 -0.00 0.00 0.01 0.00 0.00 42.46 41.91 2dm0 s ILE 68 CO -0.07 0.19 0.48 -0.54 0.00 0.00 0.00 174.94 175.00 2dm0 s LYS 69 N 0.84 2.71 -0.21 2.79 3.01 -0.51 -4.96 119.74 123.42 2dm0 s LYS 69 Ca -0.10 -1.36 -0.04 0.00 -1.01 0.00 0.00 55.97 53.46 2dm0 s LYS 69 Cb -0.13 -2.60 0.08 0.00 -1.01 0.00 0.00 37.83 34.17 2dm0 s LYS 69 CO -0.00 -0.22 0.16 -1.01 0.51 0.00 0.00 175.35 174.79 2dm0 s HIS 70 N -2.39 0.01 -0.27 3.18 3.76 -1.26 -3.19 115.29 115.12 2dm0 s HIS 70 Ca 0.51 -0.22 -0.11 0.00 -0.15 0.00 0.00 55.06 55.10 2dm0 s HIS 70 Cb -0.07 -0.60 -0.05 0.00 1.11 0.00 0.00 32.58 32.97 2dm0 s HIS 70 CO 0.31 -0.63 0.18 0.71 -0.85 0.00 0.00 174.74 174.46 2dm0 s TYR 71 N 2.21 3.23 0.17 1.40 2.02 0.65 -4.92 117.35 122.10 2dm0 s TYR 71 Ca 0.05 0.10 -0.26 0.00 -0.37 0.00 0.00 57.07 56.59 2dm0 s TYR 71 Cb -0.16 -2.35 -0.08 0.00 -0.40 0.00 0.00 41.96 38.97 2dm0 s TYR 71 CO -0.17 -0.14 0.80 -0.65 -1.57 0.00 0.00 175.55 173.83 2dm0 s GLN 72 N 1.64 4.60 -0.49 -0.62 -0.21 -1.26 -0.05 119.66 123.27 2dm0 s GLN 72 Ca 0.07 1.20 -0.12 0.00 0.02 0.00 0.00 55.36 56.53 2dm0 s GLN 72 Cb -0.16 -3.27 0.12 0.00 1.00 0.00 0.00 33.01 30.70 2dm0 s GLN 72 CO 0.10 0.54 0.40 0.42 -2.12 0.00 0.00 175.29 174.62 2dm0 s ILE 73 N -1.04 4.58 0.48 1.08 1.01 0.11 -4.54 121.20 122.88 2dm0 s ILE 73 Ca 0.37 -1.65 0.06 0.00 0.00 0.00 0.00 60.65 59.43 2dm0 s ILE 73 Cb -0.23 -3.97 0.03 0.00 0.01 0.00 0.00 42.46 38.29 2dm0 s ILE 73 CO 0.27 -0.79 0.66 -0.54 0.00 0.00 0.00 174.94 174.53 2dm0 s LYS 74 N 1.45 2.67 -0.03 2.79 1.02 -1.05 -3.96 119.74 122.64 2dm0 s LYS 74 Ca 0.05 -1.17 0.06 0.00 0.02 0.00 0.00 55.97 54.93 2dm0 s LYS 74 Cb -0.27 -2.67 -0.01 0.00 -0.52 0.00 0.00 37.83 34.36 2dm0 s LYS 74 CO 0.01 -0.48 -0.21 0.21 -0.92 0.00 0.00 175.35 173.96 2dm0 s LYS 75 N -4.51 1.90 0.59 1.68 2.20 -1.26 -1.91 119.74 118.43 2dm0 s LYS 75 Ca 0.57 -0.75 -0.01 0.00 -0.36 0.00 0.00 55.97 55.42 2dm0 s LYS 75 Cb -0.09 -1.73 0.12 0.00 -1.51 0.00 0.00 37.83 34.61 2dm0 s LYS 75 CO 0.35 0.38 0.81 0.27 -0.36 0.00 0.00 175.35 176.80 2dm0 n ASN 76 N 2.79 1.02 -0.03 1.43 0.23 -1.00 -4.88 115.26 114.82 2dm0 n ASN 76 Ca -0.16 -1.88 0.16 0.00 -0.53 0.00 0.00 54.58 52.17 2dm0 n ASN 76 Cb 0.53 -0.53 0.59 0.00 -2.08 0.00 0.00 39.78 38.29 2dm0 n ASN 76 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 2dm0 h ASP 77 N -0.52 0.19 -0.02 0.53 3.58 -2.01 0.27 116.42 118.44 2dm0 h ASP 77 Ca -0.27 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.19 2dm0 h ASP 77 Cb 0.97 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.98 2dm0 h ASP 77 CO 0.28 0.11 0.00 -1.20 -2.88 0.00 0.00 179.24 175.55 2dm0 n SER 78 N -4.44 0.69 -4.09 2.28 7.64 -1.26 -4.85 113.62 109.58 2dm0 n SER 78 Ca 0.09 -2.01 -0.34 0.00 1.01 0.00 0.00 58.87 57.63 2dm0 n SER 78 Cb 0.47 -0.30 -0.01 0.00 -1.01 0.00 0.00 64.21 63.37 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 0.23 -0.45 3.51 0.23 0.00 0.94 -4.95 105.19 104.69 2dm0 n GLY 79 Ca 0.01 0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -6.79 2.43 0.20 1.61 -0.21 -1.26 -4.88 119.66 110.76 2dm0 s GLN 80 Ca 0.68 -0.76 -0.29 0.00 0.02 0.00 0.00 55.36 55.01 2dm0 s GLN 80 Cb -0.36 -2.38 -0.08 0.00 1.00 0.00 0.00 33.01 31.19 2dm0 s GLN 80 CO 0.89 0.60 0.91 -1.58 -2.12 0.00 0.00 175.29 173.99 2dm0 s TRP 81 N -0.86 3.93 -0.02 0.91 0.52 -1.10 -2.38 118.94 119.95 2dm0 s TRP 81 Ca 0.14 1.84 -0.20 0.00 0.02 0.00 0.00 56.10 57.90 2dm0 s TRP 81 Cb -0.11 -2.96 0.04 0.00 -1.15 0.00 0.00 33.47 29.29 2dm0 s TRP 81 CO 0.04 0.41 0.42 1.52 0.02 0.00 0.00 176.95 179.36 2dm0 s TYR 82 N -0.90 -0.32 -0.03 -1.98 -0.85 -0.80 -0.52 117.35 111.94 2dm0 s TYR 82 Ca 0.41 0.52 -0.02 0.00 -0.52 0.00 0.00 57.07 57.46 2dm0 s TYR 82 Cb -0.25 0.19 -0.02 0.00 0.38 0.00 0.00 41.96 42.26 2dm0 s TYR 82 CO 0.30 -0.46 -0.06 0.28 -1.52 0.00 0.00 175.55 174.10 2dm0 n VAL 83 N 1.15 0.38 1.40 -3.49 0.31 -1.26 -2.51 118.33 114.31 2dm0 n VAL 83 Ca -0.21 -0.01 0.13 0.00 -0.01 0.00 0.00 64.34 64.24 2dm0 n VAL 83 Cb 0.56 -1.58 0.70 0.00 -0.91 0.00 0.00 33.84 32.62 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 -3.26 2.37 -1.88 3.52 0.00 -1.26 -4.86 120.51 115.13 2dm0 n ALA 84 Ca -0.08 -0.14 -0.16 0.00 0.00 0.00 0.00 53.44 53.06 2dm0 n ALA 84 Cb 0.50 -1.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.16 -1.17 0.00 0.00 1.02 -1.26 -4.78 120.64 113.29 2dm0 n GLU 85 Ca 0.15 0.90 0.00 0.00 -0.02 0.00 0.00 57.16 58.19 2dm0 n GLU 85 Cb 0.15 -5.16 0.00 0.00 -0.02 0.00 0.00 31.44 26.41 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 -2.52 0.99 -4.03 3.49 5.12 -1.26 -5.04 116.66 113.40 2dm0 n ARG 86 Ca -0.17 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.41 2dm0 n ARG 86 Cb 0.58 -0.67 -0.15 0.00 -1.16 0.00 0.00 32.46 31.06 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 2.95 -0.10 -1.55 3.76 -1.26 -5.11 115.29 112.65 2dm0 s HIS 87 Ca 0.00 -1.61 -0.02 0.00 -0.15 0.00 0.00 55.06 53.28 2dm0 s HIS 87 Cb 0.00 -1.99 -0.03 0.00 1.11 0.00 0.00 32.58 31.67 2dm0 s HIS 87 CO 0.00 -0.76 -0.02 0.00 -0.85 0.00 0.00 174.74 173.11 2dm0 s ALA 88 N 1.30 3.15 0.30 -1.40 0.00 -1.26 -4.31 121.76 119.55 2dm0 s ALA 88 Ca 0.02 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.17 2dm0 s ALA 88 Cb -0.15 -1.45 0.02 0.00 0.00 0.00 0.00 23.12 21.54 2dm0 s ALA 88 CO -0.08 0.49 0.16 1.19 0.00 0.00 0.00 175.76 177.52 2dm0 n PHE 89 N 2.52 -0.54 0.13 0.00 3.01 0.32 -4.90 117.46 118.01 2dm0 n PHE 89 Ca -0.18 -1.31 0.04 0.00 1.01 0.00 0.00 57.45 57.01 2dm0 n PHE 89 Cb 0.53 -0.23 -0.06 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 -1.07 1.54 -3.98 -1.08 3.00 -1.26 -2.70 117.38 111.84 2dm0 n GLN 90 Ca -0.04 -0.05 -0.11 0.00 -0.01 0.00 0.00 57.00 56.78 2dm0 n GLN 90 Cb 0.35 -1.11 -0.12 0.00 0.00 0.00 0.00 30.24 29.35 2dm0 n GLN 90 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 2dm0 s SER 91 N -2.63 0.29 0.14 1.08 0.01 -1.26 -4.90 113.70 106.42 2dm0 s SER 91 Ca -0.01 -0.31 -0.18 0.00 1.31 0.00 0.00 55.95 56.76 2dm0 s SER 91 Cb 0.06 0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.31 2dm0 s SER 91 CO 0.37 -0.16 1.79 0.40 0.41 0.00 0.00 173.24 176.05 2dm0 h ILE 92 N 4.82 1.07 0.00 1.44 1.08 -1.98 -1.41 117.51 122.53 2dm0 h ILE 92 Ca -0.30 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.03 2dm0 h ILE 92 Cb 1.21 0.63 0.00 0.00 -3.07 0.00 0.00 36.82 35.59 2dm0 h ILE 92 CO 0.45 0.07 0.00 -0.81 -0.69 0.00 0.00 178.15 177.17 2dm0 n PRO 93 N -4.89 0.45 -0.12 2.37 -0.04 -1.26 -2.96 135.00 128.55 2dm0 n PRO 93 Ca -0.01 0.02 -0.25 0.00 -0.04 0.00 0.00 63.50 63.22 2dm0 n PRO 93 Cb 0.03 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.88 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 -1.04 0.61 -0.18 0.54 4.71 -0.56 -3.19 120.64 121.52 2dm0 n GLU 94 Ca 0.11 0.33 0.21 0.00 -0.01 0.00 0.00 57.16 57.80 2dm0 n GLU 94 Cb 0.06 -1.58 0.58 0.00 -1.01 0.00 0.00 31.44 29.49 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 -0.75 0.26 0.00 -4.62 6.46 -1.37 0.20 115.31 115.49 2dm0 h LEU 95 Ca -0.57 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.18 2dm0 h LEU 95 Cb 1.61 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 41.51 2dm0 h LEU 95 CO -0.27 0.11 -1.15 -0.38 -0.62 0.00 0.00 178.44 176.13 2dm0 n ILE 96 N -4.43 0.68 -0.13 4.05 2.08 -1.24 -3.69 119.36 116.69 2dm0 n ILE 96 Ca 0.17 -0.57 -0.04 0.00 0.56 0.00 0.00 62.75 62.87 2dm0 n ILE 96 Cb 0.71 -0.39 0.04 0.00 -0.75 0.00 0.00 39.64 39.25 2dm0 n ILE 96 CO 0.00 0.00 0.00 -0.25 0.56 0.00 0.00 176.55 176.86 2dm0 h TRP 97 N 0.00 -0.03 0.03 1.39 -0.00 -0.56 -2.03 115.95 114.76 2dm0 h TRP 97 Ca -0.03 0.03 -0.14 0.00 -0.00 0.00 0.00 58.89 58.75 2dm0 h TRP 97 Cb 1.11 0.08 0.01 0.00 -0.00 0.00 0.00 29.16 30.36 2dm0 h TRP 97 CO 0.00 -0.09 -0.56 0.10 -0.00 0.00 0.00 178.44 177.89 2dm0 h TYR 98 N 0.11 0.51 -0.89 2.65 -0.00 -1.71 -3.33 116.97 114.30 2dm0 h TYR 98 Ca 0.21 -0.30 0.15 0.00 -0.00 0.00 0.00 58.73 58.79 2dm0 h TYR 98 Cb 0.30 -0.05 -0.15 0.00 -0.00 0.00 0.00 36.73 36.83 2dm0 h TYR 98 CO -0.28 1.14 -0.35 1.25 -0.00 0.00 0.00 178.16 179.92 2dm0 h HIS 99 N -0.27 -0.95 -1.16 0.10 2.76 -1.57 0.94 115.15 115.00 2dm0 h HIS 99 Ca -0.08 0.09 0.34 0.00 -2.20 0.00 0.00 60.37 58.53 2dm0 h HIS 99 Cb 1.31 0.55 -0.11 0.00 1.55 0.00 0.00 27.41 30.71 2dm0 h HIS 99 CO 0.17 -0.40 0.75 1.96 -1.30 0.00 0.00 177.93 179.11 2dm0 h GLN 100 N -0.04 0.24 0.00 5.26 4.20 -1.48 -0.34 115.11 122.95 2dm0 h GLN 100 Ca 0.34 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 59.03 2dm0 h GLN 100 Cb 0.60 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.33 2dm0 h GLN 100 CO -0.91 0.16 -0.00 1.25 -0.67 0.00 0.00 178.83 178.66 2dm0 h HIS 101 N 0.24 -0.00 -3.80 2.96 2.76 0.67 -3.42 115.15 114.56 2dm0 h HIS 101 Ca 0.70 -0.00 -0.54 0.00 -2.20 0.00 0.00 60.37 58.32 2dm0 h HIS 101 Cb 2.00 0.00 -0.32 0.00 1.55 0.00 0.00 27.41 30.64 2dm0 h HIS 101 CO -0.00 0.97 -0.83 -0.80 -1.30 0.00 0.00 177.93 175.97 2dm0 s ASN 102 N -6.20 2.03 -1.12 3.26 0.01 -0.14 -5.07 114.94 107.72 2dm0 s ASN 102 Ca -0.19 -0.33 -0.16 0.00 -0.71 0.00 0.00 52.86 51.47 2dm0 s ASN 102 Cb -0.03 -0.63 0.15 0.00 0.41 0.00 0.00 41.25 41.15 2dm0 s ASN 102 CO 0.68 0.13 1.35 0.00 -1.51 0.00 0.00 177.10 177.74 2dm0 s ALA 103 N 0.16 3.74 0.04 0.60 0.00 -1.24 -3.93 121.76 121.12 2dm0 s ALA 103 Ca -0.06 -3.13 -0.19 0.00 0.00 0.00 0.00 51.96 48.58 2dm0 s ALA 103 Cb -0.12 -4.13 -0.17 0.00 0.00 0.00 0.00 23.12 18.70 2dm0 s ALA 103 CO 0.02 -2.88 1.25 0.00 0.00 0.00 0.00 175.76 174.16 2dm0 h ALA 104 N 7.77 0.20 -3.00 0.00 0.00 -1.91 -3.39 119.26 118.93 2dm0 h ALA 104 Ca 0.27 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2dm0 h ALA 104 Cb 0.92 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2dm0 h ALA 104 CO 1.21 0.26 0.00 0.41 0.00 0.00 0.00 179.25 181.14 2dm0 n GLY 105 N 0.55 -2.66 3.74 0.00 0.00 -1.26 -4.92 105.19 100.65 2dm0 n GLY 105 Ca -0.07 0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.84 2.39 0.06 0.99 1.43 -1.26 -5.06 118.68 116.38 2dm0 s LEU 106 Ca 0.00 -1.61 -0.17 0.00 -1.03 0.00 0.00 54.13 51.32 2dm0 s LEU 106 Cb 0.00 -0.76 -0.06 0.00 0.03 0.00 0.00 46.19 45.39 2dm0 s LEU 106 CO 0.00 -0.79 1.28 0.24 0.23 0.00 0.00 176.35 177.31 2dm0 h MET 107 N 1.41 -0.27 -6.52 1.70 2.86 -1.91 -3.42 114.93 108.78 2dm0 h MET 107 Ca -0.44 0.02 -0.60 0.00 -2.06 0.00 0.00 59.70 56.62 2dm0 h MET 107 Cb 1.30 0.06 0.10 0.00 0.06 0.00 0.00 31.60 33.12 2dm0 h MET 107 CO 0.75 -0.18 0.33 2.41 1.06 0.00 0.00 176.91 181.28 2dm0 n THR 108 N -4.04 1.57 -4.52 2.22 -1.04 -1.26 -4.80 114.28 102.41 2dm0 n THR 108 Ca -0.03 -0.39 -0.28 0.00 -2.04 0.00 0.00 64.05 61.31 2dm0 n THR 108 Cb 0.19 -1.18 -0.13 0.00 -1.82 0.00 0.00 70.33 67.39 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 -1.15 1.46 -0.41 -2.82 1.70 -1.26 -4.84 118.95 111.62 2dm0 s ARG 109 Ca 0.63 -1.24 -0.27 0.00 -0.47 0.00 0.00 55.73 54.38 2dm0 s ARG 109 Cb -0.69 -1.82 -0.05 0.00 -0.57 0.00 0.00 34.95 31.82 2dm0 s ARG 109 CO 0.57 0.44 2.20 -0.51 -1.08 0.00 0.00 175.30 176.92 2dm0 s LEU 110 N -1.78 3.41 0.00 -1.89 1.43 -1.26 -4.41 118.68 114.19 2dm0 s LEU 110 Ca 0.12 1.25 0.00 0.00 -1.03 0.00 0.00 54.13 54.47 2dm0 s LEU 110 Cb -0.10 -2.93 0.00 0.00 0.03 0.00 0.00 46.19 43.19 2dm0 s LEU 110 CO 0.04 -2.40 0.00 -2.11 0.23 0.00 0.00 176.35 172.11 2dm0 n ARG 111 N 8.89 2.92 -3.71 1.70 1.85 -1.15 -4.46 116.66 122.71 2dm0 n ARG 111 Ca 0.31 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.79 2dm0 n ARG 111 Cb 0.51 -0.90 -0.09 0.00 -1.05 0.00 0.00 32.46 30.92 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 -1.77 3.42 -1.18 2.89 2.02 -1.10 -4.99 117.35 116.65 2dm0 s TYR 112 Ca 0.00 -2.69 -0.23 0.00 -0.37 0.00 0.00 57.07 53.78 2dm0 s TYR 112 Cb 0.00 -3.22 -0.09 0.00 -0.40 0.00 0.00 41.96 38.25 2dm0 s TYR 112 CO 0.00 -0.85 1.93 -0.35 -1.57 0.00 0.00 175.55 174.71 2dm0 n PRO 113 N 3.52 1.62 -1.43 -1.71 -0.04 -1.26 -2.68 135.00 133.01 2dm0 n PRO 113 Ca 0.08 -2.47 -0.56 0.00 -0.04 0.00 0.00 63.50 60.51 2dm0 n PRO 113 Cb 0.38 -3.71 -0.08 0.00 -0.04 0.00 0.00 33.50 30.05 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 7.75 0.00 -2.23 0.52 0.31 -1.23 -4.65 118.33 118.81 2dm0 n VAL 114 Ca 0.45 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 64.39 2dm0 n VAL 114 Cb 0.46 -0.17 -0.02 0.00 -0.91 0.00 0.00 33.84 33.21 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 0.99 2.92 0.11 2.92 0.00 -1.26 -3.90 107.32 109.10 2dm0 s GLY 115 Ca 0.86 1.07 -0.24 0.00 0.00 0.00 0.00 44.72 46.41 2dm0 s GLY 115 CO 0.59 1.63 1.41 1.41 0.00 0.00 0.00 173.10 178.14 2dm0 h LEU 116 N 2.89 -1.52 -3.69 0.66 3.38 -1.88 0.14 115.31 115.29 2dm0 h LEU 116 Ca -0.49 0.22 -0.47 0.00 0.09 0.00 0.00 57.88 57.23 2dm0 h LEU 116 Cb 1.23 0.65 -0.21 0.00 0.09 0.00 0.00 40.66 42.43 2dm0 h LEU 116 CO 0.63 -0.24 0.61 0.23 0.09 0.00 0.00 178.44 179.77 2dm0 n MET 117 N -4.70 2.17 0.00 1.13 2.81 -1.26 -5.00 117.12 112.28 2dm0 n MET 117 Ca -0.01 -2.32 0.00 0.00 -1.81 0.00 0.00 57.70 53.57 2dm0 n MET 117 Cb 0.23 -1.91 0.00 0.00 -0.71 0.00 0.00 33.22 30.83 2dm0 n MET 117 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2dm0 n GLY 118 N -0.25 1.47 2.58 3.03 0.00 0.50 -2.39 105.19 110.14 2dm0 n GLY 118 Ca 0.45 0.25 -0.08 0.00 0.00 0.00 0.00 46.02 46.63 2dm0 n GLY 118 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dm0 n SER 119 N 1.56 2.61 0.03 1.61 2.88 -1.26 -4.70 113.62 116.35 2dm0 n SER 119 Ca 0.00 -2.62 -0.11 0.00 -1.33 0.00 0.00 58.87 54.81 2dm0 n SER 119 Cb 0.00 -0.44 -0.08 0.00 -0.75 0.00 0.00 64.21 62.94 2dm0 n SER 119 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2dm0 h SER 120 N 2.52 -0.15 -2.71 -3.46 0.87 -1.92 -3.43 113.55 105.28 2dm0 h SER 120 Ca 0.02 -0.40 -0.55 0.00 -1.23 0.00 0.00 61.79 59.63 2dm0 h SER 120 Cb 1.32 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.31 2dm0 h SER 120 CO 0.39 0.44 1.01 -0.83 -0.53 0.00 0.00 176.83 177.32 2dm0 s GLY 121 N -3.38 1.60 0.05 5.77 0.00 -1.26 -4.92 107.32 105.19 2dm0 s GLY 121 Ca -0.13 0.88 -0.19 0.00 0.00 0.00 0.00 44.72 45.28 2dm0 s GLY 121 CO 0.48 2.86 1.36 -0.56 0.00 0.00 0.00 173.10 177.24 2dm0 h PRO 122 N 8.96 0.41 -3.58 2.90 0.13 -2.01 -3.37 132.00 135.44 2dm0 h PRO 122 Ca -0.37 -0.21 -0.79 0.00 -0.87 0.00 0.00 66.00 63.75 2dm0 h PRO 122 Cb 1.17 0.01 -0.28 0.00 0.13 0.00 0.00 31.00 32.02 2dm0 h PRO 122 CO 0.95 0.78 0.37 0.45 -0.23 0.00 0.00 178.00 180.31 2dm0 s SER 123 N -6.19 7.16 -0.23 1.44 0.15 -1.26 -5.02 113.70 109.76 2dm0 s SER 123 Ca -0.14 -3.48 -0.30 0.00 0.70 0.00 0.00 55.95 52.72 2dm0 s SER 123 Cb 0.06 -2.19 -0.07 0.00 -1.71 0.00 0.00 66.02 62.10 2dm0 s SER 123 CO 0.76 -0.32 2.18 -1.20 1.20 0.00 0.00 173.24 175.86 2dm0 n SER 124 N 2.85 3.04 0.00 5.45 7.64 -1.26 -5.24 113.62 126.10 2dm0 n SER 124 Ca 0.22 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.46 2dm0 n SER 124 Cb 0.40 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.13 2dm0 n SER 124 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64