#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 -0.51 -3.56 0.00 5.68 -1.26 -4.77 116.55 112.14 1dmo n ASP 2 Ca 0.00 0.25 -0.01 0.00 -0.50 0.00 0.00 54.79 54.53 1dmo n ASP 2 Cb 0.00 -0.74 -0.05 0.00 -1.14 0.00 0.00 41.12 39.19 1dmo n ASP 2 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 1dmo s GLN 3 N -3.47 0.45 0.00 0.11 0.74 -1.26 -4.81 119.66 111.42 1dmo s GLN 3 Ca 0.00 0.97 0.00 0.00 0.05 0.00 0.00 55.36 56.38 1dmo s GLN 3 Cb 0.00 0.41 0.00 0.00 1.10 0.00 0.00 33.01 34.52 1dmo s GLN 3 CO 0.00 -0.13 0.00 1.28 -0.55 0.00 0.00 175.29 175.89 1dmo n LEU 4 N 4.68 0.00 -4.75 3.68 4.32 -1.26 -5.06 117.00 118.60 1dmo n LEU 4 Ca -0.14 0.00 -0.30 0.00 -0.02 0.00 0.00 56.01 55.55 1dmo n LEU 4 Cb 0.54 0.00 0.11 0.00 -1.62 0.00 0.00 43.42 42.45 1dmo n LEU 4 CO -0.02 -0.10 0.69 0.42 -1.22 0.00 0.00 177.39 177.16 1dmo s THR 5 N 0.74 3.10 0.07 -5.08 -4.23 -1.26 -4.86 115.64 104.11 1dmo s THR 5 Ca 0.00 0.36 -0.28 0.00 -1.18 0.00 0.00 61.69 60.58 1dmo s THR 5 Cb 0.00 -2.88 -0.17 0.00 1.34 0.00 0.00 72.50 70.79 1dmo s THR 5 CO 0.00 -0.47 1.60 -0.08 -0.54 0.00 0.00 174.62 175.13 1dmo h GLU 6 N -1.26 -0.51 -0.24 3.99 4.22 -1.98 -1.54 114.58 117.25 1dmo h GLU 6 Ca -0.46 0.04 0.05 0.00 0.08 0.00 0.00 59.36 59.06 1dmo h GLU 6 Cb 1.25 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.58 1dmo h GLU 6 CO 0.53 -0.31 -0.04 1.05 -2.18 0.00 0.00 179.01 178.07 1dmo h GLU 7 N -0.59 0.03 -0.97 1.92 4.11 -1.99 0.11 114.58 117.19 1dmo h GLU 7 Ca -0.05 -0.00 0.18 0.00 0.07 0.00 0.00 59.36 59.56 1dmo h GLU 7 Cb 0.44 -0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.58 1dmo h GLU 7 CO 0.09 0.02 0.57 1.96 0.07 0.00 0.00 179.01 181.72 1dmo h GLN 8 N 0.03 0.71 0.00 1.06 1.08 -1.91 0.89 115.11 116.97 1dmo h GLN 8 Ca 0.12 -0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 57.21 1dmo h GLN 8 Cb 0.17 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 1dmo h GLN 8 CO -0.23 0.47 -0.30 0.82 -0.95 0.00 0.00 178.83 178.64 1dmo h ILE 9 N 0.73 0.75 -0.01 2.54 2.04 -0.01 -1.35 117.51 122.19 1dmo h ILE 9 Ca 0.56 -1.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.12 1dmo h ILE 9 Cb 0.86 1.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.74 1dmo h ILE 9 CO -0.39 0.29 -0.13 0.00 0.00 0.00 0.00 178.15 177.92 1dmo h ALA 10 N 1.70 0.03 0.00 1.87 0.00 0.31 -2.21 119.26 120.96 1dmo h ALA 10 Ca -0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 1dmo h ALA 10 Cb 0.78 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1dmo h ALA 10 CO 0.04 -0.02 -0.20 1.49 0.00 0.00 0.00 179.25 180.56 1dmo h GLU 11 N -0.55 0.00 0.10 0.00 4.22 -0.76 -2.63 114.58 114.95 1dmo h GLU 11 Ca -0.01 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.42 1dmo h GLU 11 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1dmo h GLU 11 CO 0.03 0.20 -0.05 0.74 -2.18 0.00 0.00 179.01 177.75 1dmo h PHE 12 N 0.00 -0.12 -0.93 0.92 -1.00 -1.19 -2.79 116.94 111.82 1dmo h PHE 12 Ca -0.00 -0.00 0.12 0.00 2.81 0.00 0.00 57.97 60.89 1dmo h PHE 12 Cb 0.47 0.04 -0.07 0.00 3.61 0.00 0.00 35.95 39.99 1dmo h PHE 12 CO 0.00 0.27 0.60 -0.22 -1.61 0.00 0.00 178.31 177.35 1dmo h LYS 13 N -0.54 0.85 0.17 1.51 3.64 -1.16 0.58 116.57 121.61 1dmo h LYS 13 Ca -0.01 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1dmo h LYS 13 Cb 0.44 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 1dmo h LYS 13 CO 0.02 0.56 -0.37 0.93 -2.27 0.00 0.00 179.45 178.32 1dmo h GLU 14 N 0.87 -0.61 0.17 1.90 3.07 -1.32 0.63 114.58 119.28 1dmo h GLU 14 Ca 0.45 0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 59.35 1dmo h GLU 14 Cb 0.52 0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.56 1dmo h GLU 14 CO -0.22 -0.41 -0.12 0.00 -1.40 0.00 0.00 179.01 176.87 1dmo h ALA 15 N -0.10 -0.27 -0.78 3.43 0.00 -1.06 0.25 119.26 120.73 1dmo h ALA 15 Ca 0.02 -0.05 0.22 0.00 0.00 0.00 0.00 54.91 55.10 1dmo h ALA 15 Cb 0.64 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1dmo h ALA 15 CO -0.19 -0.66 0.55 0.35 0.00 0.00 0.00 179.25 179.31 1dmo h PHE 16 N -0.29 0.07 0.00 0.00 3.57 -0.48 0.27 116.94 120.08 1dmo h PHE 16 Ca -0.01 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.29 1dmo h PHE 16 Cb 0.25 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 1dmo h PHE 16 CO -0.10 0.02 -1.17 0.66 -2.23 0.00 0.00 178.31 175.49 1dmo h SER 17 N 0.06 0.00 0.73 0.41 4.64 0.15 -3.24 113.55 116.30 1dmo h SER 17 Ca 0.38 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.69 1dmo h SER 17 Cb 1.41 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.50 1dmo h SER 17 CO -0.03 0.79 -0.03 -0.07 -0.87 0.00 0.00 176.83 176.63 1dmo h LEU 18 N 0.00 0.00 -3.32 5.97 3.38 0.29 -2.73 115.31 118.89 1dmo h LEU 18 Ca -0.12 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.64 1dmo h LEU 18 Cb 1.71 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 42.31 1dmo h LEU 18 CO 0.08 0.03 -0.38 0.49 0.09 0.00 0.00 178.44 178.75 1dmo n PHE 19 N -3.17 1.10 -1.21 1.13 3.72 -0.87 -4.86 117.46 113.30 1dmo n PHE 19 Ca -0.00 -1.76 -0.34 0.00 -0.05 0.00 0.00 57.45 55.29 1dmo n PHE 19 Cb 0.26 -0.40 -0.04 0.00 -0.94 0.00 0.00 39.48 38.35 1dmo n PHE 19 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1dmo n ASP 20 N -1.02 7.96 0.06 4.37 2.03 -1.03 -4.64 116.55 124.27 1dmo n ASP 20 Ca 0.31 -2.53 -0.11 0.00 0.52 0.00 0.00 54.79 52.98 1dmo n ASP 20 Cb 0.87 -1.49 -0.04 0.00 -0.72 0.00 0.00 41.12 39.73 1dmo n ASP 20 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1dmo h LYS 21 N 4.95 -0.29 -0.24 -0.67 3.11 -1.89 -3.05 116.57 118.48 1dmo h LYS 21 Ca 0.76 0.02 0.03 0.00 -2.81 0.00 0.00 60.65 58.65 1dmo h LYS 21 Cb 0.39 0.07 -0.04 0.00 -1.00 0.00 0.00 32.23 31.65 1dmo h LYS 21 CO 1.59 -0.19 -0.26 0.22 -2.81 0.00 0.00 179.45 178.00 1dmo h ASP 22 N -0.30 -0.88 0.00 4.20 3.58 -1.82 -3.46 116.42 117.74 1dmo h ASP 22 Ca 0.06 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.63 1dmo h ASP 22 Cb 0.37 0.37 0.00 0.00 1.72 0.00 0.00 39.33 41.79 1dmo h ASP 22 CO -0.17 -0.17 0.00 0.61 -2.88 0.00 0.00 179.24 176.63 1dmo n GLY 23 N -1.16 0.68 0.10 -0.78 0.00 -1.15 -4.92 105.19 97.96 1dmo n GLY 23 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1dmo n GLY 23 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1dmo n ASP 24 N 0.00 0.15 -0.39 1.61 2.03 -1.26 -4.75 116.55 113.93 1dmo n ASP 24 Ca 0.00 -1.43 0.00 0.00 0.52 0.00 0.00 54.79 53.88 1dmo n ASP 24 Cb 0.00 -0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 1dmo n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1dmo n GLY 25 N 0.20 0.89 3.46 0.27 0.00 -1.26 -5.06 105.19 103.69 1dmo n GLY 25 Ca 0.00 -0.66 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.78 0.04 0.16 2.61 -4.23 -1.26 -4.05 115.64 106.12 1dmo s THR 26 Ca 0.00 -1.18 0.08 0.00 -1.18 0.00 0.00 61.69 59.41 1dmo s THR 26 Cb 0.00 -1.83 -0.04 0.00 1.34 0.00 0.00 72.50 71.97 1dmo s THR 26 CO 0.00 -0.17 -0.16 0.27 -0.54 0.00 0.00 174.62 174.02 1dmo s ILE 27 N -3.95 1.69 0.08 2.99 -4.36 -0.11 -4.01 121.20 113.53 1dmo s ILE 27 Ca 0.15 -1.93 -0.06 0.00 -0.26 0.00 0.00 60.65 58.56 1dmo s ILE 27 Cb 0.01 -1.81 -0.05 0.00 1.25 0.00 0.00 42.46 41.85 1dmo s ILE 27 CO 0.01 -0.39 0.33 0.42 0.24 0.00 0.00 174.94 175.55 1dmo s THR 28 N -2.25 5.22 0.58 8.37 -4.23 -1.26 0.05 115.64 122.11 1dmo s THR 28 Ca 0.15 0.13 0.30 0.00 -1.18 0.00 0.00 61.69 61.10 1dmo s THR 28 Cb -0.04 -3.61 0.44 0.00 1.34 0.00 0.00 72.50 70.63 1dmo s THR 28 CO 0.06 0.21 1.30 0.35 -0.54 0.00 0.00 174.62 176.00 1dmo n THR 29 N 0.64 0.00 -0.12 3.99 -2.24 -1.26 0.88 114.28 116.18 1dmo n THR 29 Ca -0.07 1.26 -0.13 0.00 -2.27 0.00 0.00 64.05 62.84 1dmo n THR 29 Cb 0.52 -2.22 -0.03 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 0.90 -0.00 -0.78 2.10 -1.93 -3.00 116.57 113.86 1dmo h LYS 30 Ca 0.56 -0.48 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 1dmo h LYS 30 Cb 3.00 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 34.35 1dmo h LYS 30 CO -0.01 1.13 -0.26 0.39 -2.00 0.00 0.00 179.45 178.70 1dmo n GLU 31 N -4.09 0.09 -0.01 0.07 1.02 0.26 -4.29 120.64 113.68 1dmo n GLU 31 Ca -0.03 -0.03 -0.05 0.00 -0.02 0.00 0.00 57.16 57.03 1dmo n GLU 31 Cb 0.54 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.42 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 0.08 -0.64 -0.99 -4.62 5.85 -1.26 -0.70 115.31 113.03 1dmo h LEU 32 Ca 0.00 0.08 0.34 0.00 0.84 0.00 0.00 57.88 59.14 1dmo h LEU 32 Cb 0.49 0.25 -0.16 0.00 0.37 0.00 0.00 40.66 41.61 1dmo h LEU 32 CO 0.00 -0.17 0.50 1.23 -0.34 0.00 0.00 178.44 179.66 1dmo h GLY 33 N -0.20 2.02 1.07 3.75 0.00 -1.75 0.64 103.07 108.60 1dmo h GLY 33 Ca 0.01 -0.17 -0.08 0.00 0.00 0.00 0.00 47.33 47.09 1dmo h GLY 33 CO -0.17 -0.58 0.11 -0.84 0.00 0.00 0.00 176.54 175.07 1dmo h THR 34 N 0.20 1.26 -0.26 4.70 2.02 -1.44 -1.96 112.91 117.44 1dmo h THR 34 Ca 0.75 -1.03 -0.07 0.00 0.77 0.00 0.00 66.41 66.82 1dmo h THR 34 Cb 1.77 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.80 1dmo h THR 34 CO -0.68 0.39 -0.12 0.58 0.37 0.00 0.00 175.52 176.06 1dmo h VAL 35 N 1.04 1.30 -0.57 3.16 2.07 0.16 -2.08 116.25 121.33 1dmo h VAL 35 Ca 0.21 -1.20 0.04 0.00 0.82 0.00 0.00 66.70 66.57 1dmo h VAL 35 Cb 0.44 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 1dmo h VAL 35 CO 0.01 0.38 0.38 0.24 0.02 0.00 0.00 177.57 178.59 1dmo h MET 36 N 0.27 0.59 -0.00 1.57 2.86 -0.99 -1.04 114.93 118.18 1dmo h MET 36 Ca 0.06 -0.04 -0.16 0.00 -2.06 0.00 0.00 59.70 57.50 1dmo h MET 36 Cb 0.63 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 1dmo h MET 36 CO 0.04 0.39 -0.75 -0.09 1.06 0.00 0.00 176.91 177.56 1dmo h ARG 37 N 0.61 0.04 -0.26 1.72 2.43 -1.16 -3.14 114.38 114.61 1dmo h ARG 37 Ca 0.24 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.28 1dmo h ARG 37 Cb 0.17 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1dmo h ARG 37 CO -0.07 0.77 -0.21 0.77 -1.51 0.00 0.00 179.97 179.72 1dmo h SER 38 N 0.02 0.47 -1.01 -3.80 0.02 -0.49 -2.79 113.55 105.97 1dmo h SER 38 Ca -0.01 -0.15 0.25 0.00 -0.84 0.00 0.00 61.79 61.04 1dmo h SER 38 Cb 1.32 -0.13 -0.09 0.00 0.14 0.00 0.00 62.40 63.65 1dmo h SER 38 CO 0.10 0.69 0.66 -0.07 -1.14 0.00 0.00 176.83 177.07 1dmo h LEU 39 N 0.43 0.43 0.00 5.07 4.07 -1.39 -3.46 115.31 120.46 1dmo h LEU 39 Ca 0.07 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.10 1dmo h LEU 39 Cb 0.61 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.35 1dmo h LEU 39 CO 0.04 0.11 0.00 0.61 -1.08 0.00 0.00 178.44 178.12 1dmo n GLY 40 N -1.49 3.77 3.92 0.83 0.00 -1.05 -5.05 105.19 106.12 1dmo n GLY 40 Ca 0.24 -0.58 -0.26 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 2.67 -0.36 1.61 -0.21 -1.26 -5.04 119.66 117.07 1dmo s GLN 41 Ca 0.00 -0.09 -0.14 0.00 0.02 0.00 0.00 55.36 55.14 1dmo s GLN 41 Cb 0.00 -2.24 -0.01 0.00 1.00 0.00 0.00 33.01 31.77 1dmo s GLN 41 CO 0.00 -0.89 0.30 1.21 -2.12 0.00 0.00 175.29 173.80 1dmo s ASN 42 N -4.38 6.12 0.34 5.90 3.84 -1.26 -4.31 114.94 121.20 1dmo s ASN 42 Ca 0.56 -0.43 0.00 0.00 0.21 0.00 0.00 52.86 53.20 1dmo s ASN 42 Cb -0.11 -2.17 0.00 0.00 -0.55 0.00 0.00 41.25 38.43 1dmo s ASN 42 CO 0.45 -0.32 0.00 -0.81 -2.79 0.00 0.00 177.10 173.63 1dmo n PRO 43 N 5.25 0.23 -3.67 0.43 -0.04 -1.26 -5.05 135.00 130.88 1dmo n PRO 43 Ca -0.11 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.08 1dmo n PRO 43 Cb 0.49 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.79 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 -0.34 0.25 0.61 0.52 2.01 -1.26 -4.99 115.64 112.44 1dmo s THR 44 Ca 0.00 -0.44 0.26 0.00 0.31 0.00 0.00 61.69 61.82 1dmo s THR 44 Cb 0.00 -0.86 0.36 0.00 0.01 0.00 0.00 72.50 72.01 1dmo s THR 44 CO 0.00 -0.29 1.48 1.05 -0.69 0.00 0.00 174.62 176.18 1dmo h GLU 45 N 8.32 0.00 0.00 4.92 -0.00 -1.97 0.18 114.58 126.03 1dmo h GLU 45 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.20 1dmo h GLU 45 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.87 1dmo h GLU 45 CO 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 179.01 179.34 1dmo n ALA 46 N -2.21 -0.10 -0.27 1.06 0.00 -1.26 -2.27 120.51 115.45 1dmo n ALA 46 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.65 1dmo n ALA 46 Cb 1.20 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.84 1dmo n ALA 46 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1dmo h GLU 47 N 0.00 0.57 -0.81 0.00 4.39 -1.84 0.35 114.58 117.25 1dmo h GLU 47 Ca 0.00 -0.03 0.18 0.00 0.34 0.00 0.00 59.36 59.85 1dmo h GLU 47 Cb 0.00 -0.13 -0.12 0.00 -0.10 0.00 0.00 28.75 28.41 1dmo h GLU 47 CO 0.00 0.38 0.27 1.25 -1.16 0.00 0.00 179.01 179.74 1dmo h LEU 48 N 0.59 0.15 -0.40 1.33 5.85 -0.79 0.26 115.31 122.30 1dmo h LEU 48 Ca 0.41 0.15 0.01 0.00 0.84 0.00 0.00 57.88 59.29 1dmo h LEU 48 Cb 0.54 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1dmo h LEU 48 CO -0.34 -0.02 0.25 -0.61 -0.34 0.00 0.00 178.44 177.39 1dmo h GLN 49 N 0.33 0.49 -0.13 1.25 -0.00 0.12 -0.93 115.11 116.25 1dmo h GLN 49 Ca 0.47 -0.03 0.04 0.00 -0.00 0.00 0.00 58.65 59.13 1dmo h GLN 49 Cb 0.84 -0.11 -0.01 0.00 0.00 0.00 0.00 27.48 28.20 1dmo h GLN 49 CO -0.52 0.33 0.16 0.22 0.00 0.00 0.00 178.83 179.02 1dmo h ASP 50 N 0.51 0.00 0.54 -0.69 1.82 0.14 -1.15 116.42 117.59 1dmo h ASP 50 Ca 0.15 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.50 1dmo h ASP 50 Cb -0.03 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 39.97 1dmo h ASP 50 CO -0.05 0.00 -1.45 0.24 -1.61 0.00 0.00 179.24 176.37 1dmo h MET 51 N 0.00 0.19 -0.48 0.28 2.86 -0.23 -3.28 114.93 114.27 1dmo h MET 51 Ca 0.06 -0.33 -0.02 0.00 -2.06 0.00 0.00 59.70 57.35 1dmo h MET 51 Cb 0.38 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 1dmo h MET 51 CO -0.00 1.05 0.23 0.82 1.06 0.00 0.00 176.91 180.07 1dmo h ILE 52 N 0.05 1.19 -0.23 -1.22 5.03 -0.39 -2.21 117.51 119.73 1dmo h ILE 52 Ca -0.21 -0.55 -0.00 0.00 -0.12 0.00 0.00 64.86 63.98 1dmo h ILE 52 Cb 1.98 0.66 -0.01 0.00 -3.03 0.00 0.00 36.82 36.42 1dmo h ILE 52 CO 0.15 0.21 0.13 -1.13 -0.68 0.00 0.00 178.15 176.84 1dmo h ASN 53 N 0.63 0.28 0.56 1.72 -1.24 -1.60 0.23 115.58 116.16 1dmo h ASN 53 Ca 0.16 -0.01 -0.03 0.00 0.71 0.00 0.00 56.30 57.14 1dmo h ASN 53 Cb 0.13 -0.07 0.01 0.00 0.73 0.00 0.00 38.32 39.11 1dmo h ASN 53 CO -0.02 0.22 -0.27 -0.08 -1.29 0.00 0.00 177.43 175.99 1dmo h GLU 54 N 0.32 -0.73 0.00 6.67 4.81 -1.47 -2.15 114.58 122.03 1dmo h GLU 54 Ca 0.08 0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1dmo h GLU 54 Cb 0.00 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1dmo h GLU 54 CO -0.02 -0.43 -0.19 -0.39 -0.73 0.00 0.00 179.01 177.26 1dmo h VAL 55 N -1.08 0.72 -0.98 0.32 -1.51 -1.31 -2.55 116.25 109.87 1dmo h VAL 55 Ca -0.08 -0.81 -0.56 0.00 -1.23 0.00 0.00 66.70 64.02 1dmo h VAL 55 Cb 0.64 1.50 -0.30 0.00 -2.13 0.00 0.00 31.29 31.01 1dmo h VAL 55 CO 0.13 0.19 0.72 -0.67 -1.23 0.00 0.00 177.57 176.71 1dmo n ASP 56 N -3.69 5.08 0.00 4.19 -0.08 0.80 -4.06 116.55 118.79 1dmo n ASP 56 Ca -0.01 -3.63 0.00 0.00 -1.51 0.00 0.00 54.79 49.63 1dmo n ASP 56 Cb 0.31 -0.88 0.00 0.00 2.34 0.00 0.00 41.12 42.89 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 -1.02 0.00 -2.38 -1.67 0.00 -0.82 -4.82 120.51 109.80 1dmo n ALA 57 Ca 0.60 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 54.03 1dmo n ALA 57 Cb 1.31 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.76 1dmo n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1dmo n ASP 58 N -0.31 0.29 0.00 0.00 5.75 -1.26 -4.98 116.55 116.03 1dmo n ASP 58 Ca 0.00 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 1dmo n ASP 58 Cb 0.00 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 1dmo n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dmo n GLY 59 N 0.14 -0.34 1.37 6.12 0.00 -1.26 -5.07 105.19 106.14 1dmo n GLY 59 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1dmo n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1dmo n ASN 60 N -2.02 0.00 0.00 1.61 4.13 -1.26 -5.09 115.26 112.63 1dmo n ASN 60 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1dmo n ASN 60 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1dmo n ASN 60 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1dmo n GLY 61 N 1.68 4.09 3.79 7.41 0.00 -1.26 -5.00 105.19 115.91 1dmo n GLY 61 Ca 0.00 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 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 1.98 -0.07 2.61 -4.23 -1.26 -4.08 115.64 110.59 1dmo s THR 62 Ca 0.00 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.52 1dmo s THR 62 Cb 0.00 -2.76 0.02 0.00 1.34 0.00 0.00 72.50 71.10 1dmo s THR 62 CO 0.00 0.00 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.36 1dmo s ILE 63 N -3.31 0.95 0.53 2.99 1.01 0.11 -4.87 121.20 118.60 1dmo s ILE 63 Ca 0.65 -0.35 -0.04 0.00 0.00 0.00 0.00 60.65 60.91 1dmo s ILE 63 Cb -0.14 -0.90 -0.00 0.00 0.01 0.00 0.00 42.46 41.43 1dmo s ILE 63 CO 0.53 0.32 0.81 -0.62 0.00 0.00 0.00 174.94 175.98 1dmo s ASP 64 N 0.90 5.76 0.21 3.58 -1.08 -1.26 -0.94 116.67 123.84 1dmo s ASP 64 Ca -0.11 0.60 -0.10 0.00 -0.52 0.00 0.00 52.55 52.42 1dmo s ASP 64 Cb -0.15 -1.72 0.28 0.00 -1.46 0.00 0.00 42.92 39.87 1dmo s ASP 64 CO 0.01 -0.88 1.72 0.15 0.52 0.00 0.00 175.17 176.69 1dmo h PHE 65 N 0.07 0.26 0.04 -5.34 3.57 -1.97 -0.99 116.94 112.58 1dmo h PHE 65 Ca -0.46 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.10 1dmo h PHE 65 Cb 1.25 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.92 1dmo h PHE 65 CO 0.48 0.01 -0.24 -1.35 -2.23 0.00 0.00 178.31 174.99 1dmo h PRO 66 N 0.30 -0.38 -0.66 6.41 0.10 -1.94 -2.04 132.00 133.80 1dmo h PRO 66 Ca 0.30 0.03 0.07 0.00 0.10 0.00 0.00 66.00 66.50 1dmo h PRO 66 Cb 0.42 0.09 -0.06 0.00 0.10 0.00 0.00 31.00 31.55 1dmo h PRO 66 CO -0.36 -0.25 0.35 0.93 0.10 0.00 0.00 178.00 178.77 1dmo h GLU 67 N -0.39 0.61 -0.98 1.05 5.08 -1.85 0.31 114.58 118.42 1dmo h GLU 67 Ca 0.05 -0.04 0.22 0.00 -1.00 0.00 0.00 59.36 58.60 1dmo h GLU 67 Cb 0.45 -0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.48 1dmo h GLU 67 CO -0.18 0.41 0.63 0.35 -1.00 0.00 0.00 179.01 179.21 1dmo h PHE 68 N 0.63 0.68 0.66 4.33 3.04 -0.50 -0.72 116.94 125.06 1dmo h PHE 68 Ca 0.31 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.25 1dmo h PHE 68 Cb 0.24 -0.20 0.01 0.00 2.56 0.00 0.00 35.95 38.55 1dmo h PHE 68 CO -0.09 0.13 -0.32 -0.07 -2.02 0.00 0.00 178.31 175.94 1dmo h LEU 69 N 0.47 -0.75 -0.94 0.59 3.38 -0.41 0.17 115.31 117.82 1dmo h LEU 69 Ca 0.54 -0.01 0.27 0.00 0.09 0.00 0.00 57.88 58.77 1dmo h LEU 69 Cb 1.25 0.19 -0.15 0.00 0.09 0.00 0.00 40.66 42.04 1dmo h LEU 69 CO -0.26 -0.46 0.37 0.74 0.09 0.00 0.00 178.44 178.92 1dmo h THR 70 N -1.02 0.30 0.00 0.22 2.02 -0.93 1.20 112.91 114.69 1dmo h THR 70 Ca -0.09 -0.09 -0.14 0.00 0.77 0.00 0.00 66.41 66.87 1dmo h THR 70 Cb 0.71 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 1dmo h THR 70 CO 0.15 0.05 -0.66 0.24 0.37 0.00 0.00 175.52 175.67 1dmo h MET 71 N 0.25 0.00 0.00 6.66 2.86 -1.04 -2.65 114.93 121.01 1dmo h MET 71 Ca 0.63 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 58.25 1dmo h MET 71 Cb 1.36 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.01 1dmo h MET 71 CO -0.65 0.66 -0.10 1.98 1.06 0.00 0.00 176.91 179.87 1dmo h MET 72 N 0.00 0.00 0.17 1.72 -1.53 0.41 -3.17 114.93 112.54 1dmo h MET 72 Ca -0.01 0.00 -0.25 0.00 -3.44 0.00 0.00 59.70 56.00 1dmo h MET 72 Cb 1.28 0.00 0.02 0.00 -0.55 0.00 0.00 31.60 32.35 1dmo h MET 72 CO 0.09 0.10 -1.17 0.00 0.14 0.00 0.00 176.91 176.06 1dmo h ALA 73 N 1.90 -0.05 -0.03 0.39 0.00 0.43 -3.04 119.26 118.86 1dmo h ALA 73 Ca -0.00 -0.84 0.02 0.00 0.00 0.00 0.00 54.91 54.08 1dmo h ALA 73 Cb 1.02 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1dmo h ALA 73 CO 0.01 0.59 -0.07 0.00 0.00 0.00 0.00 179.25 179.78 1dmo h ARG 74 N -0.19 -0.10 0.00 0.00 3.08 -1.53 2.53 114.38 118.16 1dmo h ARG 74 Ca -0.22 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 1dmo h ARG 74 Cb 1.84 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.91 1dmo h ARG 74 CO 0.17 -0.07 -0.02 -0.22 -1.07 0.00 0.00 179.97 178.76 1dmo h LYS 75 N -0.11 0.00 -0.33 0.04 3.11 -1.68 -0.45 116.57 117.15 1dmo h LYS 75 Ca 0.04 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.88 1dmo h LYS 75 Cb 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.39 1dmo h LYS 75 CO -0.09 0.02 0.00 -1.33 -2.81 0.00 0.00 179.45 175.23 1dmo n MET 76 N -3.98 3.01 0.21 1.90 2.81 -0.10 -4.47 117.12 116.50 1dmo n MET 76 Ca -0.03 -2.56 0.08 0.00 -1.81 0.00 0.00 57.70 53.39 1dmo n MET 76 Cb 0.10 -1.64 0.43 0.00 -0.71 0.00 0.00 33.22 31.40 1dmo n MET 76 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1dmo h LYS 77 N 2.09 0.00 -0.36 0.03 3.64 0.60 -1.30 116.57 121.27 1dmo h LYS 77 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1dmo h LYS 77 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1dmo h LYS 77 CO 0.15 0.27 0.00 -0.40 -2.27 0.00 0.00 179.45 177.20 1dmo n ASP 78 N -3.49 2.06 0.00 4.20 5.75 -1.26 -5.00 116.55 118.81 1dmo n ASP 78 Ca -0.00 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.82 1dmo n ASP 78 Cb 0.44 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 1dmo n ASP 78 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1dmo n THR 79 N 0.62 0.00 -1.75 2.12 -1.04 -0.49 -4.70 114.28 109.03 1dmo n THR 79 Ca 0.14 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.13 1dmo n THR 79 Cb 0.33 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.83 1dmo n THR 79 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1dmo n ASP 80 N -3.31 -0.25 0.00 8.00 8.00 -1.26 -4.95 116.55 122.78 1dmo n ASP 80 Ca 0.00 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.56 1dmo n ASP 80 Cb 0.00 0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 1dmo n ASP 80 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1dmo n SER 81 N 0.00 1.77 -0.22 -2.24 7.64 -1.26 -4.74 113.62 114.56 1dmo n SER 81 Ca -0.07 0.00 0.26 0.00 1.01 0.00 0.00 58.87 60.07 1dmo n SER 81 Cb 0.42 0.08 0.64 0.00 -1.01 0.00 0.00 64.21 64.34 1dmo n SER 81 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1dmo h GLU 82 N 0.00 0.15 -0.38 1.43 5.08 -1.91 0.28 114.58 119.23 1dmo h GLU 82 Ca 0.00 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1dmo h GLU 82 Cb 0.40 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1dmo h GLU 82 CO 0.00 0.10 -0.21 0.93 -1.00 0.00 0.00 179.01 178.83 1dmo h GLU 83 N 0.16 0.82 -0.79 2.33 3.07 -1.91 0.32 114.58 118.57 1dmo h GLU 83 Ca 0.47 -0.37 -0.05 0.00 -0.50 0.00 0.00 59.36 58.91 1dmo h GLU 83 Cb 1.58 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 29.44 1dmo h GLU 83 CO -0.09 1.00 0.31 1.49 -1.40 0.00 0.00 179.01 180.32 1dmo h GLU 84 N 0.62 1.19 -0.02 2.33 4.57 -0.78 -2.07 114.58 120.42 1dmo h GLU 84 Ca 0.08 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.04 1dmo h GLU 84 Cb 0.77 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 29.17 1dmo h GLU 84 CO 0.06 0.96 -0.02 0.82 -1.18 0.00 0.00 179.01 179.66 1dmo h ILE 85 N 1.16 1.39 -1.01 2.32 2.04 -1.17 -2.51 117.51 119.73 1dmo h ILE 85 Ca 0.26 -1.18 0.24 0.00 1.00 0.00 0.00 64.86 65.18 1dmo h ILE 85 Cb 0.22 2.16 -0.09 0.00 -0.74 0.00 0.00 36.82 38.37 1dmo h ILE 85 CO -0.02 0.31 0.64 -0.09 0.00 0.00 0.00 178.15 178.99 1dmo h ARG 86 N -0.45 0.46 -0.07 2.37 2.43 -0.79 0.43 114.38 118.77 1dmo h ARG 86 Ca 0.00 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1dmo h ARG 86 Cb 0.52 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1dmo h ARG 86 CO 0.00 0.30 -0.03 1.49 -1.51 0.00 0.00 179.97 180.23 1dmo h GLU 87 N 0.47 0.15 -1.14 0.20 4.81 -1.25 -1.28 114.58 116.53 1dmo h GLU 87 Ca 0.57 -0.06 0.33 0.00 -0.13 0.00 0.00 59.36 60.07 1dmo h GLU 87 Cb 1.32 -0.01 -0.11 0.00 0.63 0.00 0.00 28.75 30.58 1dmo h GLU 87 CO -0.30 0.51 0.73 0.00 -0.73 0.00 0.00 179.01 179.23 1dmo h ALA 88 N 0.63 2.41 0.04 2.92 0.00 -0.47 0.23 119.26 125.03 1dmo h ALA 88 Ca 0.02 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1dmo h ALA 88 Cb 0.47 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1dmo h ALA 88 CO 0.01 -0.91 -0.47 0.74 0.00 0.00 0.00 179.25 178.63 1dmo h PHE 89 N 0.27 0.39 -1.34 0.00 0.04 -1.19 -3.20 116.94 111.91 1dmo h PHE 89 Ca 0.68 -0.24 0.39 0.00 2.80 0.00 0.00 57.97 61.60 1dmo h PHE 89 Cb 1.91 -0.03 -0.05 0.00 2.20 0.00 0.00 35.95 39.98 1dmo h PHE 89 CO -0.00 1.11 1.02 -0.09 -0.60 0.00 0.00 178.31 179.75 1dmo h ARG 90 N -0.45 0.00 0.00 1.51 2.43 0.63 0.50 114.38 119.01 1dmo h ARG 90 Ca -0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1dmo h ARG 90 Cb 1.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1dmo h ARG 90 CO 0.09 0.00 0.00 0.28 -1.51 0.00 0.00 179.97 178.83 1dmo n VAL 91 N -3.97 0.00 -1.19 0.20 0.31 -0.80 -1.07 118.33 111.81 1dmo n VAL 91 Ca 0.29 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.62 1dmo n VAL 91 Cb 1.45 -0.92 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 1dmo n VAL 91 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1dmo n PHE 92 N -0.86 0.00 0.21 3.52 3.72 0.18 -4.87 117.46 119.35 1dmo n PHE 92 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1dmo n PHE 92 Cb 0.00 0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 1dmo n PHE 92 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1dmo n ASP 93 N 0.00 2.92 -0.05 4.37 5.75 -0.23 -3.22 116.55 126.09 1dmo n ASP 93 Ca 0.00 -1.70 -0.03 0.00 -0.01 0.00 0.00 54.79 53.05 1dmo n ASP 93 Cb 0.51 -0.57 -0.10 0.00 -1.03 0.00 0.00 41.12 39.93 1dmo n ASP 93 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1dmo n LYS 94 N 1.11 1.52 -0.94 0.11 5.02 -1.26 -4.32 118.16 119.41 1dmo n LYS 94 Ca 0.00 -0.04 -0.20 0.00 -2.02 0.00 0.00 58.31 56.06 1dmo n LYS 94 Cb 0.36 -1.33 0.09 0.00 -0.02 0.00 0.00 35.03 34.13 1dmo n LYS 94 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1dmo n ASP 95 N -2.34 5.08 0.00 4.39 5.75 -1.20 -4.81 116.55 123.42 1dmo n ASP 95 Ca -0.16 -3.20 0.00 0.00 -0.01 0.00 0.00 54.79 51.42 1dmo n ASP 95 Cb 0.77 -0.87 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 1dmo n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dmo n GLY 96 N -0.39 -1.77 0.00 6.12 0.00 -1.26 -4.97 105.19 102.91 1dmo n GLY 96 Ca 0.41 0.78 0.00 0.00 0.00 0.00 0.00 46.02 47.22 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 0.00 0.00 -0.04 1.61 2.85 -1.26 -4.98 115.26 113.44 1dmo n ASN 97 Ca 0.00 0.00 0.02 0.00 -0.11 0.00 0.00 54.58 54.49 1dmo n ASN 97 Cb 0.00 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 40.88 1dmo n ASN 97 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1dmo n GLY 98 N 0.00 -0.84 3.67 8.20 0.00 -1.26 -4.76 105.19 110.20 1dmo n GLY 98 Ca 0.00 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.92 3.36 0.34 1.61 1.51 -1.26 -3.99 117.35 115.99 1dmo s TYR 99 Ca -0.07 0.49 0.01 0.00 -1.01 0.00 0.00 57.07 56.49 1dmo s TYR 99 Cb 0.09 -2.44 -0.03 0.00 -0.11 0.00 0.00 41.96 39.47 1dmo s TYR 99 CO 0.73 0.02 0.53 0.96 -1.11 0.00 0.00 175.55 176.68 1dmo s ILE 100 N 1.22 5.09 0.59 2.71 -4.36 -0.46 -4.63 121.20 121.36 1dmo s ILE 100 Ca 0.15 -0.53 -0.18 0.00 -0.26 0.00 0.00 60.65 59.84 1dmo s ILE 100 Cb -0.14 -3.85 -0.04 0.00 1.25 0.00 0.00 42.46 39.68 1dmo s ILE 100 CO 0.07 -0.53 1.12 -0.94 0.24 0.00 0.00 174.94 174.90 1dmo s SER 101 N -4.03 5.47 0.45 4.36 1.04 -1.26 0.45 113.70 120.18 1dmo s SER 101 Ca 0.39 2.12 0.25 0.00 0.48 0.00 0.00 55.95 59.19 1dmo s SER 101 Cb -0.10 -2.57 0.68 0.00 0.10 0.00 0.00 66.02 64.13 1dmo s SER 101 CO 0.35 -1.39 1.72 0.00 0.98 0.00 0.00 173.24 174.91 1dmo h ALA 102 N 0.75 0.96 0.30 5.32 0.00 0.14 -2.23 119.26 124.49 1dmo h ALA 102 Ca -0.49 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1dmo h ALA 102 Cb 1.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1dmo h ALA 102 CO 0.56 0.14 -0.14 0.00 0.00 0.00 0.00 179.25 179.81 1dmo h ALA 103 N 1.89 -0.53 -0.94 0.00 0.00 -1.91 -2.40 119.26 115.37 1dmo h ALA 103 Ca -0.00 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 54.99 1dmo h ALA 103 Cb 0.88 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.75 1dmo h ALA 103 CO 0.01 -0.50 0.60 1.49 0.00 0.00 0.00 179.25 180.85 1dmo h GLU 104 N -0.80 0.64 -0.56 0.00 4.57 -1.97 0.20 114.58 116.68 1dmo h GLU 104 Ca -0.04 -0.04 0.09 0.00 -1.18 0.00 0.00 59.36 58.19 1dmo h GLU 104 Cb 0.31 -0.14 -0.07 0.00 -0.16 0.00 0.00 28.75 28.68 1dmo h GLU 104 CO 0.07 0.42 0.17 1.25 -1.18 0.00 0.00 179.01 179.75 1dmo h LEU 105 N 0.66 0.14 -1.72 1.64 6.46 -1.39 0.71 115.31 121.81 1dmo h LEU 105 Ca 0.50 0.08 0.15 0.00 -0.12 0.00 0.00 57.88 58.48 1dmo h LEU 105 Cb 0.88 0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.85 1dmo h LEU 105 CO -0.25 0.09 0.46 -0.09 -0.62 0.00 0.00 178.44 178.03 1dmo h ARG 106 N 0.34 0.27 -0.08 1.25 2.43 -0.07 0.40 114.38 118.92 1dmo h ARG 106 Ca 0.28 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 59.26 1dmo h ARG 106 Cb 0.35 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1dmo h ARG 106 CO -0.31 0.18 -0.69 1.25 -1.51 0.00 0.00 179.97 178.89 1dmo h HIS 107 N 0.28 0.48 -0.64 2.20 2.76 0.58 -3.11 115.15 117.70 1dmo h HIS 107 Ca 0.33 -0.21 -0.03 0.00 -2.20 0.00 0.00 60.37 58.26 1dmo h HIS 107 Cb 0.88 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.74 1dmo h HIS 107 CO -0.00 0.94 0.29 0.28 -1.30 0.00 0.00 177.93 178.13 1dmo h VAL 108 N 0.25 1.23 -0.00 5.26 2.07 0.22 -0.92 116.25 124.36 1dmo h VAL 108 Ca -0.02 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1dmo h VAL 108 Cb 1.24 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1dmo h VAL 108 CO 0.12 0.27 0.00 0.24 0.02 0.00 0.00 177.57 178.22 1dmo h MET 109 N 0.89 0.00 -0.17 1.57 2.07 -1.22 -0.76 114.93 117.30 1dmo h MET 109 Ca 0.22 0.00 -0.22 0.00 -2.07 0.00 0.00 59.70 57.63 1dmo h MET 109 Cb 0.15 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 29.89 1dmo h MET 109 CO -0.02 0.00 -0.73 1.15 1.07 0.00 0.00 176.91 178.37 1dmo h THR 110 N 0.00 1.28 -0.42 2.22 2.02 -1.13 0.43 112.91 117.31 1dmo h THR 110 Ca 0.00 -1.92 0.01 0.00 0.77 0.00 0.00 66.41 65.27 1dmo h THR 110 Cb 0.01 1.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 1dmo h THR 110 CO -0.00 0.61 0.26 -1.13 0.37 0.00 0.00 175.52 175.64 1dmo h ASN 111 N 0.55 0.45 0.08 4.18 -0.73 -0.71 -3.28 115.58 116.13 1dmo h ASN 111 Ca -0.04 -0.01 -0.00 0.00 1.87 0.00 0.00 56.30 58.12 1dmo h ASN 111 Cb 1.36 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 39.85 1dmo h ASN 111 CO 0.15 0.32 -0.04 -0.07 -0.37 0.00 0.00 177.43 177.43 1dmo h LEU 112 N 0.54 -0.09 0.91 0.34 3.38 -1.44 -3.45 115.31 115.50 1dmo h LEU 112 Ca 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1dmo h LEU 112 Cb -0.04 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1dmo h LEU 112 CO -0.05 0.14 -0.03 0.61 0.09 0.00 0.00 178.44 179.20 1dmo n GLY 113 N 1.36 0.16 0.53 0.83 0.00 0.15 -4.65 105.19 103.57 1dmo n GLY 113 Ca -0.01 0.00 0.35 0.00 0.00 0.00 0.00 46.02 46.35 1dmo n GLY 113 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1dmo h GLU 114 N 0.00 0.00 0.00 1.61 4.11 -1.87 -3.29 114.58 115.13 1dmo h GLU 114 Ca -0.03 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.35 1dmo h GLU 114 Cb 0.12 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1dmo h GLU 114 CO 0.05 0.00 -0.10 1.17 0.07 0.00 0.00 179.01 180.20 1dmo n LYS 115 N -4.15 0.01 -4.03 1.06 3.00 -1.26 -5.12 118.16 107.67 1dmo n LYS 115 Ca 0.25 -0.33 -0.34 0.00 -0.00 0.00 0.00 58.31 57.89 1dmo n LYS 115 Cb 1.23 0.49 -0.15 0.00 0.00 0.00 0.00 35.03 36.61 1dmo n LYS 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1dmo s LEU 116 N -0.02 2.76 0.00 3.14 1.43 -1.24 -5.12 118.68 119.63 1dmo s LEU 116 Ca 0.00 -0.79 -0.07 0.00 -1.03 0.00 0.00 54.13 52.24 1dmo s LEU 116 Cb 0.00 -1.59 0.11 0.00 0.03 0.00 0.00 46.19 44.74 1dmo s LEU 116 CO -0.00 -0.07 0.66 1.07 0.23 0.00 0.00 176.35 178.24 1dmo n THR 117 N 4.64 0.00 0.06 5.49 5.66 -1.26 -4.71 114.28 124.16 1dmo n THR 117 Ca -0.18 -0.56 -0.15 0.00 -3.05 0.00 0.00 64.05 60.11 1dmo n THR 117 Cb 0.48 -1.63 -0.14 0.00 -1.55 0.00 0.00 70.33 67.49 1dmo n THR 117 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 1dmo h ASP 118 N -0.80 0.32 0.06 1.09 1.82 -1.99 -3.02 116.42 113.90 1dmo h ASP 118 Ca -0.21 -0.42 -0.00 0.00 -0.39 0.00 0.00 57.03 56.00 1dmo h ASP 118 Cb 0.62 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.52 1dmo h ASP 118 CO 0.16 1.35 -0.03 -0.33 -1.61 0.00 0.00 179.24 178.78 1dmo h GLU 119 N 0.06 -0.07 -0.62 0.28 5.08 -1.99 -0.29 114.58 117.03 1dmo h GLU 119 Ca -0.20 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 1dmo h GLU 119 Cb 1.98 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 31.22 1dmo h GLU 119 CO 0.16 0.15 0.31 0.93 -1.00 0.00 0.00 179.01 179.56 1dmo h GLU 120 N -0.29 0.88 -0.74 2.33 5.08 -1.97 0.12 114.58 119.99 1dmo h GLU 120 Ca -0.01 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1dmo h GLU 120 Cb 0.26 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1dmo h GLU 120 CO 0.01 0.69 0.37 0.28 -1.00 0.00 0.00 179.01 179.36 1dmo h VAL 121 N 0.84 1.23 -0.23 3.13 2.07 -1.43 0.18 116.25 122.04 1dmo h VAL 121 Ca 0.21 -0.62 -0.10 0.00 0.82 0.00 0.00 66.70 67.01 1dmo h VAL 121 Cb 0.09 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1dmo h VAL 121 CO -0.03 0.27 -0.25 -0.78 0.02 0.00 0.00 177.57 176.80 1dmo h ASP 122 N 1.04 0.62 -0.04 0.57 1.82 -0.54 0.11 116.42 120.01 1dmo h ASP 122 Ca 0.26 -0.48 -0.07 0.00 -0.39 0.00 0.00 57.03 56.35 1dmo h ASP 122 Cb 0.08 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 39.90 1dmo h ASP 122 CO -0.04 0.98 -0.15 -0.08 -1.61 0.00 0.00 179.24 178.34 1dmo h GLU 123 N 0.28 0.38 -0.00 0.28 4.81 -0.62 -2.64 114.58 117.07 1dmo h GLU 123 Ca 0.04 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1dmo h GLU 123 Cb 0.81 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.15 1dmo h GLU 123 CO 0.06 0.53 -0.17 1.98 -0.73 0.00 0.00 179.01 180.68 1dmo h MET 124 N 0.35 0.12 -0.98 1.92 4.05 -0.51 -3.20 114.93 116.66 1dmo h MET 124 Ca 0.06 -0.12 0.25 0.00 -0.28 0.00 0.00 59.70 59.61 1dmo h MET 124 Cb 0.48 0.03 -0.13 0.00 -0.80 0.00 0.00 31.60 31.19 1dmo h MET 124 CO 0.03 0.87 0.56 0.82 0.23 0.00 0.00 176.91 179.42 1dmo h ILE 125 N -0.59 0.51 -0.29 1.77 2.04 -0.67 1.14 117.51 121.42 1dmo h ILE 125 Ca -0.02 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1dmo h ILE 125 Cb 0.93 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1dmo h ILE 125 CO 0.03 0.10 0.15 -0.09 0.00 0.00 0.00 178.15 178.34 1dmo h ARG 126 N 0.53 0.39 0.00 2.37 1.12 -1.49 0.99 114.38 118.30 1dmo h ARG 126 Ca 0.64 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 59.47 1dmo h ARG 126 Cb 1.23 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 31.11 1dmo h ARG 126 CO -0.49 0.30 0.00 -1.91 -3.11 0.00 0.00 179.97 174.76 1dmo n GLU 127 N -4.45 0.12 0.00 0.20 4.07 0.39 -3.17 120.64 117.80 1dmo n GLU 127 Ca 0.01 0.27 0.00 0.00 -0.06 0.00 0.00 57.16 57.39 1dmo n GLU 127 Cb 0.10 -1.70 0.00 0.00 -0.06 0.00 0.00 31.44 29.79 1dmo n GLU 127 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1dmo n ALA 128 N -1.66 1.88 -4.08 4.31 0.00 0.34 -4.78 120.51 116.53 1dmo n ALA 128 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.09 1dmo n ALA 128 Cb 0.26 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.70 1dmo n ALA 128 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1dmo n ASN 129 N 0.38 -2.43 -3.23 0.00 6.94 -1.19 -4.88 115.26 110.85 1dmo n ASN 129 Ca 0.00 -1.18 -0.20 0.00 -0.02 0.00 0.00 54.58 53.18 1dmo n ASN 129 Cb 0.18 -1.43 0.20 0.00 -2.36 0.00 0.00 39.78 36.37 1dmo n ASN 129 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1dmo n ILE 130 N -4.57 0.00 0.00 1.53 5.41 -1.26 -4.99 119.36 115.47 1dmo n ILE 130 Ca -0.15 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.60 1dmo n ILE 130 Cb 0.54 -0.66 0.00 0.00 -0.71 0.00 0.00 39.64 38.81 1dmo n ILE 130 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1dmo n ASP 131 N -4.10 0.00 0.00 4.38 5.75 -1.26 -5.07 116.55 116.24 1dmo n ASP 131 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.87 1dmo n ASP 131 Cb 0.40 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 1dmo n ASP 131 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dmo n GLY 132 N 0.28 0.73 0.00 6.12 0.00 -1.26 -4.92 105.19 106.14 1dmo n GLY 132 Ca 0.00 0.09 0.03 0.00 0.00 0.00 0.00 46.02 46.14 1dmo n GLY 132 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1dmo n ASP 133 N 0.00 0.00 -0.10 1.61 2.03 -1.26 -4.74 116.55 114.09 1dmo n ASP 133 Ca 0.00 -0.10 -0.01 0.00 0.52 0.00 0.00 54.79 55.20 1dmo n ASP 133 Cb 0.00 -0.07 -0.01 0.00 -0.72 0.00 0.00 41.12 40.32 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 -0.65 0.34 3.74 0.27 0.00 -1.26 -4.82 105.19 102.82 1dmo n GLY 134 Ca 0.04 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.30 4.39 -0.05 1.61 -1.52 -1.26 0.17 119.66 121.70 1dmo s GLN 135 Ca 0.00 2.07 0.02 0.00 -1.95 0.00 0.00 55.36 55.50 1dmo s GLN 135 Cb 0.00 -3.18 0.01 0.00 -0.22 0.00 0.00 33.01 29.62 1dmo s GLN 135 CO 0.00 -0.24 -0.10 0.08 -0.25 0.00 0.00 175.29 174.79 1dmo s VAL 136 N -0.05 0.93 -1.14 1.09 1.01 0.17 -4.74 120.40 117.68 1dmo s VAL 136 Ca 0.56 -0.37 -0.23 0.00 0.00 0.00 0.00 61.98 61.94 1dmo s VAL 136 Cb -0.37 -0.87 -0.09 0.00 0.00 0.00 0.00 36.38 35.05 1dmo s VAL 136 CO 0.40 0.31 1.95 0.54 0.00 0.00 0.00 175.10 178.29 1dmo s ASN 137 N 0.68 4.96 0.62 3.32 2.20 -1.26 -1.35 114.94 124.10 1dmo s ASN 137 Ca -0.13 -1.50 0.21 0.00 -0.94 0.00 0.00 52.86 50.51 1dmo s ASN 137 Cb -0.15 -2.59 0.90 0.00 -2.00 0.00 0.00 41.25 37.42 1dmo s ASN 137 CO 0.02 -3.12 1.43 0.10 -2.94 0.00 0.00 177.10 172.59 1dmo h TYR 138 N 10.03 0.00 0.12 1.54 -0.00 -1.88 0.42 116.97 127.20 1dmo h TYR 138 Ca 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.91 1dmo h TYR 138 Cb 0.95 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.68 1dmo h TYR 138 CO 1.20 0.00 -0.06 1.49 -0.00 0.00 0.00 178.16 180.80 1dmo h GLU 139 N 0.00 -0.15 0.00 0.10 4.57 -1.84 0.20 114.58 117.46 1dmo h GLU 139 Ca 0.25 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.41 1dmo h GLU 139 Cb 2.06 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 30.68 1dmo h GLU 139 CO -0.00 0.32 -0.13 0.93 -1.18 0.00 0.00 179.01 178.95 1dmo h GLU 140 N -0.73 0.00 -0.01 1.92 3.07 -0.63 -2.04 114.58 116.15 1dmo h GLU 140 Ca -0.02 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.58 1dmo h GLU 140 Cb 0.54 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.47 1dmo h GLU 140 CO 0.03 0.13 -1.01 0.35 -1.40 0.00 0.00 179.01 177.11 1dmo h PHE 141 N 0.00 1.05 -0.43 4.33 3.57 -1.00 0.66 116.94 125.12 1dmo h PHE 141 Ca -0.00 -0.56 0.05 0.00 3.53 0.00 0.00 57.97 60.99 1dmo h PHE 141 Cb 0.30 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1dmo h PHE 141 CO 0.00 1.40 0.29 0.28 -2.23 0.00 0.00 178.31 178.04 1dmo h VAL 142 N 0.40 0.99 0.08 1.41 2.07 0.13 0.08 116.25 121.41 1dmo h VAL 142 Ca -0.12 -0.13 -0.34 0.00 0.82 0.00 0.00 66.70 66.92 1dmo h VAL 142 Cb 1.66 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 1dmo h VAL 142 CO 0.20 0.07 -1.92 0.00 0.02 0.00 0.00 177.57 175.94 1dmo n GLN 143 N -4.48 0.72 0.24 1.57 1.13 -1.07 -3.39 117.38 112.10 1dmo n GLN 143 Ca 0.05 0.27 0.09 0.00 -1.94 0.00 0.00 57.00 55.47 1dmo n GLN 143 Cb 0.22 -1.73 0.59 0.00 0.11 0.00 0.00 30.24 29.43 1dmo n GLN 143 CO 0.00 0.00 0.00 1.98 -1.44 0.00 0.00 177.06 177.60 1dmo h MET 144 N 0.05 0.00 0.07 -1.09 4.05 -0.47 -2.53 114.93 115.01 1dmo h MET 144 Ca -0.39 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 58.92 1dmo h MET 144 Cb 2.03 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 32.84 1dmo h MET 144 CO 0.08 0.18 -0.50 0.52 0.23 0.00 0.00 176.91 177.42 1dmo h MET 145 N 0.00 0.22 0.00 0.39 2.86 -1.12 -3.19 114.93 114.09 1dmo h MET 145 Ca -0.00 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 1dmo h MET 145 Cb 0.39 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.16 1dmo h MET 145 CO 0.02 1.12 0.00 -2.37 1.06 0.00 0.00 176.91 176.74 1dmo n THR 146 N -4.31 0.18 -1.81 2.22 5.66 -1.12 -4.78 114.28 110.32 1dmo n THR 146 Ca -0.12 0.05 -0.35 0.00 -3.05 0.00 0.00 64.05 60.57 1dmo n THR 146 Cb 0.67 -0.83 0.05 0.00 -1.55 0.00 0.00 70.33 68.68 1dmo n THR 146 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1dmo s ALA 147 N -2.16 2.41 -1.57 1.79 0.00 -0.97 -5.09 121.76 116.17 1dmo s ALA 147 Ca 0.19 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1dmo s ALA 147 Cb 0.09 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1dmo s ALA 147 CO 0.17 -1.40 0.39 0.36 0.00 0.00 0.00 175.76 175.28