#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dmo s ASP 2 N 0.00 -0.73 1.02 0.00 2.15 -1.26 -5.15 116.67 112.70 1dmo s ASP 2 Ca 0.00 1.36 -0.17 0.00 0.43 0.00 0.00 52.55 54.18 1dmo s ASP 2 Cb 0.00 1.35 0.02 0.00 -0.30 0.00 0.00 42.92 43.99 1dmo s ASP 2 CO 0.00 -0.23 -0.06 0.00 -0.17 0.00 0.00 175.17 174.71 1dmo n GLN 3 N 3.04 -0.70 -2.60 4.34 1.13 -1.26 -4.48 117.38 116.85 1dmo n GLN 3 Ca -0.15 -0.18 -0.05 0.00 -1.94 0.00 0.00 57.00 54.67 1dmo n GLN 3 Cb 0.56 -1.62 -0.04 0.00 0.11 0.00 0.00 30.24 29.24 1dmo n GLN 3 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1dmo n LEU 4 N -0.45 -6.15 -4.57 1.08 4.77 -1.26 -4.94 117.00 105.48 1dmo n LEU 4 Ca 0.03 2.35 -0.29 0.00 -0.03 0.00 0.00 56.01 58.07 1dmo n LEU 4 Cb 0.59 -3.25 0.22 0.00 -2.33 0.00 0.00 43.42 38.64 1dmo n LEU 4 CO 0.51 -3.98 0.58 0.42 -1.33 0.00 0.00 177.39 173.59 1dmo s THR 5 N -0.64 2.11 0.20 -5.08 -4.23 -1.26 -4.84 115.64 101.91 1dmo s THR 5 Ca -0.27 0.04 -0.09 0.00 -1.18 0.00 0.00 61.69 60.19 1dmo s THR 5 Cb 0.02 -2.20 0.13 0.00 1.34 0.00 0.00 72.50 71.79 1dmo s THR 5 CO 0.72 -0.05 1.77 1.05 -0.54 0.00 0.00 174.62 177.57 1dmo h GLU 6 N -2.29 1.09 0.40 3.99 4.11 -1.93 -2.76 114.58 117.19 1dmo h GLU 6 Ca -0.56 -0.19 -0.01 0.00 0.07 0.00 0.00 59.36 58.67 1dmo h GLU 6 Cb 1.32 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 1dmo h GLU 6 CO 0.50 0.88 -0.35 1.49 0.07 0.00 0.00 179.01 181.61 1dmo h GLU 7 N 1.05 -0.73 -0.90 1.06 4.57 -1.98 0.33 114.58 117.98 1dmo h GLU 7 Ca 0.25 0.05 0.23 0.00 -1.18 0.00 0.00 59.36 58.71 1dmo h GLU 7 Cb 0.19 0.17 -0.13 0.00 -0.16 0.00 0.00 28.75 28.81 1dmo h GLU 7 CO -0.02 -0.49 0.36 1.96 -1.18 0.00 0.00 179.01 179.64 1dmo h GLN 8 N -0.76 0.32 0.00 1.92 4.20 -1.90 1.53 115.11 120.43 1dmo h GLN 8 Ca -0.03 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 1dmo h GLN 8 Cb 0.67 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 1dmo h GLN 8 CO -0.03 0.21 -0.38 0.82 -0.67 0.00 0.00 178.83 178.78 1dmo h ILE 9 N 0.33 1.09 -0.29 2.54 2.04 -1.00 -2.38 117.51 119.83 1dmo h ILE 9 Ca 0.57 -1.39 -0.10 0.00 1.00 0.00 0.00 64.86 64.94 1dmo h ILE 9 Cb 1.13 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 39.00 1dmo h ILE 9 CO -0.57 0.37 -0.21 0.00 0.00 0.00 0.00 178.15 177.74 1dmo h ALA 10 N 1.62 0.42 -0.48 1.87 0.00 0.60 -1.22 119.26 122.07 1dmo h ALA 10 Ca -0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1dmo h ALA 10 Cb 0.76 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1dmo h ALA 10 CO 0.05 0.37 0.05 0.93 0.00 0.00 0.00 179.25 180.65 1dmo h GLU 11 N 0.40 0.75 0.15 0.00 5.08 -0.78 -2.26 114.58 117.92 1dmo h GLU 11 Ca 0.06 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1dmo h GLU 11 Cb 0.76 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1dmo h GLU 11 CO 0.06 0.73 -0.07 0.74 -1.00 0.00 0.00 179.01 179.46 1dmo h PHE 12 N 0.72 -0.19 -1.00 4.33 -1.00 -1.27 -2.66 116.94 115.86 1dmo h PHE 12 Ca 0.15 -0.00 0.22 0.00 2.81 0.00 0.00 57.97 61.14 1dmo h PHE 12 Cb 0.36 0.06 -0.10 0.00 3.61 0.00 0.00 35.95 39.88 1dmo h PHE 12 CO 0.02 0.10 0.62 -0.22 -1.61 0.00 0.00 178.31 177.22 1dmo h LYS 13 N -0.48 0.59 0.52 1.51 3.64 -1.02 0.77 116.57 122.10 1dmo h LYS 13 Ca -0.02 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1dmo h LYS 13 Cb 0.38 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1dmo h LYS 13 CO 0.03 0.39 -0.45 1.49 -2.27 0.00 0.00 179.45 178.64 1dmo h GLU 14 N 0.61 -0.92 0.09 1.90 4.81 -1.08 0.52 114.58 120.51 1dmo h GLU 14 Ca 0.58 0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.89 1dmo h GLU 14 Cb 1.11 0.21 -0.05 0.00 0.63 0.00 0.00 28.75 30.66 1dmo h GLU 14 CO -0.35 -0.61 -0.43 0.00 -0.73 0.00 0.00 179.01 176.88 1dmo h ALA 15 N -1.07 -0.75 -1.00 2.92 0.00 -0.92 0.81 119.26 119.25 1dmo h ALA 15 Ca -0.07 -0.07 0.29 0.00 0.00 0.00 0.00 54.91 55.06 1dmo h ALA 15 Cb 0.81 0.73 -0.04 0.00 0.00 0.00 0.00 17.79 19.29 1dmo h ALA 15 CO -0.02 -0.99 0.72 0.35 0.00 0.00 0.00 179.25 179.31 1dmo h PHE 16 N -0.65 0.01 0.00 0.00 3.57 -0.71 0.51 116.94 119.67 1dmo h PHE 16 Ca 0.02 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 1dmo h PHE 16 Cb 0.68 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1dmo h PHE 16 CO -0.39 0.00 -1.12 0.43 -2.23 0.00 0.00 178.31 175.01 1dmo n SER 17 N -4.24 0.83 0.21 0.41 7.64 0.18 -3.90 113.62 114.74 1dmo n SER 17 Ca 0.21 0.33 0.09 0.00 1.01 0.00 0.00 58.87 60.51 1dmo n SER 17 Cb 1.06 0.44 0.36 0.00 -1.01 0.00 0.00 64.21 65.06 1dmo n SER 17 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1dmo h LEU 18 N 0.00 0.00 -3.49 -3.43 3.38 0.56 -2.95 115.31 109.38 1dmo h LEU 18 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1dmo h LEU 18 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1dmo h LEU 18 CO 0.01 0.25 0.00 0.49 0.09 0.00 0.00 178.44 179.28 1dmo n PHE 19 N -3.33 2.03 -2.09 1.13 3.72 -0.89 -4.96 117.46 113.07 1dmo n PHE 19 Ca 0.01 -0.71 -0.42 0.00 -0.05 0.00 0.00 57.45 56.28 1dmo n PHE 19 Cb 0.49 -0.50 -0.03 0.00 -0.94 0.00 0.00 39.48 38.50 1dmo n PHE 19 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1dmo s ASP 20 N -0.76 6.75 0.00 4.37 2.15 -1.12 -4.75 116.67 123.31 1dmo s ASP 20 Ca 0.53 2.42 0.00 0.00 0.43 0.00 0.00 52.55 55.94 1dmo s ASP 20 Cb 0.41 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.44 1dmo s ASP 20 CO 0.16 -0.71 0.00 1.17 -0.17 0.00 0.00 175.17 175.62 1dmo n LYS 21 N 3.92 0.71 -0.04 4.34 4.81 -1.26 -4.93 118.16 125.70 1dmo n LYS 21 Ca 0.12 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.48 1dmo n LYS 21 Cb 0.41 -0.07 -0.14 0.00 0.02 0.00 0.00 35.03 35.25 1dmo n LYS 21 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1dmo n ASP 22 N -0.08 0.65 0.00 3.14 5.68 -1.26 -4.99 116.55 119.69 1dmo n ASP 22 Ca 0.00 0.31 0.00 0.00 -0.50 0.00 0.00 54.79 54.60 1dmo n ASP 22 Cb 0.00 0.23 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 1dmo n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dmo n GLY 23 N 1.59 2.95 0.99 6.12 0.00 -1.26 -5.09 105.19 110.49 1dmo n GLY 23 Ca -0.20 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1dmo n GLY 23 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dmo n ASP 24 N 0.00 0.31 0.00 1.61 9.92 -1.26 -4.95 116.55 122.18 1dmo n ASP 24 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1dmo n ASP 24 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1dmo n ASP 24 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1dmo n GLY 25 N 2.92 0.00 3.76 0.44 0.00 -1.26 -4.78 105.19 106.26 1dmo n GLY 25 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1dmo n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dmo s THR 26 N -0.78 3.18 0.25 2.61 -4.23 -1.26 -4.40 115.64 110.99 1dmo s THR 26 Ca 0.00 0.38 0.01 0.00 -1.18 0.00 0.00 61.69 60.90 1dmo s THR 26 Cb 0.00 -2.91 -0.05 0.00 1.34 0.00 0.00 72.50 70.88 1dmo s THR 26 CO 0.00 -0.50 0.10 0.27 -0.54 0.00 0.00 174.62 173.95 1dmo s ILE 27 N -2.94 0.45 0.01 2.99 -4.36 -0.32 -4.44 121.20 112.60 1dmo s ILE 27 Ca 0.61 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 59.01 1dmo s ILE 27 Cb -0.17 -2.60 -0.04 0.00 1.25 0.00 0.00 42.46 40.90 1dmo s ILE 27 CO 0.56 -0.01 0.06 0.42 0.24 0.00 0.00 174.94 176.21 1dmo s THR 28 N -3.83 4.55 0.50 8.37 -4.23 -1.26 -0.18 115.64 119.55 1dmo s THR 28 Ca 0.38 -0.53 0.45 0.00 -1.18 0.00 0.00 61.69 60.81 1dmo s THR 28 Cb 0.08 -3.09 0.66 0.00 1.34 0.00 0.00 72.50 71.49 1dmo s THR 28 CO 0.13 0.31 1.43 0.35 -0.54 0.00 0.00 174.62 176.30 1dmo n THR 29 N 1.10 -0.02 -0.14 3.99 -2.24 -1.26 0.13 114.28 115.83 1dmo n THR 29 Ca -0.13 1.39 -0.11 0.00 -2.27 0.00 0.00 64.05 62.94 1dmo n THR 29 Cb 0.52 -2.32 -0.01 0.00 -2.10 0.00 0.00 70.33 66.43 1dmo n THR 29 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1dmo h LYS 30 N 0.00 0.76 0.00 -0.78 2.10 -1.93 -2.63 116.57 114.09 1dmo h LYS 30 Ca 0.86 -0.27 0.00 0.00 -2.00 0.00 0.00 60.65 59.25 1dmo h LYS 30 Cb 3.40 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 34.68 1dmo h LYS 30 CO -0.05 0.86 0.00 0.39 -2.00 0.00 0.00 179.45 178.66 1dmo n GLU 31 N -4.38 0.06 -0.00 0.07 -0.58 0.34 -4.08 120.64 112.07 1dmo n GLU 31 Ca -0.01 0.07 -0.04 0.00 -0.42 0.00 0.00 57.16 56.76 1dmo n GLU 31 Cb 0.33 -1.57 -0.02 0.00 -0.57 0.00 0.00 31.44 29.60 1dmo n GLU 31 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1dmo h LEU 32 N 0.00 -0.43 -1.21 -4.62 5.85 -0.99 -0.38 115.31 113.53 1dmo h LEU 32 Ca 0.00 0.05 0.33 0.00 0.84 0.00 0.00 57.88 59.10 1dmo h LEU 32 Cb 0.53 0.17 -0.13 0.00 0.37 0.00 0.00 40.66 41.61 1dmo h LEU 32 CO 0.00 -0.12 0.67 1.23 -0.34 0.00 0.00 178.44 179.88 1dmo h GLY 33 N -0.15 1.61 1.00 3.75 0.00 -1.72 0.38 103.07 107.94 1dmo h GLY 33 Ca 0.01 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 1dmo h GLY 33 CO -0.11 -0.34 0.19 -0.84 0.00 0.00 0.00 176.54 175.44 1dmo h THR 34 N 0.31 1.24 0.77 4.70 2.02 -1.35 -2.31 112.91 118.28 1dmo h THR 34 Ca 0.71 -0.81 -0.04 0.00 0.77 0.00 0.00 66.41 67.04 1dmo h THR 34 Cb 1.81 0.65 0.01 0.00 -1.74 0.00 0.00 68.15 68.87 1dmo h THR 34 CO -0.46 0.31 -0.37 0.58 0.37 0.00 0.00 175.52 175.95 1dmo h VAL 35 N 0.84 0.00 -1.09 3.16 2.07 0.13 -2.62 116.25 118.74 1dmo h VAL 35 Ca 0.19 -0.09 0.39 0.00 0.82 0.00 0.00 66.70 68.02 1dmo h VAL 35 Cb 0.28 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.89 1dmo h VAL 35 CO -0.01 0.00 0.63 0.24 0.02 0.00 0.00 177.57 178.46 1dmo h MET 36 N -1.12 0.12 -0.17 1.57 2.86 -1.39 0.69 114.93 117.49 1dmo h MET 36 Ca -0.11 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1dmo h MET 36 Cb 0.79 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 1dmo h MET 36 CO 0.17 0.08 0.08 0.00 1.06 0.00 0.00 176.91 178.30 1dmo h ARG 37 N 0.12 0.24 -0.00 1.72 3.08 -1.10 0.16 114.38 118.60 1dmo h ARG 37 Ca 0.81 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.83 1dmo h ARG 37 Cb 2.17 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 32.17 1dmo h ARG 37 CO -0.63 0.27 -0.01 -1.13 -1.07 0.00 0.00 179.97 177.40 1dmo n SER 38 N -4.90 0.02 0.01 7.04 3.41 0.19 -3.00 113.62 116.38 1dmo n SER 38 Ca -0.04 -0.19 0.11 0.00 -0.26 0.00 0.00 58.87 58.49 1dmo n SER 38 Cb 0.09 -0.27 -0.12 0.00 -0.26 0.00 0.00 64.21 63.65 1dmo n SER 38 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1dmo n LEU 39 N -1.26 0.33 0.00 1.04 0.00 0.16 -4.96 117.00 112.31 1dmo n LEU 39 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 56.01 56.09 1dmo n LEU 39 Cb 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 43.42 43.64 1dmo n LEU 39 CO 0.23 0.04 0.00 0.61 0.00 0.00 0.00 177.39 178.27 1dmo n GLY 40 N 1.31 -1.08 3.39 -3.96 0.00 0.48 -5.02 105.19 100.32 1dmo n GLY 40 Ca -0.01 0.58 -0.15 0.00 0.00 0.00 0.00 46.02 46.44 1dmo n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1dmo s GLN 41 N 0.37 1.71 -0.13 1.61 -0.21 -1.22 -4.92 119.66 116.87 1dmo s GLN 41 Ca 0.00 -1.76 -0.31 0.00 0.02 0.00 0.00 55.36 53.31 1dmo s GLN 41 Cb 0.00 0.38 -0.09 0.00 1.00 0.00 0.00 33.01 34.31 1dmo s GLN 41 CO 0.00 -0.67 2.07 0.27 -2.12 0.00 0.00 175.29 174.84 1dmo n ASN 42 N -1.16 3.42 -2.75 5.90 6.94 -1.26 -4.21 115.26 122.14 1dmo n ASN 42 Ca 0.03 0.61 0.00 0.00 -0.02 0.00 0.00 54.58 55.20 1dmo n ASN 42 Cb 0.63 -1.47 0.00 0.00 -2.36 0.00 0.00 39.78 36.58 1dmo n ASN 42 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1dmo n PRO 43 N 7.83 0.20 -3.66 -0.53 -0.04 -1.26 -5.01 135.00 132.53 1dmo n PRO 43 Ca 0.27 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.34 1dmo n PRO 43 Cb 0.37 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.71 1dmo n PRO 43 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1dmo s THR 44 N -0.52 4.50 0.56 0.52 2.01 -1.26 -4.94 115.64 116.51 1dmo s THR 44 Ca 0.00 -0.55 0.31 0.00 0.31 0.00 0.00 61.69 61.76 1dmo s THR 44 Cb 0.00 -3.34 0.45 0.00 0.01 0.00 0.00 72.50 69.62 1dmo s THR 44 CO 0.00 0.01 1.84 -0.08 -0.69 0.00 0.00 174.62 175.70 1dmo h GLU 45 N 8.35 0.00 0.02 4.92 4.57 -1.98 0.32 114.58 130.78 1dmo h GLU 45 Ca -0.31 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 57.87 1dmo h GLU 45 Cb 1.13 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 1dmo h GLU 45 CO 0.62 0.00 -0.01 0.00 -1.18 0.00 0.00 179.01 178.44 1dmo h ALA 46 N 1.42 -0.09 -0.83 2.92 0.00 -1.99 -2.72 119.26 117.97 1dmo h ALA 46 Ca 0.38 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.47 1dmo h ALA 46 Cb 1.70 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 19.38 1dmo h ALA 46 CO -0.00 -0.09 0.30 1.49 0.00 0.00 0.00 179.25 180.95 1dmo h GLU 47 N -0.28 0.35 -0.42 0.00 4.81 -1.90 0.43 114.58 117.57 1dmo h GLU 47 Ca -0.00 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.29 1dmo h GLU 47 Cb 0.02 -0.08 -0.09 0.00 0.63 0.00 0.00 28.75 29.23 1dmo h GLU 47 CO 0.01 0.23 -0.23 1.25 -0.73 0.00 0.00 179.01 179.54 1dmo h LEU 48 N 0.36 -0.78 -1.53 1.64 5.85 -0.49 0.47 115.31 120.83 1dmo h LEU 48 Ca 0.49 0.17 -0.02 0.00 0.84 0.00 0.00 57.88 59.36 1dmo h LEU 48 Cb 0.87 0.41 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 1dmo h LEU 48 CO -0.51 -0.25 0.09 -0.61 -0.34 0.00 0.00 178.44 176.81 1dmo h GLN 49 N -0.15 0.39 -0.14 1.25 4.15 0.06 -0.92 115.11 119.75 1dmo h GLN 49 Ca 0.20 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.55 1dmo h GLN 49 Cb 0.46 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 1dmo h GLN 49 CO -0.51 0.35 0.01 0.22 -1.93 0.00 0.00 178.83 176.97 1dmo h ASP 50 N 0.39 0.18 0.11 -0.69 1.82 0.23 -1.81 116.42 116.65 1dmo h ASP 50 Ca 0.10 -0.02 -0.19 0.00 -0.39 0.00 0.00 57.03 56.53 1dmo h ASP 50 Cb 0.12 -0.05 0.02 0.00 0.68 0.00 0.00 39.33 40.11 1dmo h ASP 50 CO -0.01 0.21 -0.82 0.24 -1.61 0.00 0.00 179.24 177.26 1dmo h MET 51 N 0.20 0.36 -0.60 0.28 2.86 0.17 -3.31 114.93 114.89 1dmo h MET 51 Ca 0.05 -0.53 0.07 0.00 -2.06 0.00 0.00 59.70 57.23 1dmo h MET 51 Cb 0.13 0.19 -0.06 0.00 0.06 0.00 0.00 31.60 31.91 1dmo h MET 51 CO 0.00 1.23 0.27 0.82 1.06 0.00 0.00 176.91 180.29 1dmo h ILE 52 N -0.24 0.86 0.00 -1.22 5.03 -0.99 0.20 117.51 121.15 1dmo h ILE 52 Ca -0.13 -0.17 0.00 0.00 -0.12 0.00 0.00 64.86 64.44 1dmo h ILE 52 Cb 1.60 0.32 0.00 0.00 -3.03 0.00 0.00 36.82 35.71 1dmo h ILE 52 CO 0.16 0.09 0.19 0.78 -0.68 0.00 0.00 178.15 178.68 1dmo h ASN 53 N 0.49 0.00 0.00 1.72 -0.26 -1.43 0.97 115.58 117.07 1dmo h ASN 53 Ca 0.29 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.90 1dmo h ASN 53 Cb 0.28 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.52 1dmo h ASN 53 CO -0.24 0.00 -0.87 -0.08 -1.06 0.00 0.00 177.43 175.18 1dmo h GLU 54 N 0.00 0.00 -0.00 0.81 4.81 -0.72 -3.25 114.58 116.22 1dmo h GLU 54 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1dmo h GLU 54 Cb 0.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1dmo h GLU 54 CO 0.00 0.60 -0.01 1.33 -0.73 0.00 0.00 179.01 180.20 1dmo n VAL 55 N -4.52 0.00 -1.88 0.32 0.24 -0.75 -3.37 118.33 108.36 1dmo n VAL 55 Ca -0.21 -0.03 0.02 0.00 -2.04 0.00 0.00 64.34 62.09 1dmo n VAL 55 Cb 0.49 -0.38 0.14 0.00 -1.47 0.00 0.00 33.84 32.63 1dmo n VAL 55 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1dmo n ASP 56 N -0.92 1.86 0.00 -1.34 -0.08 0.33 -3.87 116.55 112.53 1dmo n ASP 56 Ca 0.22 -3.40 0.00 0.00 -1.51 0.00 0.00 54.79 50.10 1dmo n ASP 56 Cb 0.16 -0.46 0.00 0.00 2.34 0.00 0.00 41.12 43.16 1dmo n ASP 56 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1dmo n ALA 57 N -0.70 0.00 -2.07 -1.67 0.00 -1.22 -4.83 120.51 110.02 1dmo n ALA 57 Ca 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 53.44 53.60 1dmo n ALA 57 Cb 0.82 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.26 1dmo n ALA 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1dmo n ASP 58 N -0.89 -0.10 -0.07 0.00 9.92 -1.26 -4.96 116.55 119.19 1dmo n ASP 58 Ca 0.00 -1.61 -0.05 0.00 -0.53 0.00 0.00 54.79 52.60 1dmo n ASP 58 Cb 0.00 -0.01 -0.02 0.00 -0.64 0.00 0.00 41.12 40.45 1dmo n ASP 58 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1dmo h GLY 59 N 0.14 0.00 0.00 0.44 0.00 -1.89 -3.48 103.07 98.28 1dmo h GLY 59 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1dmo h GLY 59 CO -0.06 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.18 1dmo n ASN 60 N -4.63 -0.65 0.00 0.19 5.03 -1.26 -5.08 115.26 108.86 1dmo n ASN 60 Ca -0.07 0.49 0.00 0.00 0.87 0.00 0.00 54.58 55.86 1dmo n ASN 60 Cb 0.25 0.80 0.00 0.00 -1.02 0.00 0.00 39.78 39.81 1dmo n ASN 60 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1dmo n GLY 61 N 1.10 3.71 3.97 7.41 0.00 -1.25 -5.07 105.19 115.06 1dmo n GLY 61 Ca 0.00 -0.86 -0.21 0.00 0.00 0.00 0.00 46.02 44.95 1dmo n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dmo s THR 62 N 0.00 2.65 -0.04 2.61 -4.23 -1.26 -4.27 115.64 111.10 1dmo s THR 62 Ca 0.00 -0.67 0.06 0.00 -1.18 0.00 0.00 61.69 59.91 1dmo s THR 62 Cb 0.00 -2.98 -0.02 0.00 1.34 0.00 0.00 72.50 70.84 1dmo s THR 62 CO 0.00 0.00 -0.24 -0.63 -0.54 0.00 0.00 174.62 173.21 1dmo s ILE 63 N -2.77 2.21 0.42 2.99 1.01 0.75 -4.90 121.20 120.91 1dmo s ILE 63 Ca 0.58 -1.03 0.08 0.00 0.00 0.00 0.00 60.65 60.28 1dmo s ILE 63 Cb -0.10 -1.79 0.01 0.00 0.01 0.00 0.00 42.46 40.58 1dmo s ILE 63 CO 0.38 0.58 0.56 -1.81 0.00 0.00 0.00 174.94 174.65 1dmo s ASP 64 N -0.41 5.60 0.19 3.58 1.11 -1.26 -1.17 116.67 124.31 1dmo s ASP 64 Ca 0.04 -0.46 -0.12 0.00 0.18 0.00 0.00 52.55 52.19 1dmo s ASP 64 Cb -0.12 -0.62 0.17 0.00 1.07 0.00 0.00 42.92 43.42 1dmo s ASP 64 CO 0.01 -0.77 1.76 0.15 1.18 0.00 0.00 175.17 177.50 1dmo h PHE 65 N 0.65 0.39 0.40 4.23 3.57 -1.97 -1.45 116.94 122.77 1dmo h PHE 65 Ca -0.40 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.12 1dmo h PHE 65 Cb 1.28 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 1dmo h PHE 65 CO 0.41 0.16 -0.32 -1.00 -2.23 0.00 0.00 178.31 175.33 1dmo h PRO 66 N 0.42 -0.69 -0.99 6.41 0.13 -1.99 0.21 132.00 135.50 1dmo h PRO 66 Ca 0.24 0.05 0.21 0.00 -0.87 0.00 0.00 66.00 65.63 1dmo h PRO 66 Cb 0.22 0.16 -0.11 0.00 0.13 0.00 0.00 31.00 31.39 1dmo h PRO 66 CO -0.21 -0.46 0.58 0.93 -0.23 0.00 0.00 178.00 178.61 1dmo h GLU 67 N -0.72 0.65 -0.64 0.86 3.07 -1.90 0.57 114.58 116.46 1dmo h GLU 67 Ca -0.03 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 58.74 1dmo h GLU 67 Cb 0.62 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 28.36 1dmo h GLU 67 CO -0.01 0.43 0.20 0.35 -1.40 0.00 0.00 179.01 178.57 1dmo h PHE 68 N 0.67 1.01 -0.56 4.33 3.57 -0.20 -1.96 116.94 123.80 1dmo h PHE 68 Ca 0.60 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.99 1dmo h PHE 68 Cb 1.02 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.43 1dmo h PHE 68 CO -0.02 0.81 0.29 -0.07 -2.23 0.00 0.00 178.31 177.09 1dmo h LEU 69 N 0.95 0.69 0.29 0.59 3.38 0.21 0.64 115.31 122.06 1dmo h LEU 69 Ca 0.21 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1dmo h LEU 69 Cb 0.28 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1dmo h LEU 69 CO -0.01 0.58 -0.14 0.74 0.09 0.00 0.00 178.44 179.70 1dmo h THR 70 N 0.78 0.73 0.00 0.22 2.02 -0.57 0.86 112.91 116.95 1dmo h THR 70 Ca 0.20 -0.57 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 1dmo h THR 70 Cb 0.05 1.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1dmo h THR 70 CO -0.03 0.11 -0.14 0.00 0.37 0.00 0.00 175.52 175.83 1dmo h MET 71 N -0.71 0.00 0.00 6.66 -0.00 -1.22 -2.45 114.93 117.22 1dmo h MET 71 Ca -0.04 0.00 -0.22 0.00 -0.00 0.00 0.00 59.70 59.44 1dmo h MET 71 Cb 0.48 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.05 1dmo h MET 71 CO 0.07 0.14 -1.35 1.98 -0.00 0.00 0.00 176.91 177.75 1dmo h MET 72 N 0.00 0.00 0.00 -0.10 -1.53 0.38 -3.31 114.93 110.36 1dmo h MET 72 Ca -0.00 0.00 -0.15 0.00 -3.44 0.00 0.00 59.70 56.11 1dmo h MET 72 Cb 0.77 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.79 1dmo h MET 72 CO 0.02 0.54 -0.71 0.00 0.14 0.00 0.00 176.91 176.90 1dmo h ALA 73 N 1.17 0.73 0.02 0.39 0.00 0.94 -3.26 119.26 119.26 1dmo h ALA 73 Ca -0.16 -0.64 0.02 0.00 0.00 0.00 0.00 54.91 54.13 1dmo h ALA 73 Cb 1.78 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.42 1dmo h ALA 73 CO 0.08 0.89 -0.18 -0.09 0.00 0.00 0.00 179.25 179.94 1dmo h ARG 74 N 0.00 -0.30 0.00 0.00 2.43 -1.53 2.29 114.38 117.27 1dmo h ARG 74 Ca -0.01 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1dmo h ARG 74 Cb 1.33 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.95 1dmo h ARG 74 CO 0.09 -0.20 0.12 1.63 -1.51 0.00 0.00 179.97 180.11 1dmo n LYS 75 N -5.31 0.00 -1.54 0.20 4.76 -1.23 -0.35 118.16 114.69 1dmo n LYS 75 Ca -0.05 0.24 0.01 0.00 -2.87 0.00 0.00 58.31 55.64 1dmo n LYS 75 Cb 0.23 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 31.80 1dmo n LYS 75 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91 1dmo n MET 76 N -1.20 0.21 0.29 1.97 1.56 0.21 -4.85 117.12 115.32 1dmo n MET 76 Ca 0.00 -1.84 0.20 0.00 -0.27 0.00 0.00 57.70 55.78 1dmo n MET 76 Cb 0.12 0.00 1.03 0.00 2.15 0.00 0.00 33.22 36.52 1dmo n MET 76 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 1dmo h LYS 77 N 0.88 0.00 -3.45 2.12 3.64 0.64 -3.22 116.57 117.19 1dmo h LYS 77 Ca -0.32 0.00 -0.71 0.00 -1.27 0.00 0.00 60.65 58.35 1dmo h LYS 77 Cb 1.69 0.00 -0.34 0.00 -0.41 0.00 0.00 32.23 33.17 1dmo h LYS 77 CO -0.01 0.00 -0.16 0.16 -2.27 0.00 0.00 179.45 177.18 1dmo s ASP 78 N -4.97 5.83 1.12 4.20 -4.77 -1.26 -4.97 116.67 111.84 1dmo s ASP 78 Ca -0.04 -3.35 -0.12 0.00 -3.30 0.00 0.00 52.55 45.75 1dmo s ASP 78 Cb 0.11 -1.92 0.18 0.00 -1.09 0.00 0.00 42.92 40.20 1dmo s ASP 78 CO 0.38 -0.28 0.41 1.07 0.70 0.00 0.00 175.17 177.45 1dmo n THR 79 N 2.86 0.00 -2.39 2.11 5.66 -1.22 -4.73 114.28 116.57 1dmo n THR 79 Ca 0.16 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.79 1dmo n THR 79 Cb 0.38 -0.47 -0.03 0.00 -1.55 0.00 0.00 70.33 68.67 1dmo n THR 79 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1dmo s ASP 80 N -2.36 6.14 0.00 1.09 1.01 -1.26 -4.72 116.67 116.57 1dmo s ASP 80 Ca 0.32 -1.98 0.10 0.00 0.71 0.00 0.00 52.55 51.70 1dmo s ASP 80 Cb -0.06 -2.58 0.55 0.00 1.01 0.00 0.00 42.92 41.84 1dmo s ASP 80 CO 0.27 -1.89 1.18 -1.54 0.21 0.00 0.00 175.17 173.39 1dmo n SER 81 N 10.62 0.00 -0.17 0.27 3.41 -1.26 -3.02 113.62 123.47 1dmo n SER 81 Ca 0.45 0.01 0.29 0.00 -0.26 0.00 0.00 58.87 59.36 1dmo n SER 81 Cb 0.47 -0.21 0.72 0.00 -0.26 0.00 0.00 64.21 64.93 1dmo n SER 81 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1dmo h GLU 82 N 0.00 0.00 -0.30 4.33 3.07 -1.99 0.15 114.58 119.84 1dmo h GLU 82 Ca 0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 1dmo h GLU 82 Cb 0.07 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 1dmo h GLU 82 CO 0.00 0.00 0.03 1.05 -1.40 0.00 0.00 179.01 178.69 1dmo h GLU 83 N 0.00 0.51 0.00 2.33 4.11 -1.96 0.45 114.58 120.02 1dmo h GLU 83 Ca 0.42 -0.15 -0.02 0.00 0.07 0.00 0.00 59.36 59.68 1dmo h GLU 83 Cb 1.78 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.98 1dmo h GLU 83 CO -0.00 0.63 -0.11 1.49 0.07 0.00 0.00 179.01 181.08 1dmo h GLU 84 N 0.31 0.00 0.06 1.06 4.57 -0.98 -2.72 114.58 116.88 1dmo h GLU 84 Ca 0.09 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1dmo h GLU 84 Cb 0.38 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1dmo h GLU 84 CO 0.01 0.11 -0.03 0.82 -1.18 0.00 0.00 179.01 178.75 1dmo h ILE 85 N 0.00 0.72 -0.91 2.32 2.04 -1.01 -2.23 117.51 118.43 1dmo h ILE 85 Ca -0.00 -1.41 0.26 0.00 1.00 0.00 0.00 64.86 64.70 1dmo h ILE 85 Cb 0.25 1.32 -0.15 0.00 -0.74 0.00 0.00 36.82 37.50 1dmo h ILE 85 CO 0.01 0.23 0.21 0.03 0.00 0.00 0.00 178.15 178.64 1dmo h ARG 86 N -0.98 0.14 -0.36 2.37 3.08 -0.79 0.78 114.38 118.61 1dmo h ARG 86 Ca -0.01 -0.01 -0.17 0.00 0.07 0.00 0.00 59.98 59.87 1dmo h ARG 86 Cb 0.43 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 1dmo h ARG 86 CO 0.01 0.09 -0.42 0.93 -1.07 0.00 0.00 179.97 179.51 1dmo h GLU 87 N 0.14 0.92 -0.78 0.04 3.07 -1.58 -2.35 114.58 114.05 1dmo h GLU 87 Ca 0.59 -0.50 0.23 0.00 -0.50 0.00 0.00 59.36 59.17 1dmo h GLU 87 Cb 1.24 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 29.14 1dmo h GLU 87 CO -0.73 1.15 0.77 0.00 -1.40 0.00 0.00 179.01 178.81 1dmo h ALA 88 N 0.77 2.60 0.00 3.43 0.00 0.12 -0.40 119.26 125.78 1dmo h ALA 88 Ca 0.05 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 1dmo h ALA 88 Cb 1.02 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1dmo h ALA 88 CO 0.10 -1.17 -1.23 0.74 0.00 0.00 0.00 179.25 177.70 1dmo h PHE 89 N 0.00 0.00 -1.66 0.00 0.04 -1.04 -3.36 116.94 110.93 1dmo h PHE 89 Ca 0.37 0.00 0.50 0.00 2.80 0.00 0.00 57.97 61.64 1dmo h PHE 89 Cb 1.90 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 39.96 1dmo h PHE 89 CO 0.00 1.41 1.17 -0.09 -0.60 0.00 0.00 178.31 180.20 1dmo h ARG 90 N -1.00 0.02 -0.70 1.51 1.12 -0.57 0.52 114.38 115.28 1dmo h ARG 90 Ca -0.33 -0.00 0.12 0.00 -1.11 0.00 0.00 59.98 58.66 1dmo h ARG 90 Cb 1.26 -0.01 -0.09 0.00 -0.01 0.00 0.00 29.97 31.13 1dmo h ARG 90 CO -0.20 0.02 0.26 0.28 -3.11 0.00 0.00 179.97 177.22 1dmo h VAL 91 N 0.02 0.70 -0.69 0.20 2.07 -1.54 0.70 116.25 117.71 1dmo h VAL 91 Ca 0.85 -0.15 -0.36 0.00 0.82 0.00 0.00 66.70 67.86 1dmo h VAL 91 Cb 3.19 0.23 -0.21 0.00 -1.52 0.00 0.00 31.29 32.98 1dmo h VAL 91 CO -0.13 0.08 0.46 0.49 0.02 0.00 0.00 177.57 178.49 1dmo n PHE 92 N -5.01 2.14 -2.82 1.57 3.01 0.18 -4.61 117.46 111.93 1dmo n PHE 92 Ca 0.12 -1.48 -0.37 0.00 1.01 0.00 0.00 57.45 56.73 1dmo n PHE 92 Cb 0.36 -0.75 -0.00 0.00 -0.01 0.00 0.00 39.48 39.07 1dmo n PHE 92 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1dmo n ASP 93 N -0.62 6.35 -0.45 4.37 2.03 0.24 -4.67 116.55 123.80 1dmo n ASP 93 Ca 0.42 -3.63 0.12 0.00 0.52 0.00 0.00 54.79 52.22 1dmo n ASP 93 Cb 1.28 -1.02 0.12 0.00 -0.72 0.00 0.00 41.12 40.78 1dmo n ASP 93 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1dmo n LYS 94 N 0.19 1.19 -2.72 -0.67 5.02 -1.26 -4.65 118.16 115.26 1dmo n LYS 94 Ca 0.39 -0.91 -0.06 0.00 -2.02 0.00 0.00 58.31 55.70 1dmo n LYS 94 Cb 0.31 -1.48 0.06 0.00 -0.02 0.00 0.00 35.03 33.90 1dmo n LYS 94 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1dmo n ASP 95 N -0.11 -2.32 -3.15 4.39 2.03 -1.26 -5.10 116.55 111.02 1dmo n ASP 95 Ca 0.11 -2.69 0.05 0.00 0.52 0.00 0.00 54.79 52.78 1dmo n ASP 95 Cb 0.44 1.40 -0.01 0.00 -0.72 0.00 0.00 41.12 42.23 1dmo n ASP 95 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1dmo s GLY 96 N -1.01 -0.64 0.55 0.27 0.00 -1.26 -4.95 107.32 100.28 1dmo s GLY 96 Ca 0.30 2.36 0.20 0.00 0.00 0.00 0.00 44.72 47.57 1dmo s GLY 96 CO -0.18 3.80 1.12 0.70 0.00 0.00 0.00 173.10 178.54 1dmo n ASN 97 N 5.39 0.00 0.00 1.64 4.13 -1.26 -3.25 115.26 121.91 1dmo n ASN 97 Ca -0.02 0.65 0.00 0.00 1.68 0.00 0.00 54.58 56.89 1dmo n ASN 97 Cb 0.54 -0.20 0.00 0.00 -1.54 0.00 0.00 39.78 38.58 1dmo n ASN 97 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1dmo n GLY 98 N -1.59 0.00 3.12 7.41 0.00 -1.26 -5.16 105.19 107.71 1dmo n GLY 98 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 1dmo n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dmo s TYR 99 N 0.00 0.70 0.17 1.61 1.51 -1.20 -3.86 117.35 116.28 1dmo s TYR 99 Ca 0.00 -0.88 0.08 0.00 -1.01 0.00 0.00 57.07 55.26 1dmo s TYR 99 Cb 0.00 -0.44 -0.04 0.00 -0.11 0.00 0.00 41.96 41.37 1dmo s TYR 99 CO 0.00 -0.22 -0.16 0.96 -1.11 0.00 0.00 175.55 175.02 1dmo s ILE 100 N -3.26 1.70 -0.05 2.71 -4.36 0.01 -4.40 121.20 113.54 1dmo s ILE 100 Ca 0.05 -1.99 -0.30 0.00 -0.26 0.00 0.00 60.65 58.16 1dmo s ILE 100 Cb 0.03 -1.86 -0.05 0.00 1.25 0.00 0.00 42.46 41.83 1dmo s ILE 100 CO -0.05 -0.44 1.54 -0.55 0.24 0.00 0.00 174.94 175.68 1dmo s SER 101 N -2.87 6.74 0.62 4.36 0.15 -1.26 -0.20 113.70 121.25 1dmo s SER 101 Ca 0.17 2.14 0.21 0.00 0.70 0.00 0.00 55.95 59.17 1dmo s SER 101 Cb -0.04 -2.54 0.80 0.00 -1.71 0.00 0.00 66.02 62.54 1dmo s SER 101 CO 0.06 -0.86 1.33 0.00 1.20 0.00 0.00 173.24 174.97 1dmo h ALA 102 N 8.91 2.59 0.43 5.45 0.00 -1.91 0.33 119.26 135.06 1dmo h ALA 102 Ca -0.37 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1dmo h ALA 102 Cb 1.17 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1dmo h ALA 102 CO 0.95 -1.40 -0.21 0.00 0.00 0.00 0.00 179.25 178.59 1dmo h ALA 103 N 0.55 -0.58 -0.50 0.00 0.00 -1.92 -2.35 119.26 114.46 1dmo h ALA 103 Ca 0.32 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 55.24 1dmo h ALA 103 Cb 2.42 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 20.41 1dmo h ALA 103 CO -0.00 -0.54 0.35 0.93 0.00 0.00 0.00 179.25 179.99 1dmo h GLU 104 N -1.15 0.09 0.27 0.00 4.39 -0.79 -1.12 114.58 116.26 1dmo h GLU 104 Ca -0.06 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1dmo h GLU 104 Cb 0.44 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1dmo h GLU 104 CO 0.10 0.06 -0.13 1.25 -1.16 0.00 0.00 179.01 179.13 1dmo h LEU 105 N 0.09 -0.30 -1.37 1.33 6.46 -1.08 -1.28 115.31 119.16 1dmo h LEU 105 Ca 0.24 -0.04 0.28 0.00 -0.12 0.00 0.00 57.88 58.23 1dmo h LEU 105 Cb 0.82 0.08 -0.10 0.00 -0.73 0.00 0.00 40.66 40.73 1dmo h LEU 105 CO -0.02 -0.16 0.68 -0.09 -0.62 0.00 0.00 178.44 178.23 1dmo h ARG 106 N -0.43 0.36 -0.65 1.25 2.43 -0.65 1.55 114.38 118.25 1dmo h ARG 106 Ca -0.04 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 1dmo h ARG 106 Cb 0.32 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 1dmo h ARG 106 CO 0.06 0.24 0.28 1.25 -1.51 0.00 0.00 179.97 180.29 1dmo h HIS 107 N 0.37 0.93 -0.11 2.20 2.76 -1.02 0.16 115.15 120.45 1dmo h HIS 107 Ca 0.61 -0.05 -0.07 0.00 -2.20 0.00 0.00 60.37 58.66 1dmo h HIS 107 Cb 1.57 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 30.23 1dmo h HIS 107 CO -0.00 0.71 -0.25 0.28 -1.30 0.00 0.00 177.93 177.36 1dmo h VAL 108 N 0.92 1.23 -0.01 5.26 2.07 0.29 -1.74 116.25 124.28 1dmo h VAL 108 Ca 0.22 -1.08 -0.22 0.00 0.82 0.00 0.00 66.70 66.44 1dmo h VAL 108 Cb 0.15 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1dmo h VAL 108 CO -0.02 0.32 -0.92 0.24 0.02 0.00 0.00 177.57 177.21 1dmo h MET 109 N 0.18 0.42 -0.16 1.57 2.07 -0.10 -1.69 114.93 117.22 1dmo h MET 109 Ca 0.03 -0.44 -0.01 0.00 -2.07 0.00 0.00 59.70 57.21 1dmo h MET 109 Cb 0.55 0.12 -0.01 0.00 -1.87 0.00 0.00 31.60 30.39 1dmo h MET 109 CO 0.04 1.10 0.07 1.15 1.07 0.00 0.00 176.91 180.34 1dmo h THR 110 N 0.24 1.14 -0.02 2.22 2.02 -0.55 2.06 112.91 120.02 1dmo h THR 110 Ca -0.07 -0.43 -0.00 0.00 0.77 0.00 0.00 66.41 66.68 1dmo h THR 110 Cb 1.55 1.12 -0.00 0.00 -1.74 0.00 0.00 68.15 69.08 1dmo h THR 110 CO 0.16 0.14 0.01 -1.13 0.37 0.00 0.00 175.52 175.06 1dmo h ASN 111 N 0.12 0.03 0.00 4.18 -1.24 -1.36 -3.33 115.58 113.98 1dmo h ASN 111 Ca 0.06 -0.18 0.00 0.00 0.71 0.00 0.00 56.30 56.88 1dmo h ASN 111 Cb 0.15 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.19 1dmo h ASN 111 CO -0.01 0.20 0.00 -0.11 -1.29 0.00 0.00 177.43 176.23 1dmo n LEU 112 N -4.98 0.29 -3.77 0.34 7.94 -0.64 -4.85 117.00 111.33 1dmo n LEU 112 Ca -0.07 0.68 -0.23 0.00 -1.11 0.00 0.00 56.01 55.28 1dmo n LEU 112 Cb 0.11 -0.37 -0.04 0.00 0.53 0.00 0.00 43.42 43.65 1dmo n LEU 112 CO 0.33 -0.37 -0.26 0.61 -1.11 0.00 0.00 177.39 176.60 1dmo n GLY 113 N 0.25 -0.21 0.36 -3.96 0.00 0.70 -4.73 105.19 97.59 1dmo n GLY 113 Ca 0.00 0.15 0.15 0.00 0.00 0.00 0.00 46.02 46.32 1dmo n GLY 113 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1dmo h GLU 114 N -0.78 0.65 0.00 1.61 4.81 -1.88 -3.35 114.58 115.63 1dmo h GLU 114 Ca -0.44 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.73 1dmo h GLU 114 Cb 0.92 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 1dmo h GLU 114 CO 0.43 0.43 -0.04 0.36 -0.73 0.00 0.00 179.01 179.46 1dmo n LYS 115 N -4.79 0.00 -3.56 1.92 2.85 -1.26 -5.12 118.16 108.20 1dmo n LYS 115 Ca 0.25 -0.12 -0.36 0.00 -1.05 0.00 0.00 58.31 57.02 1dmo n LYS 115 Cb 0.65 0.12 -0.07 0.00 -0.65 0.00 0.00 35.03 35.09 1dmo n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1dmo s LEU 116 N 0.00 4.26 0.23 -5.58 1.43 -1.26 -5.07 118.68 112.69 1dmo s LEU 116 Ca 0.00 0.51 -0.19 0.00 -1.03 0.00 0.00 54.13 53.43 1dmo s LEU 116 Cb 0.00 -2.36 -0.08 0.00 0.03 0.00 0.00 46.19 43.78 1dmo s LEU 116 CO 0.00 0.12 0.71 0.42 0.23 0.00 0.00 176.35 177.84 1dmo s THR 117 N 0.34 4.61 0.42 5.49 -4.23 -1.26 -4.86 115.64 116.15 1dmo s THR 117 Ca 0.16 1.20 0.24 0.00 -1.18 0.00 0.00 61.69 62.11 1dmo s THR 117 Cb -0.13 -3.81 0.44 0.00 1.34 0.00 0.00 72.50 70.33 1dmo s THR 117 CO 0.04 0.15 1.69 0.44 -0.54 0.00 0.00 174.62 176.40 1dmo h ASP 118 N 3.26 0.34 -0.36 3.99 5.19 -1.98 0.74 116.42 127.60 1dmo h ASP 118 Ca -0.48 0.12 -0.03 0.00 -0.62 0.00 0.00 57.03 56.02 1dmo h ASP 118 Cb 1.19 0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.76 1dmo h ASP 118 CO 0.65 -0.07 0.12 -0.33 -3.12 0.00 0.00 179.24 176.49 1dmo h GLU 119 N 0.22 0.56 0.10 3.56 5.08 -1.99 0.10 114.58 122.22 1dmo h GLU 119 Ca 0.72 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.96 1dmo h GLU 119 Cb 2.07 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.24 1dmo h GLU 119 CO -0.38 0.57 -0.05 1.49 -1.00 0.00 0.00 179.01 179.64 1dmo h GLU 120 N 0.44 -0.13 -0.44 2.33 4.81 0.06 -0.28 114.58 121.37 1dmo h GLU 120 Ca 0.12 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.42 1dmo h GLU 120 Cb 0.24 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1dmo h GLU 120 CO -0.01 0.05 0.29 0.28 -0.73 0.00 0.00 179.01 178.90 1dmo h VAL 121 N -0.29 0.96 -0.03 0.32 2.07 -1.00 0.32 116.25 118.59 1dmo h VAL 121 Ca -0.01 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1dmo h VAL 121 Cb 0.24 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1dmo h VAL 121 CO 0.02 0.06 -0.07 -0.78 0.02 0.00 0.00 177.57 176.82 1dmo h ASP 122 N 0.34 0.11 0.47 0.57 3.58 -0.52 0.63 116.42 121.60 1dmo h ASP 122 Ca 0.19 -0.60 -0.01 0.00 0.42 0.00 0.00 57.03 57.02 1dmo h ASP 122 Cb 0.32 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.34 1dmo h ASP 122 CO -0.04 0.70 -0.07 -0.08 -2.88 0.00 0.00 179.24 176.86 1dmo h GLU 123 N -0.47 0.00 0.11 0.28 4.22 -0.54 -2.45 114.58 115.74 1dmo h GLU 123 Ca -0.00 0.00 -0.27 0.00 0.08 0.00 0.00 59.36 59.17 1dmo h GLU 123 Cb 0.68 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 1dmo h GLU 123 CO 0.02 0.07 -1.39 1.98 -2.18 0.00 0.00 179.01 177.50 1dmo h MET 124 N 0.00 0.24 -0.41 1.92 4.05 -0.86 -3.34 114.93 116.53 1dmo h MET 124 Ca -0.00 -0.41 0.03 0.00 -0.28 0.00 0.00 59.70 59.04 1dmo h MET 124 Cb 0.32 0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.25 1dmo h MET 124 CO 0.01 1.20 0.27 0.82 0.23 0.00 0.00 176.91 179.44 1dmo h ILE 125 N -0.32 1.03 -0.01 1.77 2.04 -0.65 -0.25 117.51 121.13 1dmo h ILE 125 Ca -0.30 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.36 1dmo h ILE 125 Cb 1.75 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 1dmo h ILE 125 CO 0.06 0.08 -0.23 -0.09 0.00 0.00 0.00 178.15 177.96 1dmo h ARG 126 N 0.44 0.02 -0.58 2.37 2.43 -1.57 -1.31 114.38 116.18 1dmo h ARG 126 Ca 0.17 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1dmo h ARG 126 Cb 0.12 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1dmo h ARG 126 CO -0.04 0.25 0.00 0.39 -1.51 0.00 0.00 179.97 179.06 1dmo n GLU 127 N -4.25 2.57 -0.11 0.20 -0.58 -0.15 -4.44 120.64 113.88 1dmo n GLU 127 Ca -0.02 -2.06 0.00 0.00 -0.42 0.00 0.00 57.16 54.66 1dmo n GLU 127 Cb 0.29 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 1dmo n GLU 127 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1dmo n ALA 128 N 1.01 2.53 -2.65 0.62 0.00 -0.49 -4.67 120.51 116.85 1dmo n ALA 128 Ca 0.19 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.45 1dmo n ALA 128 Cb 0.55 -1.10 -0.00 0.00 0.00 0.00 0.00 19.45 18.91 1dmo n ALA 128 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1dmo n ASN 129 N 0.97 -4.73 0.00 0.00 4.05 -1.26 -4.65 115.26 109.64 1dmo n ASN 129 Ca 0.00 -0.02 0.04 0.00 0.45 0.00 0.00 54.58 55.05 1dmo n ASN 129 Cb 0.35 -3.94 0.21 0.00 1.23 0.00 0.00 39.78 37.63 1dmo n ASN 129 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 177.26 173.83 1dmo n ILE 130 N -3.80 0.60 0.25 -1.44 5.41 -1.26 -2.21 119.36 116.90 1dmo n ILE 130 Ca -0.15 0.15 0.08 0.00 1.00 0.00 0.00 62.75 63.83 1dmo n ILE 130 Cb 0.62 -1.02 0.60 0.00 -0.71 0.00 0.00 39.64 39.13 1dmo n ILE 130 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 1dmo h ASP 131 N 0.00 0.00 -0.37 4.38 2.03 -1.89 -2.94 116.42 117.64 1dmo h ASP 131 Ca 0.00 0.00 0.07 0.00 -0.73 0.00 0.00 57.03 56.37 1dmo h ASP 131 Cb 0.05 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 38.47 1dmo h ASP 131 CO 0.00 0.10 -0.42 1.23 -1.03 0.00 0.00 179.24 179.12 1dmo h GLY 132 N 0.32 -0.55 0.00 7.15 0.00 -1.80 -3.45 103.07 104.73 1dmo h GLY 132 Ca -0.00 0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1dmo h GLY 132 CO 0.01 -0.19 0.00 1.34 0.00 0.00 0.00 176.54 177.70 1dmo n ASP 133 N -5.42 0.00 0.00 0.19 2.03 -1.11 -5.04 116.55 107.20 1dmo n ASP 133 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1dmo n ASP 133 Cb 0.35 0.33 0.00 0.00 -0.72 0.00 0.00 41.12 41.09 1dmo n ASP 133 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1dmo n GLY 134 N -1.35 0.00 3.87 0.27 0.00 -1.26 -5.06 105.19 101.66 1dmo n GLY 134 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1dmo n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1dmo s GLN 135 N -0.17 3.85 -0.20 1.61 -0.21 -1.26 -4.11 119.66 119.16 1dmo s GLN 135 Ca 0.00 0.33 -0.08 0.00 0.02 0.00 0.00 55.36 55.63 1dmo s GLN 135 Cb 0.00 -2.73 -0.04 0.00 1.00 0.00 0.00 33.01 31.24 1dmo s GLN 135 CO 0.00 0.37 0.09 0.08 -2.12 0.00 0.00 175.29 173.70 1dmo s VAL 136 N -1.71 4.89 -1.01 1.09 1.01 0.72 -4.81 120.40 120.58 1dmo s VAL 136 Ca 0.44 0.01 -0.24 0.00 0.00 0.00 0.00 61.98 62.19 1dmo s VAL 136 Cb -0.12 -3.23 -0.07 0.00 0.00 0.00 0.00 36.38 32.96 1dmo s VAL 136 CO 0.20 0.42 1.95 0.21 0.00 0.00 0.00 175.10 177.89 1dmo s ASN 137 N 0.64 5.04 0.56 3.32 3.84 -1.26 -0.81 114.94 126.27 1dmo s ASN 137 Ca 0.05 -1.06 0.43 0.00 0.21 0.00 0.00 52.86 52.49 1dmo s ASN 137 Cb -0.13 -2.57 1.61 0.00 -0.55 0.00 0.00 41.25 39.61 1dmo s ASN 137 CO 0.01 -2.94 1.64 0.10 -2.79 0.00 0.00 177.10 173.13 1dmo h TYR 138 N 10.71 0.00 0.13 0.43 -0.00 -1.89 0.66 116.97 127.01 1dmo h TYR 138 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.86 1dmo h TYR 138 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.71 1dmo h TYR 138 CO 1.21 0.00 -0.06 1.05 -0.00 0.00 0.00 178.16 180.36 1dmo h GLU 139 N 0.00 -0.17 0.00 0.10 4.11 -1.85 0.10 114.58 116.88 1dmo h GLU 139 Ca 0.76 0.01 -0.03 0.00 0.07 0.00 0.00 59.36 60.17 1dmo h GLU 139 Cb 3.12 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 32.41 1dmo h GLU 139 CO -0.01 0.13 -0.13 0.93 0.07 0.00 0.00 179.01 180.00 1dmo h GLU 140 N -0.46 0.00 0.00 1.06 4.39 -0.16 -0.27 114.58 119.14 1dmo h GLU 140 Ca -0.02 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.59 1dmo h GLU 140 Cb 0.37 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1dmo h GLU 140 CO 0.03 0.13 -0.42 0.35 -1.16 0.00 0.00 179.01 177.94 1dmo h PHE 141 N 0.00 0.00 0.00 4.33 3.57 -0.25 -0.26 116.94 124.34 1dmo h PHE 141 Ca -0.00 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.36 1dmo h PHE 141 Cb 0.33 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 1dmo h PHE 141 CO 0.00 0.42 -0.64 0.28 -2.23 0.00 0.00 178.31 176.14 1dmo h VAL 142 N 0.00 1.18 0.10 1.41 2.07 0.10 -1.87 116.25 119.24 1dmo h VAL 142 Ca -0.00 -2.45 -0.35 0.00 0.82 0.00 0.00 66.70 64.71 1dmo h VAL 142 Cb 1.03 2.44 -0.02 0.00 -1.52 0.00 0.00 31.29 33.21 1dmo h VAL 142 CO 0.05 0.63 -1.93 1.67 0.02 0.00 0.00 177.57 178.01 1dmo n GLN 143 N -3.37 0.73 0.17 1.57 -0.06 -1.02 -4.14 117.38 111.26 1dmo n GLN 143 Ca 0.01 0.27 0.05 0.00 -2.00 0.00 0.00 57.00 55.32 1dmo n GLN 143 Cb 0.75 -1.73 0.18 0.00 -4.06 0.00 0.00 30.24 25.37 1dmo n GLN 143 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1dmo h MET 144 N 0.06 0.00 -0.95 3.69 -0.00 -1.13 -3.02 114.93 113.58 1dmo h MET 144 Ca -0.39 0.00 0.19 0.00 -0.00 0.00 0.00 59.70 59.50 1dmo h MET 144 Cb 2.03 0.00 -0.11 0.00 -0.00 0.00 0.00 31.60 33.52 1dmo h MET 144 CO 0.09 0.42 0.53 0.52 -0.00 0.00 0.00 176.91 178.46 1dmo h MET 145 N 0.00 0.62 0.11 -0.10 2.86 -1.49 -1.64 114.93 115.29 1dmo h MET 145 Ca -0.00 -0.04 -0.33 0.00 -2.06 0.00 0.00 59.70 57.27 1dmo h MET 145 Cb 1.15 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.66 1dmo h MET 145 CO 0.05 0.41 -1.73 0.00 1.06 0.00 0.00 176.91 176.70 1dmo h THR 146 N 0.64 0.92 -0.33 2.22 1.03 -1.77 -3.49 112.91 112.12 1dmo h THR 146 Ca 0.56 -2.60 0.00 0.00 -0.01 0.00 0.00 66.41 64.35 1dmo h THR 146 Cb 0.92 2.63 0.00 0.00 -1.07 0.00 0.00 68.15 70.63 1dmo h THR 146 CO -0.42 0.80 0.00 0.00 -0.01 0.00 0.00 175.52 175.89 1dmo n ALA 147 N -2.78 0.00 1.33 0.00 0.00 -0.62 -5.18 120.51 113.26 1dmo n ALA 147 Ca -0.22 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.35 1dmo n ALA 147 Cb 1.05 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.88 1dmo n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13