#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dmo n ASP 2 N 0.00 -3.12 -0.49 0.00 2.03 -1.26 -5.01 116.55 108.70 1dmo n ASP 2 Ca 0.00 -0.59 0.00 0.00 0.52 0.00 0.00 54.79 54.72 1dmo n ASP 2 Cb 0.00 -5.05 0.00 0.00 -0.72 0.00 0.00 41.12 35.35 1dmo n ASP 2 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1dmo n GLN 3 N -4.31 3.05 -3.10 -0.67 6.02 -1.26 -4.84 117.38 112.27 1dmo n GLN 3 Ca -0.21 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.60 1dmo n GLN 3 Cb 0.64 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.92 1dmo n GLN 3 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1dmo s LEU 4 N 0.00 3.48 0.36 1.08 1.43 -1.26 -5.02 118.68 118.75 1dmo s LEU 4 Ca 0.00 -0.57 -0.16 0.00 -1.03 0.00 0.00 54.13 52.36 1dmo s LEU 4 Cb 0.00 -2.33 0.04 0.00 0.03 0.00 0.00 46.19 43.93 1dmo s LEU 4 CO 0.00 -0.88 0.76 0.42 0.23 0.00 0.00 176.35 176.88 1dmo s THR 5 N -2.44 0.00 0.24 5.49 -4.23 -1.26 -4.85 115.64 108.59 1dmo s THR 5 Ca 0.55 -1.02 -0.05 0.00 -1.18 0.00 0.00 61.69 59.98 1dmo s THR 5 Cb -0.08 -2.66 0.15 0.00 1.34 0.00 0.00 72.50 71.25 1dmo s THR 5 CO 0.33 0.00 1.79 -0.08 -0.54 0.00 0.00 174.62 176.12 1dmo h GLU 6 N 2.01 1.04 -0.27 3.99 4.81 -2.00 -2.29 114.58 121.88 1dmo h GLU 6 Ca -0.29 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 58.70 1dmo h GLU 6 Cb 1.25 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 1dmo h GLU 6 CO 0.36 0.89 0.03 1.49 -0.73 0.00 0.00 179.01 181.05 1dmo h GLU 7 N 1.01 0.45 -0.83 1.92 4.22 -1.99 -1.80 114.58 117.55 1dmo h GLU 7 Ca 0.22 -0.13 0.15 0.00 0.08 0.00 0.00 59.36 59.68 1dmo h GLU 7 Cb 0.28 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 1dmo h GLU 7 CO -0.01 0.59 0.54 1.96 -2.18 0.00 0.00 179.01 179.91 1dmo h GLN 8 N 0.25 0.55 0.00 1.92 1.08 -1.88 0.80 115.11 117.84 1dmo h GLN 8 Ca 0.08 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.20 1dmo h GLN 8 Cb 0.37 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 1dmo h GLN 8 CO 0.01 0.36 -0.21 0.82 -0.95 0.00 0.00 178.83 178.86 1dmo h ILE 9 N 0.57 0.50 -0.07 2.54 2.04 -0.87 -2.41 117.51 119.81 1dmo h ILE 9 Ca 0.41 -1.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.10 1dmo h ILE 9 Cb 0.78 1.80 -0.00 0.00 -0.74 0.00 0.00 36.82 38.66 1dmo h ILE 9 CO -0.17 0.21 -0.11 0.00 0.00 0.00 0.00 178.15 178.08 1dmo h ALA 10 N 1.79 0.10 -0.13 1.87 0.00 0.14 -2.31 119.26 120.72 1dmo h ALA 10 Ca -0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1dmo h ALA 10 Cb 0.78 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1dmo h ALA 10 CO 0.03 -0.03 -0.10 0.93 0.00 0.00 0.00 179.25 180.08 1dmo h GLU 11 N -0.28 0.20 0.51 0.00 4.39 -1.27 -2.38 114.58 115.75 1dmo h GLU 11 Ca 0.01 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 1dmo h GLU 11 Cb 0.67 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1dmo h GLU 11 CO 0.03 0.31 -0.24 0.74 -1.16 0.00 0.00 179.01 178.68 1dmo h PHE 12 N 0.20 -0.63 -0.76 4.33 -1.00 -1.31 -2.00 116.94 115.77 1dmo h PHE 12 Ca 0.04 -0.01 0.18 0.00 2.81 0.00 0.00 57.97 60.99 1dmo h PHE 12 Cb 0.30 0.21 -0.05 0.00 3.61 0.00 0.00 35.95 40.02 1dmo h PHE 12 CO 0.00 -0.36 0.52 -0.22 -1.61 0.00 0.00 178.31 176.65 1dmo h LYS 13 N -0.76 0.25 0.40 1.51 3.64 -1.11 0.48 116.57 120.97 1dmo h LYS 13 Ca -0.07 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1dmo h LYS 13 Cb 0.56 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1dmo h LYS 13 CO 0.11 0.16 -0.34 1.49 -2.27 0.00 0.00 179.45 178.60 1dmo h GLU 14 N 0.25 -0.72 0.06 1.90 4.81 -0.87 0.68 114.58 120.69 1dmo h GLU 14 Ca 0.38 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.66 1dmo h GLU 14 Cb 1.10 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 1dmo h GLU 14 CO -0.09 -0.48 -0.05 0.00 -0.73 0.00 0.00 179.01 177.66 1dmo h ALA 15 N -0.29 -0.11 -0.73 2.92 0.00 -0.72 0.43 119.26 120.76 1dmo h ALA 15 Ca -0.03 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.05 1dmo h ALA 15 Cb 0.66 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1dmo h ALA 15 CO -0.03 -0.57 0.51 0.35 0.00 0.00 0.00 179.25 179.52 1dmo h PHE 16 N -0.12 0.19 0.00 0.00 3.57 -0.66 0.14 116.94 120.06 1dmo h PHE 16 Ca 0.00 0.01 -0.25 0.00 3.53 0.00 0.00 57.97 61.26 1dmo h PHE 16 Cb 0.12 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 1dmo h PHE 16 CO -0.09 0.06 -1.34 0.77 -2.23 0.00 0.00 178.31 175.48 1dmo h SER 17 N 0.15 0.00 0.32 0.41 0.02 0.16 -2.97 113.55 111.64 1dmo h SER 17 Ca 0.36 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.29 1dmo h SER 17 Cb 1.19 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.72 1dmo h SER 17 CO -0.06 0.99 -0.08 -0.07 -1.14 0.00 0.00 176.83 176.47 1dmo h LEU 18 N 0.00 0.00 -3.02 5.07 3.38 0.26 -2.17 115.31 118.83 1dmo h LEU 18 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1dmo h LEU 18 Cb 1.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.63 1dmo h LEU 18 CO 0.10 0.08 0.00 0.49 0.09 0.00 0.00 178.44 179.21 1dmo n PHE 19 N -3.59 0.48 -2.75 1.13 3.72 -0.87 -4.93 117.46 110.66 1dmo n PHE 19 Ca -0.02 -0.65 -0.42 0.00 -0.05 0.00 0.00 57.45 56.30 1dmo n PHE 19 Cb 0.20 -0.12 -0.04 0.00 -0.94 0.00 0.00 39.48 38.58 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 -1.44 6.17 0.00 4.37 2.15 -0.82 -4.68 116.67 122.43 1dmo s ASP 20 Ca 0.26 -0.80 0.00 0.00 0.43 0.00 0.00 52.55 52.43 1dmo s ASP 20 Cb 0.18 -2.47 0.00 0.00 -0.30 0.00 0.00 42.92 40.33 1dmo s ASP 20 CO 0.10 -1.58 0.00 0.29 -0.17 0.00 0.00 175.17 173.81 1dmo n LYS 21 N 8.30 3.67 0.00 4.34 5.02 -1.26 -4.71 118.16 133.52 1dmo n LYS 21 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1dmo n LYS 21 Cb 0.47 -0.40 0.00 0.00 -0.02 0.00 0.00 35.03 35.08 1dmo n LYS 21 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1dmo n ASP 22 N -0.63 0.00 0.00 4.39 8.00 -1.26 -4.67 116.55 122.38 1dmo n ASP 22 Ca 0.00 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1dmo n ASP 22 Cb 0.00 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 1dmo n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dmo n GLY 23 N -1.21 0.76 0.00 0.44 0.00 -1.26 -4.92 105.19 99.00 1dmo n GLY 23 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1dmo n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1dmo n ASP 24 N 1.01 0.00 0.00 1.61 5.75 -1.26 -5.09 116.55 118.58 1dmo n ASP 24 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1dmo n ASP 24 Cb 0.04 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1dmo n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dmo n GLY 25 N 0.27 0.04 3.76 6.12 0.00 -1.26 -5.03 105.19 109.08 1dmo n GLY 25 Ca 0.00 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 2.12 0.14 2.61 -4.23 -1.26 -4.77 115.64 110.25 1dmo s THR 26 Ca 0.00 0.04 0.05 0.00 -1.18 0.00 0.00 61.69 60.59 1dmo s THR 26 Cb 0.00 -2.71 -0.04 0.00 1.34 0.00 0.00 72.50 71.09 1dmo s THR 26 CO 0.00 -0.05 -0.11 0.27 -0.54 0.00 0.00 174.62 174.19 1dmo s ILE 27 N -3.18 1.16 0.12 2.99 -4.36 -0.28 -4.64 121.20 113.02 1dmo s ILE 27 Ca 0.64 -1.94 -0.09 0.00 -0.26 0.00 0.00 60.65 59.01 1dmo s ILE 27 Cb -0.16 -1.72 -0.06 0.00 1.25 0.00 0.00 42.46 41.78 1dmo s ILE 27 CO 0.55 -0.66 0.42 0.42 0.24 0.00 0.00 174.94 175.91 1dmo s THR 28 N -2.99 5.08 0.59 8.37 -4.23 -1.26 -0.45 115.64 120.74 1dmo s THR 28 Ca 0.14 0.36 0.26 0.00 -1.18 0.00 0.00 61.69 61.26 1dmo s THR 28 Cb 0.00 -3.64 0.38 0.00 1.34 0.00 0.00 72.50 70.58 1dmo s THR 28 CO 0.01 0.16 1.26 0.35 -0.54 0.00 0.00 174.62 175.85 1dmo n THR 29 N 0.50 0.00 -0.03 3.99 -2.24 -1.25 0.14 114.28 115.39 1dmo n THR 29 Ca -0.05 1.22 -0.17 0.00 -2.27 0.00 0.00 64.05 62.79 1dmo n THR 29 Cb 0.52 -2.19 -0.06 0.00 -2.10 0.00 0.00 70.33 66.50 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 0.81 -0.00 -0.78 2.10 -1.91 -2.96 116.57 113.83 1dmo h LYS 30 Ca 0.48 -0.62 0.00 0.00 -2.00 0.00 0.00 60.65 58.51 1dmo h LYS 30 Cb 2.86 0.12 0.00 0.00 -0.90 0.00 0.00 32.23 34.31 1dmo h LYS 30 CO -0.01 1.24 -0.02 0.39 -2.00 0.00 0.00 179.45 179.05 1dmo n GLU 31 N -3.95 0.06 0.14 0.07 1.02 0.38 -3.97 120.64 114.38 1dmo n GLU 31 Ca -0.07 -0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.94 1dmo n GLU 31 Cb 0.72 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.56 1dmo n GLU 31 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1dmo h LEU 32 N 0.01 -1.16 -0.74 -4.62 5.85 -1.21 -1.35 115.31 112.09 1dmo h LEU 32 Ca 0.00 0.11 0.17 0.00 0.84 0.00 0.00 57.88 59.00 1dmo h LEU 32 Cb 0.47 0.41 -0.12 0.00 0.37 0.00 0.00 40.66 41.79 1dmo h LEU 32 CO 0.00 -0.46 0.07 1.23 -0.34 0.00 0.00 178.44 178.94 1dmo h GLY 33 N -0.65 0.91 0.29 3.75 0.00 -1.73 -0.03 103.07 105.62 1dmo h GLY 33 Ca -0.02 0.05 0.05 0.00 0.00 0.00 0.00 47.33 47.41 1dmo h GLY 33 CO -0.16 -0.26 -0.22 -0.84 0.00 0.00 0.00 176.54 175.07 1dmo h THR 34 N 0.16 0.46 0.32 4.70 2.02 -1.61 -1.51 112.91 117.44 1dmo h THR 34 Ca 0.41 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.59 1dmo h THR 34 Cb 0.73 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 1dmo h THR 34 CO -0.60 0.00 -0.39 0.58 0.37 0.00 0.00 175.52 175.48 1dmo h VAL 35 N -0.25 0.21 -1.01 3.16 2.07 0.05 0.99 116.25 121.46 1dmo h VAL 35 Ca 0.11 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.92 1dmo h VAL 35 Cb 0.42 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 1dmo h VAL 35 CO -0.32 0.00 1.00 0.24 0.02 0.00 0.00 177.57 178.52 1dmo h MET 36 N -0.75 0.00 0.38 1.57 2.86 -0.69 0.38 114.93 118.68 1dmo h MET 36 Ca -0.02 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1dmo h MET 36 Cb 0.70 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.36 1dmo h MET 36 CO -0.11 0.00 -0.18 -0.09 1.06 0.00 0.00 176.91 177.59 1dmo h ARG 37 N 0.00 -0.49 0.00 1.72 1.12 0.22 1.00 114.38 117.95 1dmo h ARG 37 Ca 0.48 0.03 0.00 0.00 -1.11 0.00 0.00 59.98 59.38 1dmo h ARG 37 Cb 2.48 0.11 0.00 0.00 -0.01 0.00 0.00 29.97 32.55 1dmo h ARG 37 CO -0.01 -0.33 0.00 1.03 -3.11 0.00 0.00 179.97 177.56 1dmo h SER 38 N -0.97 0.00 0.36 -3.80 0.87 -0.79 -2.42 113.55 106.81 1dmo h SER 38 Ca -0.05 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.23 1dmo h SER 38 Cb 0.39 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.30 1dmo h SER 38 CO 0.09 0.00 -1.87 -0.11 -0.53 0.00 0.00 176.83 174.41 1dmo n LEU 39 N -2.57 0.57 0.00 2.23 0.00 0.11 -4.93 117.00 112.41 1dmo n LEU 39 Ca 0.01 0.26 0.00 0.00 0.00 0.00 0.00 56.01 56.28 1dmo n LEU 39 Cb 0.21 0.24 0.00 0.00 0.00 0.00 0.00 43.42 43.87 1dmo n LEU 39 CO 0.21 0.35 0.00 0.61 0.00 0.00 0.00 177.39 178.56 1dmo n GLY 40 N 1.57 0.69 3.71 -3.96 0.00 0.34 -5.02 105.19 102.52 1dmo n GLY 40 Ca -0.20 -0.05 0.03 0.00 0.00 0.00 0.00 46.02 45.81 1dmo n GLY 40 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1dmo s GLN 41 N 0.19 0.22 -0.40 1.61 0.74 -0.69 -4.88 119.66 116.45 1dmo s GLN 41 Ca 0.00 -0.13 -0.09 0.00 0.05 0.00 0.00 55.36 55.19 1dmo s GLN 41 Cb 0.00 0.07 -0.11 0.00 1.10 0.00 0.00 33.01 34.07 1dmo s GLN 41 CO 0.00 -0.10 0.99 -1.71 -0.55 0.00 0.00 175.29 173.91 1dmo n ASN 42 N -0.66 -0.16 -2.51 6.67 2.85 -1.26 -4.51 115.26 115.69 1dmo n ASN 42 Ca -0.05 -0.04 -0.03 0.00 -0.11 0.00 0.00 54.58 54.34 1dmo n ASN 42 Cb 0.62 -0.30 0.03 0.00 1.24 0.00 0.00 39.78 41.36 1dmo n ASN 42 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1dmo n PRO 43 N 2.90 -0.94 -4.04 1.20 -0.04 -1.26 -5.05 135.00 127.77 1dmo n PRO 43 Ca 0.27 -0.20 -0.31 0.00 -0.04 0.00 0.00 63.50 63.21 1dmo n PRO 43 Cb 0.03 -0.17 -0.16 0.00 -0.04 0.00 0.00 33.50 33.16 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 -1.25 1.87 0.58 0.52 2.01 -1.26 -4.98 115.64 113.14 1dmo s THR 44 Ca 0.08 -1.17 0.32 0.00 0.31 0.00 0.00 61.69 61.22 1dmo s THR 44 Cb -0.01 -1.90 0.45 0.00 0.01 0.00 0.00 72.50 71.05 1dmo s THR 44 CO 0.06 0.19 1.71 1.05 -0.69 0.00 0.00 174.62 176.94 1dmo h GLU 45 N 7.91 0.00 0.00 4.92 4.11 -1.98 0.25 114.58 129.79 1dmo h GLU 45 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 1dmo h GLU 45 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1dmo h GLU 45 CO 0.50 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.58 1dmo n ALA 46 N -2.46 -0.10 -0.30 1.06 0.00 -1.26 -2.31 120.51 115.13 1dmo n ALA 46 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.74 1dmo n ALA 46 Cb 1.11 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.84 1dmo n ALA 46 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1dmo h GLU 47 N 0.00 0.44 -0.46 0.00 4.57 -1.88 0.41 114.58 117.66 1dmo h GLU 47 Ca 0.00 -0.03 0.09 0.00 -1.18 0.00 0.00 59.36 58.25 1dmo h GLU 47 Cb 0.00 -0.10 -0.09 0.00 -0.16 0.00 0.00 28.75 28.40 1dmo h GLU 47 CO 0.00 0.29 -0.18 1.25 -1.18 0.00 0.00 179.01 179.19 1dmo h LEU 48 N 0.45 -0.63 -1.33 1.64 5.85 -0.63 0.40 115.31 121.06 1dmo h LEU 48 Ca 0.54 0.16 -0.04 0.00 0.84 0.00 0.00 57.88 59.38 1dmo h LEU 48 Cb 0.96 0.36 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 1dmo h LEU 48 CO -0.49 -0.21 0.01 -0.61 -0.34 0.00 0.00 178.44 176.80 1dmo h GLN 49 N -0.08 0.46 0.00 1.25 4.15 0.14 -1.29 115.11 119.74 1dmo h GLN 49 Ca 0.22 -0.09 -0.04 0.00 0.77 0.00 0.00 58.65 59.52 1dmo h GLN 49 Cb 0.42 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 1dmo h GLN 49 CO -0.52 0.48 -0.18 0.22 -1.93 0.00 0.00 178.83 176.90 1dmo h ASP 50 N 0.44 0.00 0.65 -0.69 1.82 0.17 -1.96 116.42 116.85 1dmo h ASP 50 Ca 0.10 0.00 -0.22 0.00 -0.39 0.00 0.00 57.03 56.52 1dmo h ASP 50 Cb 0.27 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.27 1dmo h ASP 50 CO 0.01 0.18 -0.98 0.24 -1.61 0.00 0.00 179.24 177.08 1dmo h MET 51 N 0.00 0.19 0.51 0.28 2.86 0.21 -3.24 114.93 115.73 1dmo h MET 51 Ca -0.00 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.37 1dmo h MET 51 Cb 0.33 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1dmo h MET 51 CO 0.02 1.02 -0.24 0.82 1.06 0.00 0.00 176.91 179.59 1dmo h ILE 52 N 0.09 0.00 -0.80 -1.22 5.03 -0.86 -2.13 117.51 117.62 1dmo h ILE 52 Ca -0.06 -0.07 0.23 0.00 -0.12 0.00 0.00 64.86 64.84 1dmo h ILE 52 Cb 1.65 0.00 -0.03 0.00 -3.03 0.00 0.00 36.82 35.41 1dmo h ILE 52 CO 0.15 0.00 0.99 -1.13 -0.68 0.00 0.00 178.15 177.48 1dmo h ASN 53 N -0.75 0.00 0.10 1.72 -0.00 -1.61 0.36 115.58 115.40 1dmo h ASN 53 Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.23 1dmo h ASN 53 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.84 1dmo h ASN 53 CO 0.11 0.00 -0.05 -0.08 -0.00 0.00 0.00 177.43 177.41 1dmo h GLU 54 N 0.00 -0.13 -0.20 6.67 4.81 -1.44 -3.28 114.58 121.00 1dmo h GLU 54 Ca 0.38 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 1dmo h GLU 54 Cb 2.36 0.03 0.00 0.00 0.63 0.00 0.00 28.75 31.77 1dmo h GLU 54 CO -0.00 -0.09 0.00 1.33 -0.73 0.00 0.00 179.01 179.52 1dmo n VAL 55 N -3.35 0.00 0.43 0.32 0.24 -0.40 -3.75 118.33 111.82 1dmo n VAL 55 Ca -0.02 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.23 1dmo n VAL 55 Cb 0.05 -0.16 0.06 0.00 -1.47 0.00 0.00 33.84 32.32 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 -0.36 3.03 -1.22 -1.34 2.03 0.11 -4.37 116.55 114.43 1dmo n ASP 56 Ca 0.00 -2.39 0.00 0.00 0.52 0.00 0.00 54.79 52.92 1dmo n ASP 56 Cb 0.05 -0.58 0.00 0.00 -0.72 0.00 0.00 41.12 39.87 1dmo n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1dmo n ALA 57 N 0.08 2.79 -3.15 -1.67 0.00 -1.25 -4.13 120.51 113.19 1dmo n ALA 57 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.60 1dmo n ALA 57 Cb 0.76 -1.06 -0.01 0.00 0.00 0.00 0.00 19.45 19.14 1dmo n ALA 57 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1dmo s ASP 58 N 1.37 -1.41 0.30 0.00 -1.08 -1.26 -4.99 116.67 109.61 1dmo s ASP 58 Ca 0.00 -0.54 0.20 0.00 -0.52 0.00 0.00 52.55 51.69 1dmo s ASP 58 Cb 0.00 1.81 0.69 0.00 -1.46 0.00 0.00 42.92 43.95 1dmo s ASP 58 CO 0.00 -0.17 0.74 0.61 0.52 0.00 0.00 175.17 176.87 1dmo n GLY 59 N 4.52 -0.45 0.35 2.66 0.00 -1.26 -0.29 105.19 110.71 1dmo n GLY 59 Ca 0.09 0.27 0.28 0.00 0.00 0.00 0.00 46.02 46.67 1dmo n GLY 59 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1dmo h ASN 60 N 0.00 0.42 -2.84 1.61 2.35 -1.94 -3.45 115.58 111.73 1dmo h ASN 60 Ca 0.37 0.21 -0.07 0.00 -0.55 0.00 0.00 56.30 56.26 1dmo h ASN 60 Cb 1.75 0.18 0.04 0.00 0.05 0.00 0.00 38.32 40.33 1dmo h ASN 60 CO -0.00 -0.24 -0.17 0.61 -1.65 0.00 0.00 177.43 175.98 1dmo n GLY 61 N -1.31 0.28 3.39 2.83 0.00 0.60 -5.07 105.19 105.91 1dmo n GLY 61 Ca 0.34 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.08 0.00 -0.03 2.61 -4.23 -1.26 -3.93 115.64 105.72 1dmo s THR 62 Ca 0.01 -1.70 -0.02 0.00 -1.18 0.00 0.00 61.69 58.80 1dmo s THR 62 Cb -0.00 -2.33 0.02 0.00 1.34 0.00 0.00 72.50 71.53 1dmo s THR 62 CO 0.16 -0.01 0.08 -0.63 -0.54 0.00 0.00 174.62 173.67 1dmo s ILE 63 N -4.09 -0.03 0.43 2.99 1.01 0.40 -4.76 121.20 117.15 1dmo s ILE 63 Ca 0.30 0.11 0.08 0.00 0.00 0.00 0.00 60.65 61.14 1dmo s ILE 63 Cb 0.03 -0.13 0.01 0.00 0.01 0.00 0.00 42.46 42.39 1dmo s ILE 63 CO 0.10 0.04 0.58 -1.81 0.00 0.00 0.00 174.94 173.85 1dmo s ASP 64 N 0.61 5.60 0.20 3.58 1.01 -1.26 -1.13 116.67 125.28 1dmo s ASP 64 Ca -0.05 -0.46 -0.10 0.00 0.71 0.00 0.00 52.55 52.65 1dmo s ASP 64 Cb -0.07 -0.59 0.26 0.00 1.01 0.00 0.00 42.92 43.53 1dmo s ASP 64 CO -0.02 -0.80 1.74 0.15 0.21 0.00 0.00 175.17 176.45 1dmo h PHE 65 N 0.62 0.37 -0.09 4.23 3.57 -1.97 0.44 116.94 124.12 1dmo h PHE 65 Ca -0.39 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.17 1dmo h PHE 65 Cb 1.28 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.91 1dmo h PHE 65 CO 0.41 0.09 -0.10 -1.35 -2.23 0.00 0.00 178.31 175.13 1dmo h PRO 66 N 0.39 -0.13 -0.81 6.41 0.10 -2.00 -1.27 132.00 134.69 1dmo h PRO 66 Ca 0.29 0.01 0.01 0.00 0.10 0.00 0.00 66.00 66.41 1dmo h PRO 66 Cb 0.36 0.03 -0.04 0.00 0.10 0.00 0.00 31.00 31.44 1dmo h PRO 66 CO -0.30 -0.08 0.54 0.93 0.10 0.00 0.00 178.00 179.18 1dmo h GLU 67 N -0.13 1.05 -0.34 1.05 3.07 -1.82 -0.56 114.58 116.89 1dmo h GLU 67 Ca 0.07 -0.06 0.01 0.00 -0.50 0.00 0.00 59.36 58.88 1dmo h GLU 67 Cb 0.23 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 27.88 1dmo h GLU 67 CO -0.16 0.69 0.23 0.35 -1.40 0.00 0.00 179.01 178.72 1dmo h PHE 68 N 1.08 0.41 0.62 4.33 3.57 0.16 -2.36 116.94 124.75 1dmo h PHE 68 Ca 0.30 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.78 1dmo h PHE 68 Cb -0.10 -0.14 0.01 0.00 2.79 0.00 0.00 35.95 38.51 1dmo h PHE 68 CO -0.00 0.25 -0.30 -0.07 -2.23 0.00 0.00 178.31 175.96 1dmo h LEU 69 N 0.43 -0.71 -1.31 0.59 3.38 -0.07 -1.90 115.31 115.72 1dmo h LEU 69 Ca 0.13 -0.02 0.34 0.00 0.09 0.00 0.00 57.88 58.41 1dmo h LEU 69 Cb -0.00 0.18 -0.12 0.00 0.09 0.00 0.00 40.66 40.81 1dmo h LEU 69 CO -0.03 -0.37 0.72 0.74 0.09 0.00 0.00 178.44 179.59 1dmo h THR 70 N -1.06 0.34 -0.48 0.22 2.02 -1.23 0.86 112.91 113.59 1dmo h THR 70 Ca -0.09 -0.09 -0.12 0.00 0.77 0.00 0.00 66.41 66.88 1dmo h THR 70 Cb 0.69 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1dmo h THR 70 CO 0.14 0.05 -0.16 0.24 0.37 0.00 0.00 175.52 176.16 1dmo h MET 71 N 0.27 0.96 -0.30 6.66 2.86 -1.11 -1.26 114.93 123.02 1dmo h MET 71 Ca 0.70 -0.39 -0.08 0.00 -2.06 0.00 0.00 59.70 57.88 1dmo h MET 71 Cb 1.91 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 33.52 1dmo h MET 71 CO -0.40 1.05 -0.12 0.52 1.06 0.00 0.00 176.91 179.03 1dmo h MET 72 N 0.81 0.61 -0.53 1.72 2.07 0.14 -2.44 114.93 117.31 1dmo h MET 72 Ca 0.12 -0.26 -0.02 0.00 -2.07 0.00 0.00 59.70 57.47 1dmo h MET 72 Cb 0.73 -0.02 -0.03 0.00 -1.87 0.00 0.00 31.60 30.41 1dmo h MET 72 CO 0.06 0.83 0.23 0.00 1.07 0.00 0.00 176.91 179.10 1dmo h ALA 73 N 0.77 1.42 -0.30 6.32 0.00 -0.72 0.28 119.26 127.03 1dmo h ALA 73 Ca 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1dmo h ALA 73 Cb 0.63 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1dmo h ALA 73 CO 0.04 0.45 0.12 -0.09 0.00 0.00 0.00 179.25 179.77 1dmo h ARG 74 N 0.75 0.45 0.00 0.00 2.43 -1.03 0.23 114.38 117.21 1dmo h ARG 74 Ca 0.18 -0.08 -0.13 0.00 -0.81 0.00 0.00 59.98 59.14 1dmo h ARG 74 Cb 0.11 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1dmo h ARG 74 CO -0.02 0.46 -0.62 0.87 -1.51 0.00 0.00 179.97 179.15 1dmo h LYS 75 N 0.33 0.00 0.00 0.20 1.79 -1.00 -2.70 116.57 115.19 1dmo h LYS 75 Ca 0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1dmo h LYS 75 Cb 0.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1dmo h LYS 75 CO -0.01 0.62 0.00 1.98 -1.08 0.00 0.00 179.45 180.96 1dmo h MET 76 N 0.00 0.00 -4.48 3.15 4.05 -0.06 -3.47 114.93 114.13 1dmo h MET 76 Ca -0.01 0.00 -0.37 0.00 -0.28 0.00 0.00 59.70 59.04 1dmo h MET 76 Cb 1.11 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.91 1dmo h MET 76 CO 0.08 0.00 -0.53 1.63 0.23 0.00 0.00 176.91 178.32 1dmo n LYS 77 N -2.49 -3.59 -3.56 0.39 5.02 0.78 -4.93 118.16 109.78 1dmo n LYS 77 Ca 0.05 0.74 -0.12 0.00 -2.02 0.00 0.00 58.31 56.95 1dmo n LYS 77 Cb 0.42 -5.48 -0.04 0.00 -0.02 0.00 0.00 35.03 29.91 1dmo n LYS 77 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1dmo s ASP 78 N -2.51 -0.39 0.33 4.39 1.01 -1.15 -5.07 116.67 113.29 1dmo s ASP 78 Ca 0.24 -0.04 -0.09 0.00 0.71 0.00 0.00 52.55 53.36 1dmo s ASP 78 Cb -0.12 0.51 0.04 0.00 1.01 0.00 0.00 42.92 44.36 1dmo s ASP 78 CO 0.30 -0.82 0.60 1.07 0.21 0.00 0.00 175.17 176.53 1dmo n THR 79 N 0.01 0.00 -2.90 -1.27 5.66 -1.26 -4.71 114.28 109.81 1dmo n THR 79 Ca -0.17 -1.09 -0.13 0.00 -3.05 0.00 0.00 64.05 59.62 1dmo n THR 79 Cb 0.63 0.89 0.04 0.00 -1.55 0.00 0.00 70.33 70.34 1dmo n THR 79 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1dmo n ASP 80 N -1.53 -1.26 -0.00 1.09 5.68 -1.26 -4.64 116.55 114.63 1dmo n ASP 80 Ca -0.05 -3.40 -0.01 0.00 -0.50 0.00 0.00 54.79 50.83 1dmo n ASP 80 Cb 0.52 0.99 -0.00 0.00 -1.14 0.00 0.00 41.12 41.48 1dmo n ASP 80 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1dmo h SER 81 N 3.13 -0.03 -1.55 -1.12 0.02 -2.00 -3.27 113.55 108.73 1dmo h SER 81 Ca -0.03 0.00 0.45 0.00 -0.84 0.00 0.00 61.79 61.37 1dmo h SER 81 Cb 1.04 0.01 -0.06 0.00 0.14 0.00 0.00 62.40 63.53 1dmo h SER 81 CO 0.28 0.16 1.23 -0.33 -1.14 0.00 0.00 176.83 177.03 1dmo h GLU 82 N -0.41 0.00 -0.41 3.45 5.08 -1.95 1.02 114.58 121.36 1dmo h GLU 82 Ca -0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1dmo h GLU 82 Cb 0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1dmo h GLU 82 CO 0.01 0.00 -0.09 0.93 -1.00 0.00 0.00 179.01 178.86 1dmo h GLU 83 N 0.00 0.78 -0.46 2.33 5.08 -1.97 0.17 114.58 120.51 1dmo h GLU 83 Ca 0.74 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.77 1dmo h GLU 83 Cb 3.19 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 32.37 1dmo h GLU 83 CO -0.01 0.90 0.14 1.49 -1.00 0.00 0.00 179.01 180.54 1dmo h GLU 84 N 0.60 0.72 -0.24 2.33 4.81 0.10 -2.80 114.58 120.10 1dmo h GLU 84 Ca 0.11 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 1dmo h GLU 84 Cb 0.61 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1dmo h GLU 84 CO 0.04 0.68 -0.00 0.82 -0.73 0.00 0.00 179.01 179.82 1dmo h ILE 85 N 0.61 1.26 -0.61 2.32 2.04 -1.36 -2.62 117.51 119.15 1dmo h ILE 85 Ca 0.15 -0.91 0.11 0.00 1.00 0.00 0.00 64.86 65.21 1dmo h ILE 85 Cb 0.27 1.38 -0.12 0.00 -0.74 0.00 0.00 36.82 37.61 1dmo h ILE 85 CO -0.00 0.28 -0.28 -0.09 0.00 0.00 0.00 178.15 178.06 1dmo h ARG 86 N 0.20 -0.11 -0.78 2.37 2.43 -0.51 0.16 114.38 118.13 1dmo h ARG 86 Ca 0.07 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1dmo h ARG 86 Cb 0.42 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.96 1dmo h ARG 86 CO 0.01 -0.07 0.41 1.49 -1.51 0.00 0.00 179.97 180.30 1dmo h GLU 87 N -0.11 1.11 -1.11 0.20 4.57 -1.44 -1.93 114.58 115.86 1dmo h GLU 87 Ca 0.26 -0.14 0.32 0.00 -1.18 0.00 0.00 59.36 58.61 1dmo h GLU 87 Cb 0.53 -0.21 -0.11 0.00 -0.16 0.00 0.00 28.75 28.80 1dmo h GLU 87 CO -0.68 0.84 0.70 0.00 -1.18 0.00 0.00 179.01 178.69 1dmo h ALA 88 N 1.21 2.32 -0.00 2.92 0.00 -0.31 0.21 119.26 125.61 1dmo h ALA 88 Ca 0.27 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 55.15 1dmo h ALA 88 Cb 0.07 0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1dmo h ALA 88 CO -0.04 -0.81 -0.49 0.74 0.00 0.00 0.00 179.25 178.65 1dmo h PHE 89 N 0.31 0.50 -1.00 0.00 0.04 -0.91 -3.24 116.94 112.64 1dmo h PHE 89 Ca 0.67 -0.27 0.21 0.00 2.80 0.00 0.00 57.97 61.39 1dmo h PHE 89 Cb 1.80 -0.06 -0.10 0.00 2.20 0.00 0.00 35.95 39.79 1dmo h PHE 89 CO -0.00 1.08 0.62 -0.09 -0.60 0.00 0.00 178.31 179.31 1dmo h ARG 90 N -0.22 0.63 -1.28 1.51 2.43 -0.30 0.18 114.38 117.34 1dmo h ARG 90 Ca -0.06 -0.04 0.37 0.00 -0.81 0.00 0.00 59.98 59.44 1dmo h ARG 90 Cb 1.21 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.57 1dmo h ARG 90 CO 0.10 0.42 1.10 0.28 -1.51 0.00 0.00 179.97 180.35 1dmo h VAL 91 N 0.65 0.14 0.01 0.20 2.07 -1.29 0.53 116.25 118.56 1dmo h VAL 91 Ca 0.58 0.00 -0.36 0.00 0.82 0.00 0.00 66.70 67.74 1dmo h VAL 91 Cb 1.06 0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 30.95 1dmo h VAL 91 CO -0.36 0.00 -2.27 0.49 0.02 0.00 0.00 177.57 175.45 1dmo n PHE 92 N -3.72 0.26 -1.54 1.57 3.01 0.62 -4.95 117.46 112.72 1dmo n PHE 92 Ca 0.28 0.08 -0.50 0.00 1.01 0.00 0.00 57.45 58.32 1dmo n PHE 92 Cb 1.50 -1.04 -0.05 0.00 -0.01 0.00 0.00 39.48 39.88 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 -2.99 0.71 -0.45 4.37 2.03 0.19 -4.83 116.55 115.57 1dmo n ASP 93 Ca -0.34 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.12 1dmo n ASP 93 Cb 1.09 -1.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.36 1dmo n ASP 93 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1dmo n LYS 94 N 1.57 0.00 0.00 -0.67 2.85 -1.26 -4.99 118.16 115.66 1dmo n LYS 94 Ca 0.16 -0.20 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 1dmo n LYS 94 Cb 0.22 -0.10 0.00 0.00 -0.65 0.00 0.00 35.03 34.50 1dmo n LYS 94 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1dmo n ASP 95 N 0.00 0.00 0.00 -5.58 2.03 -1.26 -4.90 116.55 106.84 1dmo n ASP 95 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1dmo n ASP 95 Cb 0.54 0.08 0.00 0.00 -0.72 0.00 0.00 41.12 41.02 1dmo n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1dmo n GLY 96 N -1.00 -0.11 1.62 0.27 0.00 -1.26 -4.64 105.19 100.07 1dmo n GLY 96 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1dmo n GLY 96 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1dmo n ASN 97 N -0.99 -1.47 0.00 1.61 4.05 -1.26 -4.19 115.26 113.01 1dmo n ASN 97 Ca 0.00 0.10 0.00 0.00 0.45 0.00 0.00 54.58 55.13 1dmo n ASN 97 Cb 0.07 -1.56 0.00 0.00 1.23 0.00 0.00 39.78 39.52 1dmo n ASN 97 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1dmo n GLY 98 N -0.01 0.00 3.17 8.20 0.00 -1.26 -5.08 105.19 110.20 1dmo n GLY 98 Ca -0.04 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.82 0.28 1.61 2.02 -1.26 -4.54 117.35 114.64 1dmo s TYR 99 Ca 0.00 0.90 0.07 0.00 -0.37 0.00 0.00 57.07 57.67 1dmo s TYR 99 Cb 0.00 0.30 -0.03 0.00 -0.40 0.00 0.00 41.96 41.83 1dmo s TYR 99 CO 0.00 -0.44 0.23 0.96 -1.57 0.00 0.00 175.55 174.73 1dmo s ILE 100 N 2.90 4.14 0.28 2.71 -4.36 -0.67 -4.62 121.20 121.57 1dmo s ILE 100 Ca 0.04 -1.38 -0.29 0.00 -0.26 0.00 0.00 60.65 58.76 1dmo s ILE 100 Cb -0.11 -3.33 -0.09 0.00 1.25 0.00 0.00 42.46 40.17 1dmo s ILE 100 CO -0.14 -0.29 1.05 -0.55 0.24 0.00 0.00 174.94 175.25 1dmo s SER 101 N -3.90 7.35 0.58 4.36 0.15 -1.26 -0.13 113.70 120.84 1dmo s SER 101 Ca 0.36 2.16 0.28 0.00 0.70 0.00 0.00 55.95 59.44 1dmo s SER 101 Cb -0.07 -2.62 1.64 0.00 -1.71 0.00 0.00 66.02 63.26 1dmo s SER 101 CO 0.26 -0.08 2.13 0.00 1.20 0.00 0.00 173.24 176.75 1dmo h ALA 102 N 3.81 1.80 0.52 5.45 0.00 -1.49 -1.19 119.26 128.17 1dmo h ALA 102 Ca -0.46 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 1dmo h ALA 102 Cb 1.21 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.01 1dmo h ALA 102 CO 0.67 -0.22 -0.25 0.00 0.00 0.00 0.00 179.25 179.45 1dmo h ALA 103 N 1.84 -0.97 -0.61 0.00 0.00 -1.91 -1.97 119.26 115.64 1dmo h ALA 103 Ca 0.07 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 54.95 1dmo h ALA 103 Cb 0.37 0.27 -0.09 0.00 0.00 0.00 0.00 17.79 18.33 1dmo h ALA 103 CO -0.00 -0.91 0.10 0.93 0.00 0.00 0.00 179.25 179.37 1dmo h GLU 104 N -0.84 0.22 -0.81 0.00 3.07 -1.86 0.12 114.58 114.48 1dmo h GLU 104 Ca -0.07 -0.01 0.19 0.00 -0.50 0.00 0.00 59.36 58.97 1dmo h GLU 104 Cb 0.53 -0.05 -0.14 0.00 -0.84 0.00 0.00 28.75 28.25 1dmo h GLU 104 CO 0.12 0.15 0.07 1.25 -1.40 0.00 0.00 179.01 179.19 1dmo h LEU 105 N 0.23 -0.26 -1.52 1.33 6.46 -1.16 1.87 115.31 122.26 1dmo h LEU 105 Ca 0.32 0.20 0.08 0.00 -0.12 0.00 0.00 57.88 58.37 1dmo h LEU 105 Cb 0.50 0.33 -0.04 0.00 -0.73 0.00 0.00 40.66 40.72 1dmo h LEU 105 CO -0.44 -0.18 0.43 -0.09 -0.62 0.00 0.00 178.44 177.54 1dmo h ARG 106 N 0.13 0.55 -0.23 1.25 2.43 0.04 0.95 114.38 119.50 1dmo h ARG 106 Ca 0.46 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 59.44 1dmo h ARG 106 Cb 0.86 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1dmo h ARG 106 CO -0.68 0.36 -0.51 1.25 -1.51 0.00 0.00 179.97 178.88 1dmo h HIS 107 N 0.56 0.78 -0.96 2.20 2.76 0.30 -3.02 115.15 117.77 1dmo h HIS 107 Ca 0.30 -0.26 0.07 0.00 -2.20 0.00 0.00 60.37 58.27 1dmo h HIS 107 Cb 0.42 -0.15 -0.06 0.00 1.55 0.00 0.00 27.41 29.17 1dmo h HIS 107 CO -0.00 1.01 0.62 0.28 -1.30 0.00 0.00 177.93 178.54 1dmo h VAL 108 N 0.49 1.07 0.00 5.26 2.07 0.19 0.25 116.25 125.59 1dmo h VAL 108 Ca 0.02 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1dmo h VAL 108 Cb 1.06 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1dmo h VAL 108 CO 0.10 0.20 0.00 0.24 0.02 0.00 0.00 177.57 178.13 1dmo h MET 109 N 1.10 0.00 0.01 1.57 2.07 -1.30 -2.29 114.93 116.09 1dmo h MET 109 Ca 0.42 0.00 -0.20 0.00 -2.07 0.00 0.00 59.70 57.84 1dmo h MET 109 Cb 0.20 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.92 1dmo h MET 109 CO -0.16 0.00 -0.90 1.15 1.07 0.00 0.00 176.91 178.07 1dmo h THR 110 N 0.00 1.50 0.01 2.22 2.02 -0.45 -0.17 112.91 118.04 1dmo h THR 110 Ca 0.00 -2.67 -0.00 0.00 0.77 0.00 0.00 66.41 64.51 1dmo h THR 110 Cb 0.46 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 69.37 1dmo h THR 110 CO 0.00 0.78 -0.00 -1.13 0.37 0.00 0.00 175.52 175.53 1dmo h ASN 111 N 0.10 -0.01 0.44 4.18 -0.73 -0.99 -3.34 115.58 115.24 1dmo h ASN 111 Ca -0.05 -0.69 -0.02 0.00 1.87 0.00 0.00 56.30 57.41 1dmo h ASN 111 Cb 1.54 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.14 1dmo h ASN 111 CO 0.14 0.69 -0.21 -0.07 -0.37 0.00 0.00 177.43 177.61 1dmo h LEU 112 N -0.71 -0.50 -2.56 0.34 3.38 -1.55 -3.49 115.31 110.22 1dmo h LEU 112 Ca -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1dmo h LEU 112 Cb 0.69 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1dmo h LEU 112 CO 0.00 -0.16 -0.23 0.61 0.09 0.00 0.00 178.44 178.75 1dmo n GLY 113 N -0.57 -1.03 0.00 0.83 0.00 -0.08 -5.05 105.19 99.29 1dmo n GLY 113 Ca -0.10 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1dmo n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1dmo n GLU 114 N -0.68 0.00 -0.90 1.61 4.71 -1.26 -5.00 120.64 119.12 1dmo n GLU 114 Ca 0.05 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.17 1dmo n GLU 114 Cb 0.35 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.74 1dmo n GLU 114 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1dmo n LYS 115 N 0.00 0.00 -3.81 3.49 5.02 -1.26 -5.04 118.16 116.56 1dmo n LYS 115 Ca 0.00 -0.85 -0.33 0.00 -2.02 0.00 0.00 58.31 55.11 1dmo n LYS 115 Cb 0.00 0.28 -0.11 0.00 -0.02 0.00 0.00 35.03 35.18 1dmo n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1dmo s LEU 116 N 0.00 4.92 1.05 -0.35 1.43 -1.26 -5.04 118.68 119.42 1dmo s LEU 116 Ca 0.04 -3.11 -0.18 0.00 -1.03 0.00 0.00 54.13 49.84 1dmo s LEU 116 Cb 0.04 -1.77 0.02 0.00 0.03 0.00 0.00 46.19 44.51 1dmo s LEU 116 CO -0.02 -0.27 -0.20 1.07 0.23 0.00 0.00 176.35 177.16 1dmo n THR 117 N 3.07 0.00 -0.21 5.49 5.66 -1.26 -4.05 114.28 122.98 1dmo n THR 117 Ca 0.10 -0.25 0.31 0.00 -3.05 0.00 0.00 64.05 61.16 1dmo n THR 117 Cb 0.35 -0.46 0.72 0.00 -1.55 0.00 0.00 70.33 69.39 1dmo n THR 117 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 1dmo h ASP 118 N -1.68 0.00 0.06 1.09 3.32 -1.98 0.98 116.42 118.22 1dmo h ASP 118 Ca -0.48 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.57 1dmo h ASP 118 Cb 1.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.89 1dmo h ASP 118 CO 0.33 0.00 -0.03 -0.33 -1.72 0.00 0.00 179.24 177.49 1dmo h GLU 119 N 0.00 -0.08 -0.64 3.56 5.08 -1.99 0.22 114.58 120.73 1dmo h GLU 119 Ca 0.46 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.76 1dmo h GLU 119 Cb 2.02 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 31.26 1dmo h GLU 119 CO -0.00 0.28 0.11 0.93 -1.00 0.00 0.00 179.01 179.32 1dmo h GLU 120 N -0.45 1.04 -0.06 2.33 4.39 -1.13 -1.73 114.58 118.96 1dmo h GLU 120 Ca -0.01 -0.26 -0.12 0.00 0.34 0.00 0.00 59.36 59.30 1dmo h GLU 120 Cb 0.40 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1dmo h GLU 120 CO 0.01 0.95 -0.52 0.28 -1.16 0.00 0.00 179.01 178.57 1dmo h VAL 121 N 0.97 1.36 0.16 3.13 2.07 -1.12 -2.32 116.25 120.51 1dmo h VAL 121 Ca 0.20 -1.79 -0.01 0.00 0.82 0.00 0.00 66.70 65.92 1dmo h VAL 121 Cb 0.42 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1dmo h VAL 121 CO 0.01 0.53 -0.08 0.44 0.02 0.00 0.00 177.57 178.49 1dmo h ASP 122 N 0.14 -0.18 0.01 0.57 3.32 -0.15 0.11 116.42 120.24 1dmo h ASP 122 Ca 0.00 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.74 1dmo h ASP 122 Cb 0.97 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.56 1dmo h ASP 122 CO 0.08 0.24 -0.02 -0.08 -1.72 0.00 0.00 179.24 177.74 1dmo h GLU 123 N -0.65 0.05 0.09 3.56 4.22 -1.35 -2.19 114.58 118.32 1dmo h GLU 123 Ca -0.02 -0.00 -0.20 0.00 0.08 0.00 0.00 59.36 59.21 1dmo h GLU 123 Cb 0.48 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.74 1dmo h GLU 123 CO 0.04 0.08 -0.84 1.98 -2.18 0.00 0.00 179.01 178.08 1dmo h MET 124 N 0.05 0.41 -0.87 1.92 4.05 -1.31 -3.25 114.93 115.93 1dmo h MET 124 Ca 0.01 -0.57 0.07 0.00 -0.28 0.00 0.00 59.70 58.94 1dmo h MET 124 Cb 0.07 0.19 -0.06 0.00 -0.80 0.00 0.00 31.60 31.01 1dmo h MET 124 CO 0.00 1.23 0.57 0.82 0.23 0.00 0.00 176.91 179.76 1dmo h ILE 125 N -0.13 1.03 -0.35 1.77 2.04 -0.37 0.52 117.51 122.04 1dmo h ILE 125 Ca -0.13 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 1dmo h ILE 125 Cb 1.59 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 1dmo h ILE 125 CO 0.16 0.17 0.21 -0.09 0.00 0.00 0.00 178.15 178.60 1dmo h ARG 126 N 0.95 0.46 -0.59 2.37 1.12 -1.46 -0.80 114.38 116.42 1dmo h ARG 126 Ca 0.38 -0.03 -0.08 0.00 -1.11 0.00 0.00 59.98 59.14 1dmo h ARG 126 Cb 0.26 -0.10 -0.05 0.00 -0.01 0.00 0.00 29.97 30.07 1dmo h ARG 126 CO -0.15 0.32 0.09 0.39 -3.11 0.00 0.00 179.97 177.52 1dmo n GLU 127 N -4.47 4.25 0.00 0.20 1.02 0.05 -4.57 120.64 117.13 1dmo n GLU 127 Ca 0.02 -3.12 0.00 0.00 -0.02 0.00 0.00 57.16 54.05 1dmo n GLU 127 Cb 0.08 -2.20 0.00 0.00 -0.02 0.00 0.00 31.44 29.30 1dmo n GLU 127 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dmo n ALA 128 N 0.20 2.05 -3.00 0.62 0.00 -0.31 -4.66 120.51 115.41 1dmo n ALA 128 Ca 0.32 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.56 1dmo n ALA 128 Cb 1.23 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 19.72 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 0.59 -5.62 -4.91 0.00 2.85 -1.26 -4.68 115.26 102.24 1dmo n ASN 129 Ca 0.00 -0.28 -0.28 0.00 -0.11 0.00 0.00 54.58 53.91 1dmo n ASN 129 Cb 0.26 -4.42 0.07 0.00 1.24 0.00 0.00 39.78 36.93 1dmo n ASN 129 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1dmo s ILE 130 N -3.13 2.61 0.00 -1.44 1.01 -1.26 -4.94 121.20 114.05 1dmo s ILE 130 Ca 0.30 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.97 1dmo s ILE 130 Cb -0.13 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.18 1dmo s ILE 130 CO 0.37 -0.19 0.00 -0.67 0.00 0.00 0.00 174.94 174.45 1dmo n ASP 131 N -3.04 0.00 0.00 3.58 2.03 -1.26 -5.04 116.55 112.82 1dmo n ASP 131 Ca 0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.38 1dmo n ASP 131 Cb 0.60 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 1dmo n ASP 131 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1dmo n GLY 132 N 0.00 0.81 2.10 0.27 0.00 -1.26 -5.04 105.19 102.06 1dmo n GLY 132 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1dmo n GLY 132 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dmo n ASP 133 N -1.12 -1.79 0.00 1.61 8.00 -1.26 -5.01 116.55 116.99 1dmo n ASP 133 Ca 0.00 0.46 0.00 0.00 0.71 0.00 0.00 54.79 55.96 1dmo n ASP 133 Cb 0.00 1.85 0.00 0.00 -0.02 0.00 0.00 41.12 42.95 1dmo n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dmo n GLY 134 N -0.64 0.88 3.77 0.44 0.00 -1.26 -5.11 105.19 103.28 1dmo n GLY 134 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 2.39 -0.04 1.61 -0.21 -1.26 -1.32 119.66 120.83 1dmo s GLN 135 Ca 0.00 1.18 -0.01 0.00 0.02 0.00 0.00 55.36 56.55 1dmo s GLN 135 Cb 0.00 -1.91 0.03 0.00 1.00 0.00 0.00 33.01 32.13 1dmo s GLN 135 CO 0.00 -1.54 0.08 0.08 -2.12 0.00 0.00 175.29 171.79 1dmo s VAL 136 N -2.84 -0.06 -1.14 1.09 1.01 0.81 -4.71 120.40 114.57 1dmo s VAL 136 Ca 0.62 0.21 -0.20 0.00 0.00 0.00 0.00 61.98 62.62 1dmo s VAL 136 Cb -0.17 -0.16 -0.05 0.00 0.00 0.00 0.00 36.38 36.00 1dmo s VAL 136 CO 0.54 0.09 1.96 -3.20 0.00 0.00 0.00 175.10 174.49 1dmo n ASN 137 N 4.27 3.45 -0.29 3.32 4.05 -1.26 -1.67 115.26 127.14 1dmo n ASN 137 Ca -0.26 -2.77 0.14 0.00 0.45 0.00 0.00 54.58 52.14 1dmo n ASN 137 Cb 0.51 -1.52 0.27 0.00 1.23 0.00 0.00 39.78 40.27 1dmo n ASN 137 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1dmo n TYR 138 N 9.07 0.58 -0.15 1.20 0.18 -1.26 0.59 117.16 127.38 1dmo n TYR 138 Ca 0.49 1.02 -0.03 0.00 1.88 0.00 0.00 57.90 61.26 1dmo n TYR 138 Cb 0.43 -1.16 0.05 0.00 -0.38 0.00 0.00 39.34 38.28 1dmo n TYR 138 CO 0.00 0.00 0.00 1.05 -2.08 0.00 0.00 176.86 175.83 1dmo h GLU 139 N 0.00 0.10 0.00 -3.48 4.11 -1.86 0.91 114.58 114.36 1dmo h GLU 139 Ca 0.53 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.93 1dmo h GLU 139 Cb 1.14 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 1dmo h GLU 139 CO -0.79 0.07 -0.14 0.93 0.07 0.00 0.00 179.01 179.15 1dmo h GLU 140 N 0.11 0.00 0.00 1.06 4.39 -0.25 -2.16 114.58 117.73 1dmo h GLU 140 Ca 0.24 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.82 1dmo h GLU 140 Cb 0.36 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1dmo h GLU 140 CO -0.41 0.14 -0.57 0.35 -1.16 0.00 0.00 179.01 177.37 1dmo h PHE 141 N 0.00 0.00 -0.10 4.33 3.04 0.18 -1.95 116.94 122.44 1dmo h PHE 141 Ca -0.00 0.00 -0.11 0.00 3.98 0.00 0.00 57.97 61.84 1dmo h PHE 141 Cb 0.64 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.14 1dmo h PHE 141 CO 0.00 0.57 -0.42 0.28 -2.02 0.00 0.00 178.31 176.72 1dmo h VAL 142 N 0.00 1.31 0.00 1.41 2.07 0.12 -2.62 116.25 118.55 1dmo h VAL 142 Ca -0.01 -1.54 -0.13 0.00 0.82 0.00 0.00 66.70 65.85 1dmo h VAL 142 Cb 1.25 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.70 1dmo h VAL 142 CO 0.07 0.46 -1.32 0.00 0.02 0.00 0.00 177.57 176.80 1dmo n GLN 143 N -4.02 0.62 0.16 1.57 6.02 -1.17 -3.96 117.38 116.59 1dmo n GLN 143 Ca -0.02 0.20 0.02 0.00 -0.01 0.00 0.00 57.00 57.20 1dmo n GLN 143 Cb 0.48 -1.81 0.23 0.00 1.02 0.00 0.00 30.24 30.16 1dmo n GLN 143 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 177.06 178.03 1dmo h MET 144 N 0.00 0.00 0.00 -1.09 4.05 -1.23 -2.45 114.93 114.21 1dmo h MET 144 Ca -0.13 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.29 1dmo h MET 144 Cb 1.45 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.25 1dmo h MET 144 CO 0.04 0.51 0.00 -1.33 0.23 0.00 0.00 176.91 176.36 1dmo n MET 145 N -3.60 0.50 -0.09 0.39 2.81 -1.00 -3.45 117.12 112.68 1dmo n MET 145 Ca -0.00 0.04 -0.15 0.00 -1.81 0.00 0.00 57.70 55.78 1dmo n MET 145 Cb 0.59 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.55 1dmo n MET 145 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1dmo n THR 146 N -1.12 1.42 -0.85 2.03 -1.04 -0.94 -5.06 114.28 108.72 1dmo n THR 146 Ca 0.13 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1dmo n THR 146 Cb 0.11 -2.09 0.00 0.00 -1.82 0.00 0.00 70.33 66.53 1dmo n THR 146 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1dmo n ALA 147 N -4.25 0.00 1.91 2.41 0.00 -1.09 -5.16 120.51 114.34 1dmo n ALA 147 Ca -0.26 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.34 1dmo n ALA 147 Cb 0.60 0.00 0.88 0.00 0.00 0.00 0.00 19.45 20.93 1dmo n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13