#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 0.00 -4.57 0.00 2.03 -1.26 -5.14 116.55 107.61 1dmo n ASP 2 Ca 0.00 -0.51 -0.34 0.00 0.52 0.00 0.00 54.79 54.46 1dmo n ASP 2 Cb 0.00 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 40.51 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 0.00 0.16 -3.27 -0.67 3.00 -1.26 -3.92 117.38 111.41 1dmo n GLN 3 Ca 0.00 0.11 -0.24 0.00 -0.01 0.00 0.00 57.00 56.87 1dmo n GLN 3 Cb 0.20 -2.14 0.02 0.00 0.00 0.00 0.00 30.24 28.32 1dmo n GLN 3 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1dmo n LEU 4 N -1.92 -4.18 -4.16 1.08 4.32 -1.26 -4.81 117.00 106.08 1dmo n LEU 4 Ca 0.11 0.19 -0.35 0.00 -0.02 0.00 0.00 56.01 55.94 1dmo n LEU 4 Cb 0.51 -2.08 0.07 0.00 -1.62 0.00 0.00 43.42 40.29 1dmo n LEU 4 CO 0.49 -0.95 -0.86 0.41 -1.22 0.00 0.00 177.39 175.26 1dmo n THR 5 N 0.11 0.04 -0.28 -5.08 -1.04 -1.25 -4.54 114.28 102.23 1dmo n THR 5 Ca -0.02 -0.39 0.08 0.00 -2.04 0.00 0.00 64.05 61.68 1dmo n THR 5 Cb 0.56 -0.23 0.23 0.00 -1.82 0.00 0.00 70.33 69.07 1dmo n THR 5 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 1dmo h GLU 6 N -1.16 0.46 -0.61 -2.82 4.11 -1.90 0.41 114.58 113.07 1dmo h GLU 6 Ca -0.44 -0.03 0.10 0.00 0.07 0.00 0.00 59.36 59.07 1dmo h GLU 6 Cb 1.30 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 30.37 1dmo h GLU 6 CO 0.28 0.30 0.20 1.49 0.07 0.00 0.00 179.01 181.35 1dmo h GLU 7 N 0.47 0.35 -0.85 1.06 4.81 -1.98 0.42 114.58 118.85 1dmo h GLU 7 Ca 0.47 -0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.78 1dmo h GLU 7 Cb 0.77 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 30.00 1dmo h GLU 7 CO -0.44 0.23 0.50 1.96 -0.73 0.00 0.00 179.01 180.53 1dmo h GLN 8 N 0.36 0.80 0.00 1.92 1.08 -1.19 0.46 115.11 118.53 1dmo h GLN 8 Ca 0.32 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.42 1dmo h GLN 8 Cb 0.43 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 1dmo h GLN 8 CO -0.34 0.53 -0.21 0.82 -0.95 0.00 0.00 178.83 178.68 1dmo h ILE 9 N 0.83 0.50 -0.03 2.54 2.04 -0.46 -2.10 117.51 120.83 1dmo h ILE 9 Ca 0.41 -1.11 -0.11 0.00 1.00 0.00 0.00 64.86 65.06 1dmo h ILE 9 Cb 0.38 1.77 0.01 0.00 -0.74 0.00 0.00 36.82 38.25 1dmo h ILE 9 CO -0.25 0.21 -0.41 0.00 0.00 0.00 0.00 178.15 177.70 1dmo h ALA 10 N 1.79 0.09 0.00 1.87 0.00 0.39 -2.20 119.26 121.20 1dmo h ALA 10 Ca -0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 1dmo h ALA 10 Cb 0.76 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1dmo h ALA 10 CO 0.03 0.23 -0.20 1.49 0.00 0.00 0.00 179.25 180.79 1dmo h GLU 11 N -0.21 0.00 0.02 0.00 4.57 -0.73 -2.51 114.58 115.71 1dmo h GLU 11 Ca -0.04 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1dmo h GLU 11 Cb 1.11 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 1dmo h GLU 11 CO 0.08 0.20 -0.01 0.74 -1.18 0.00 0.00 179.01 178.84 1dmo h PHE 12 N 0.00 -0.03 -0.38 0.92 -1.00 -1.33 -2.87 116.94 112.26 1dmo h PHE 12 Ca -0.00 -0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.82 1dmo h PHE 12 Cb 0.59 0.01 -0.02 0.00 3.61 0.00 0.00 35.95 40.14 1dmo h PHE 12 CO 0.00 0.52 0.26 -0.22 -1.61 0.00 0.00 178.31 177.25 1dmo h LYS 13 N -0.59 0.31 0.24 1.51 3.64 -1.23 0.99 116.57 121.44 1dmo h LYS 13 Ca -0.00 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1dmo h LYS 13 Cb 0.56 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1dmo h LYS 13 CO 0.00 0.20 -0.14 1.49 -2.27 0.00 0.00 179.45 178.74 1dmo h GLU 14 N 0.32 -0.34 0.02 1.90 4.57 -1.34 0.78 114.58 120.48 1dmo h GLU 14 Ca 0.16 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.37 1dmo h GLU 14 Cb 0.25 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1dmo h GLU 14 CO -0.04 -0.23 -0.01 0.00 -1.18 0.00 0.00 179.01 177.55 1dmo h ALA 15 N 0.40 -0.03 -0.44 2.92 0.00 -1.12 0.94 119.26 121.92 1dmo h ALA 15 Ca -0.03 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 54.91 1dmo h ALA 15 Cb 0.29 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1dmo h ALA 15 CO 0.04 -0.42 0.33 0.35 0.00 0.00 0.00 179.25 179.54 1dmo h PHE 16 N -0.22 0.00 0.00 0.00 3.57 -0.64 0.34 116.94 119.99 1dmo h PHE 16 Ca -0.00 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.31 1dmo h PHE 16 Cb 0.21 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 1dmo h PHE 16 CO -0.01 0.00 -1.13 0.77 -2.23 0.00 0.00 178.31 175.71 1dmo h SER 17 N 0.00 0.00 -0.29 0.41 0.02 0.12 -3.25 113.55 110.56 1dmo h SER 17 Ca 0.21 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.11 1dmo h SER 17 Cb 0.86 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.38 1dmo h SER 17 CO -0.00 0.75 0.03 -0.07 -1.14 0.00 0.00 176.83 176.40 1dmo h LEU 18 N 0.00 0.56 -2.87 5.07 3.38 0.14 -2.13 115.31 119.46 1dmo h LEU 18 Ca -0.11 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1dmo h LEU 18 Cb 1.67 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.27 1dmo h LEU 18 CO 0.08 0.61 0.00 0.49 0.09 0.00 0.00 178.44 179.71 1dmo n PHE 19 N -4.28 1.43 -2.41 1.13 3.72 -1.04 -4.95 117.46 111.05 1dmo n PHE 19 Ca 0.02 -0.55 -0.36 0.00 -0.05 0.00 0.00 57.45 56.51 1dmo n PHE 19 Cb 0.24 -0.28 -0.02 0.00 -0.94 0.00 0.00 39.48 38.48 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 -0.80 6.37 0.00 4.37 -1.08 -0.80 -4.89 116.67 119.84 1dmo s ASP 20 Ca 0.45 2.13 0.00 0.00 -0.52 0.00 0.00 52.55 54.61 1dmo s ASP 20 Cb 0.30 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 39.18 1dmo s ASP 20 CO 0.20 -0.77 0.00 1.17 0.52 0.00 0.00 175.17 176.29 1dmo n LYS 21 N -0.50 0.00 -2.97 4.34 4.81 -1.26 -5.05 118.16 117.52 1dmo n LYS 21 Ca 0.07 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.37 1dmo n LYS 21 Cb 0.50 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.53 1dmo n LYS 21 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1dmo n ASP 22 N 0.00 -1.99 0.00 3.14 8.00 -1.26 -5.06 116.55 119.37 1dmo n ASP 22 Ca 0.00 -2.87 0.00 0.00 0.71 0.00 0.00 54.79 52.63 1dmo n ASP 22 Cb 0.00 0.84 0.00 0.00 -0.02 0.00 0.00 41.12 41.94 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 2.26 3.00 1.46 0.44 0.00 -1.26 -5.09 105.19 106.01 1dmo n GLY 23 Ca 0.19 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.95 -3.88 1.61 8.00 -1.26 -4.75 116.55 114.32 1dmo n ASP 24 Ca 0.00 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.28 1dmo n ASP 24 Cb 0.00 -0.97 -0.07 0.00 -0.02 0.00 0.00 41.12 40.05 1dmo n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dmo n GLY 25 N -0.17 0.14 3.26 0.44 0.00 -1.26 -4.73 105.19 102.88 1dmo n GLY 25 Ca 0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 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 7.07 0.08 0.19 2.61 -4.23 -1.26 -3.96 115.64 116.12 1dmo s THR 26 Ca 0.45 -0.63 0.09 0.00 -1.18 0.00 0.00 61.69 60.42 1dmo s THR 26 Cb 0.06 -0.92 -0.04 0.00 1.34 0.00 0.00 72.50 72.94 1dmo s THR 26 CO 0.19 -0.35 -0.07 0.27 -0.54 0.00 0.00 174.62 174.12 1dmo s ILE 27 N -2.44 3.32 0.10 2.99 -4.36 -0.62 -4.61 121.20 115.58 1dmo s ILE 27 Ca -0.06 -1.64 -0.11 0.00 -0.26 0.00 0.00 60.65 58.59 1dmo s ILE 27 Cb -0.01 -2.66 -0.06 0.00 1.25 0.00 0.00 42.46 40.97 1dmo s ILE 27 CO -0.03 -0.14 0.45 0.42 0.24 0.00 0.00 174.94 175.88 1dmo s THR 28 N -1.78 5.02 0.49 8.37 -4.23 -1.26 -0.17 115.64 122.09 1dmo s THR 28 Ca 0.26 0.55 0.43 0.00 -1.18 0.00 0.00 61.69 61.76 1dmo s THR 28 Cb -0.09 -3.67 0.64 0.00 1.34 0.00 0.00 72.50 70.73 1dmo s THR 28 CO 0.16 0.26 1.45 0.35 -0.54 0.00 0.00 174.62 176.31 1dmo n THR 29 N 0.83 -0.05 -0.10 3.99 -2.24 -1.26 0.17 114.28 115.62 1dmo n THR 29 Ca -0.07 1.45 -0.13 0.00 -2.27 0.00 0.00 64.05 63.04 1dmo n THR 29 Cb 0.52 -2.41 -0.04 0.00 -2.10 0.00 0.00 70.33 66.30 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 0.68 0.00 -0.78 2.10 -1.91 -2.69 116.57 113.97 1dmo h LYS 30 Ca 0.87 -0.33 0.00 0.00 -2.00 0.00 0.00 60.65 59.19 1dmo h LYS 30 Cb 3.33 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 34.65 1dmo h LYS 30 CO -0.11 0.93 0.00 0.39 -2.00 0.00 0.00 179.45 178.66 1dmo n GLU 31 N -4.32 0.08 0.01 0.07 -0.58 0.44 -4.06 120.64 112.29 1dmo n GLU 31 Ca -0.03 0.05 -0.01 0.00 -0.42 0.00 0.00 57.16 56.74 1dmo n GLU 31 Cb 0.42 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.78 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 -0.13 -1.20 -4.62 5.85 -0.87 -1.75 115.31 112.60 1dmo h LEU 32 Ca 0.00 0.01 0.45 0.00 0.84 0.00 0.00 57.88 59.18 1dmo h LEU 32 Cb 0.40 0.04 -0.16 0.00 0.37 0.00 0.00 40.66 41.32 1dmo h LEU 32 CO 0.00 -0.05 0.72 0.61 -0.34 0.00 0.00 178.44 179.38 1dmo n GLY 33 N -1.04 -0.79 0.16 3.75 0.00 -1.26 0.11 105.19 106.11 1dmo n GLY 33 Ca -0.01 0.78 -0.11 0.00 0.00 0.00 0.00 46.02 46.68 1dmo n GLY 33 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1dmo h THR 34 N 0.00 1.25 -0.33 2.61 2.02 -1.61 -0.27 112.91 116.58 1dmo h THR 34 Ca 0.86 -0.90 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 1dmo h THR 34 Cb 2.55 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 70.29 1dmo h THR 34 CO -0.60 0.28 0.11 0.58 0.37 0.00 0.00 175.52 176.26 1dmo h VAL 35 N 0.22 1.20 -0.83 3.16 2.07 0.16 -1.50 116.25 120.75 1dmo h VAL 35 Ca 0.07 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 1dmo h VAL 35 Cb 0.41 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 1dmo h VAL 35 CO 0.01 0.23 0.51 0.24 0.02 0.00 0.00 177.57 178.58 1dmo h MET 36 N 0.39 1.11 0.00 1.57 2.86 -1.02 0.11 114.93 119.94 1dmo h MET 36 Ca 0.11 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1dmo h MET 36 Cb 0.24 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1dmo h MET 36 CO -0.00 0.77 0.00 0.00 1.06 0.00 0.00 176.91 178.73 1dmo h ARG 37 N 1.13 0.00 0.00 1.72 3.08 -0.68 -3.05 114.38 116.59 1dmo h ARG 37 Ca 0.30 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 60.04 1dmo h ARG 37 Cb -0.07 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 29.93 1dmo h ARG 37 CO -0.06 0.00 -1.88 0.43 -1.07 0.00 0.00 179.97 177.39 1dmo n SER 38 N -2.42 0.72 -0.19 7.04 7.64 -0.13 -4.29 113.62 121.98 1dmo n SER 38 Ca 0.03 0.31 -0.02 0.00 1.01 0.00 0.00 58.87 60.20 1dmo n SER 38 Cb 0.29 0.15 0.05 0.00 -1.01 0.00 0.00 64.21 63.69 1dmo n SER 38 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1dmo h LEU 39 N 0.00 -0.63 0.00 -3.43 4.07 -1.02 -3.44 115.31 110.86 1dmo h LEU 39 Ca -0.35 0.18 0.00 0.00 0.08 0.00 0.00 57.88 57.79 1dmo h LEU 39 Cb 2.07 0.39 0.00 0.00 1.08 0.00 0.00 40.66 44.20 1dmo h LEU 39 CO 0.07 -0.22 0.00 0.61 -1.08 0.00 0.00 178.44 177.82 1dmo n GLY 40 N -1.42 -0.12 3.20 0.83 0.00 -1.26 -5.05 105.19 101.37 1dmo n GLY 40 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 0.78 -0.42 1.61 0.74 -1.26 -5.12 119.66 116.00 1dmo s GLN 41 Ca 0.00 -0.80 -0.02 0.00 0.05 0.00 0.00 55.36 54.59 1dmo s GLN 41 Cb 0.00 0.32 0.11 0.00 1.10 0.00 0.00 33.01 34.54 1dmo s GLN 41 CO 0.00 -0.24 0.20 0.54 -0.55 0.00 0.00 175.29 175.24 1dmo s ASN 42 N -2.51 5.17 1.03 6.67 4.22 -1.26 -3.83 114.94 124.42 1dmo s ASN 42 Ca 0.00 -2.13 -0.12 0.00 -2.14 0.00 0.00 52.86 48.48 1dmo s ASN 42 Cb 0.02 -1.80 0.20 0.00 1.28 0.00 0.00 41.25 40.96 1dmo s ASN 42 CO -0.08 -0.50 1.07 -2.16 -2.04 0.00 0.00 177.10 173.39 1dmo s PRO 43 N 1.00 0.19 0.02 3.55 0.05 -1.26 -4.96 135.00 133.58 1dmo s PRO 43 Ca 0.09 0.81 -0.30 0.00 0.05 0.00 0.00 61.00 61.66 1dmo s PRO 43 Cb -0.22 -1.69 -0.03 0.00 0.05 0.00 0.00 34.50 32.61 1dmo s PRO 43 CO -0.05 -2.97 0.97 0.99 0.05 0.00 0.00 177.00 175.99 1dmo s THR 44 N -2.74 4.81 0.52 1.26 2.01 -1.26 -4.86 115.64 115.38 1dmo s THR 44 Ca 0.66 2.05 0.10 0.00 0.31 0.00 0.00 61.69 64.81 1dmo s THR 44 Cb -0.21 -4.32 0.10 0.00 0.01 0.00 0.00 72.50 68.08 1dmo s THR 44 CO 0.60 0.19 1.23 -0.33 -0.69 0.00 0.00 174.62 175.62 1dmo h GLU 45 N 6.60 0.00 0.00 4.92 4.39 -1.99 -0.27 114.58 128.23 1dmo h GLU 45 Ca -0.41 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.29 1dmo h GLU 45 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1dmo h GLU 45 CO 0.74 0.00 -0.00 0.00 -1.16 0.00 0.00 179.01 178.59 1dmo h ALA 46 N 0.51 0.00 -0.89 3.43 0.00 -1.98 -2.68 119.26 117.65 1dmo h ALA 46 Ca 0.00 -0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.12 1dmo h ALA 46 Cb 1.37 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 19.04 1dmo h ALA 46 CO 0.00 0.00 0.36 0.93 0.00 0.00 0.00 179.25 180.55 1dmo h GLU 47 N -0.23 0.36 -0.36 0.00 5.08 -1.56 0.72 114.58 118.60 1dmo h GLU 47 Ca 0.00 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1dmo h GLU 47 Cb 0.00 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.11 1dmo h GLU 47 CO 0.00 0.24 -0.03 1.25 -1.00 0.00 0.00 179.01 179.47 1dmo h LEU 48 N 0.37 -0.21 -1.30 1.33 5.85 -1.24 0.16 115.31 120.27 1dmo h LEU 48 Ca 0.55 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 59.30 1dmo h LEU 48 Cb 1.06 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1dmo h LEU 48 CO -0.54 -0.07 -0.31 -0.61 -0.34 0.00 0.00 178.44 176.57 1dmo h GLN 49 N 0.06 0.00 -0.19 1.25 4.15 0.54 -2.62 115.11 118.31 1dmo h GLN 49 Ca 0.17 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.45 1dmo h GLN 49 Cb 0.25 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 1dmo h GLN 49 CO -0.32 0.31 -0.49 -0.44 -1.93 0.00 0.00 178.83 175.96 1dmo h ASP 50 N 0.00 0.55 -0.34 -0.69 3.32 0.24 -2.76 116.42 116.75 1dmo h ASP 50 Ca -0.00 -0.28 -0.09 0.00 0.02 0.00 0.00 57.03 56.68 1dmo h ASP 50 Cb 0.67 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1dmo h ASP 50 CO 0.04 0.96 -0.13 0.24 -1.72 0.00 0.00 179.24 178.62 1dmo h MET 51 N 0.40 0.69 0.01 3.56 2.86 -0.46 -2.98 114.93 119.02 1dmo h MET 51 Ca 0.02 -0.29 0.02 0.00 -2.06 0.00 0.00 59.70 57.39 1dmo h MET 51 Cb 1.01 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.61 1dmo h MET 51 CO 0.09 0.88 -0.17 0.82 1.06 0.00 0.00 176.91 179.60 1dmo h ILE 52 N 0.47 0.60 -0.73 -1.22 5.03 -1.41 0.12 117.51 120.37 1dmo h ILE 52 Ca 0.08 0.00 0.21 0.00 -0.12 0.00 0.00 64.86 65.03 1dmo h ILE 52 Cb 0.66 0.60 -0.03 0.00 -3.03 0.00 0.00 36.82 35.02 1dmo h ILE 52 CO 0.04 0.00 0.60 -1.13 -0.68 0.00 0.00 178.15 176.98 1dmo h ASN 53 N -0.28 0.00 0.00 1.72 -0.73 -1.45 1.28 115.58 116.12 1dmo h ASN 53 Ca 0.05 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.22 1dmo h ASN 53 Cb 0.34 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.93 1dmo h ASN 53 CO -0.15 0.00 0.00 1.21 -0.37 0.00 0.00 177.43 178.12 1dmo n GLU 54 N -4.03 0.00 0.00 6.67 4.07 0.04 -1.53 120.64 125.86 1dmo n GLU 54 Ca 0.15 0.37 0.00 0.00 -0.06 0.00 0.00 57.16 57.62 1dmo n GLU 54 Cb 0.87 -0.86 0.00 0.00 -0.06 0.00 0.00 31.44 31.39 1dmo n GLU 54 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 1dmo n VAL 55 N -2.04 1.77 -2.10 6.31 0.24 0.20 -1.00 118.33 121.70 1dmo n VAL 55 Ca 0.00 0.44 0.01 0.00 -2.04 0.00 0.00 64.34 62.76 1dmo n VAL 55 Cb 0.00 -1.44 0.10 0.00 -1.47 0.00 0.00 33.84 31.03 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 -1.45 1.78 0.16 -1.34 2.03 0.44 -4.66 116.55 113.52 1dmo n ASP 56 Ca 0.00 -2.99 -0.07 0.00 0.52 0.00 0.00 54.79 52.25 1dmo n ASP 56 Cb 0.00 -0.42 -0.03 0.00 -0.72 0.00 0.00 41.12 39.95 1dmo n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1dmo h ALA 57 N 1.28 -0.68 -0.11 -1.67 0.00 0.01 -3.32 119.26 114.77 1dmo h ALA 57 Ca -0.06 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1dmo h ALA 57 Cb 1.42 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 19.34 1dmo h ALA 57 CO 0.14 -0.65 -0.19 -0.44 0.00 0.00 0.00 179.25 178.11 1dmo h ASP 58 N -0.71 -0.59 0.00 0.00 3.32 -1.85 -3.46 116.42 113.13 1dmo h ASP 58 Ca -0.05 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1dmo h ASP 58 Cb 0.34 0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1dmo h ASP 58 CO 0.08 -0.24 0.00 0.61 -1.72 0.00 0.00 179.24 177.96 1dmo n GLY 59 N -1.33 0.14 0.50 2.75 0.00 -1.25 -5.06 105.19 100.93 1dmo n GLY 59 Ca -0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.48 0.00 1.61 4.21 -1.83 -3.46 115.58 114.63 1dmo h ASN 60 Ca 0.00 0.14 0.00 0.00 1.21 0.00 0.00 56.30 57.65 1dmo h ASN 60 Cb 0.00 0.52 0.00 0.00 -1.12 0.00 0.00 38.32 37.72 1dmo h ASN 60 CO 0.00 -0.62 0.00 0.61 -1.29 0.00 0.00 177.43 176.13 1dmo n GLY 61 N -1.53 2.52 3.50 2.83 0.00 -1.26 -5.05 105.19 106.19 1dmo n GLY 61 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.54 0.00 -0.08 2.61 -4.23 -1.26 -4.21 115.64 105.94 1dmo s THR 62 Ca 0.00 -1.55 -0.01 0.00 -1.18 0.00 0.00 61.69 58.95 1dmo s THR 62 Cb 0.00 -2.31 0.03 0.00 1.34 0.00 0.00 72.50 71.55 1dmo s THR 62 CO 0.00 0.00 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.43 1dmo s ILE 63 N -3.95 0.52 0.81 2.99 1.01 0.76 -4.81 121.20 118.53 1dmo s ILE 63 Ca 0.27 0.02 -0.12 0.00 0.00 0.00 0.00 60.65 60.82 1dmo s ILE 63 Cb 0.01 -0.64 0.08 0.00 0.01 0.00 0.00 42.46 41.92 1dmo s ILE 63 CO 0.11 0.28 1.14 -0.62 0.00 0.00 0.00 174.94 175.85 1dmo s ASP 64 N 1.85 4.47 0.15 3.58 -1.08 -1.26 -1.58 116.67 122.79 1dmo s ASP 64 Ca 0.04 0.99 -0.17 0.00 -0.52 0.00 0.00 52.55 52.89 1dmo s ASP 64 Cb -0.12 -1.60 0.01 0.00 -1.46 0.00 0.00 42.92 39.74 1dmo s ASP 64 CO -0.05 -1.95 1.81 0.15 0.52 0.00 0.00 175.17 175.64 1dmo h PHE 65 N -1.08 0.46 -0.94 -5.34 3.57 -1.97 -0.77 116.94 110.87 1dmo h PHE 65 Ca -0.47 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.04 1dmo h PHE 65 Cb 1.30 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.85 1dmo h PHE 65 CO 0.37 0.28 0.58 -1.00 -2.23 0.00 0.00 178.31 176.32 1dmo h PRO 66 N 0.49 1.26 -0.41 6.41 0.13 -1.94 -0.67 132.00 137.27 1dmo h PRO 66 Ca 0.14 -0.10 -0.06 0.00 -0.87 0.00 0.00 66.00 65.10 1dmo h PRO 66 Cb -0.04 -0.27 -0.02 0.00 0.13 0.00 0.00 31.00 30.80 1dmo h PRO 66 CO -0.04 0.87 -0.01 1.49 -0.23 0.00 0.00 178.00 180.08 1dmo h GLU 67 N 1.28 0.67 0.00 0.86 4.57 -1.85 -1.43 114.58 118.68 1dmo h GLU 67 Ca 0.34 -0.17 -0.07 0.00 -1.18 0.00 0.00 59.36 58.28 1dmo h GLU 67 Cb -0.09 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.41 1dmo h GLU 67 CO -0.07 0.70 -0.35 0.35 -1.18 0.00 0.00 179.01 178.46 1dmo h PHE 68 N 0.63 0.00 -0.13 0.92 3.04 0.08 -2.62 116.94 118.87 1dmo h PHE 68 Ca 0.13 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.04 1dmo h PHE 68 Cb 0.41 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.92 1dmo h PHE 68 CO 0.02 0.35 -0.08 -0.07 -2.02 0.00 0.00 178.31 176.51 1dmo h LEU 69 N 0.00 0.29 -0.13 0.59 3.38 -0.11 -1.98 115.31 117.35 1dmo h LEU 69 Ca -0.00 -0.43 0.04 0.00 0.09 0.00 0.00 57.88 57.58 1dmo h LEU 69 Cb 0.64 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 1dmo h LEU 69 CO 0.05 0.66 -0.18 0.74 0.09 0.00 0.00 178.44 179.80 1dmo h THR 70 N -0.08 0.54 0.00 0.22 2.02 -1.19 0.18 112.91 114.61 1dmo h THR 70 Ca 0.03 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 1dmo h THR 70 Cb 0.56 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1dmo h THR 70 CO 0.02 0.00 -0.06 0.00 0.37 0.00 0.00 175.52 175.85 1dmo h MET 71 N -0.22 0.00 0.04 6.66 -0.00 -1.48 -2.50 114.93 117.43 1dmo h MET 71 Ca 0.10 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.79 1dmo h MET 71 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.96 1dmo h MET 71 CO -0.26 0.06 -0.02 1.98 -0.00 0.00 0.00 176.91 178.67 1dmo h MET 72 N 0.00 -0.05 -0.98 -0.10 -1.53 0.05 -2.75 114.93 109.57 1dmo h MET 72 Ca -0.00 0.00 0.21 0.00 -3.44 0.00 0.00 59.70 56.47 1dmo h MET 72 Cb 0.19 0.01 -0.09 0.00 -0.55 0.00 0.00 31.60 31.16 1dmo h MET 72 CO 0.01 0.52 0.62 0.00 0.14 0.00 0.00 176.91 178.19 1dmo h ALA 73 N 0.24 1.96 -0.30 0.39 0.00 -0.48 0.42 119.26 121.48 1dmo h ALA 73 Ca -0.01 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1dmo h ALA 73 Cb 0.59 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1dmo h ALA 73 CO 0.01 -0.31 -0.23 -0.09 0.00 0.00 0.00 179.25 178.63 1dmo h ARG 74 N 0.58 0.57 0.01 0.00 2.43 -1.45 0.12 114.38 116.64 1dmo h ARG 74 Ca 0.55 -0.21 -0.21 0.00 -0.81 0.00 0.00 59.98 59.30 1dmo h ARG 74 Cb 1.11 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 1dmo h ARG 74 CO -0.30 0.76 -0.90 -0.22 -1.51 0.00 0.00 179.97 177.80 1dmo h LYS 75 N 0.51 0.24 -0.05 0.20 1.63 -0.04 -3.26 116.57 115.80 1dmo h LYS 75 Ca 0.08 -0.26 -0.25 0.00 -0.85 0.00 0.00 60.65 59.36 1dmo h LYS 75 Cb 0.67 0.08 0.01 0.00 -0.60 0.00 0.00 32.23 32.39 1dmo h LYS 75 CO 0.05 0.99 -0.94 1.98 -3.45 0.00 0.00 179.45 178.08 1dmo h MET 76 N 0.13 0.69 -4.32 1.90 4.05 -0.33 -3.49 114.93 113.57 1dmo h MET 76 Ca -0.05 -0.68 0.00 0.00 -0.28 0.00 0.00 59.70 58.69 1dmo h MET 76 Cb 1.54 0.18 0.00 0.00 -0.80 0.00 0.00 31.60 32.51 1dmo h MET 76 CO 0.14 1.27 -0.44 1.17 0.23 0.00 0.00 176.91 179.28 1dmo n LYS 77 N -3.87 -1.75 0.00 0.39 4.81 0.41 -4.82 118.16 113.32 1dmo n LYS 77 Ca -0.09 1.67 0.00 0.00 -0.87 0.00 0.00 58.31 59.02 1dmo n LYS 77 Cb 0.83 -3.82 0.00 0.00 0.02 0.00 0.00 35.03 32.06 1dmo n LYS 77 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1dmo n ASP 78 N 0.01 -2.78 -4.70 3.14 8.00 -1.26 -4.67 116.55 114.30 1dmo n ASP 78 Ca 0.04 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.22 1dmo n ASP 78 Cb 0.14 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.39 1dmo n ASP 78 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1dmo s THR 79 N 0.00 2.34 -0.39 -3.53 -4.23 -1.26 -4.89 115.64 103.68 1dmo s THR 79 Ca 0.00 0.11 0.06 0.00 -1.18 0.00 0.00 61.69 60.68 1dmo s THR 79 Cb 0.00 -2.26 0.44 0.00 1.34 0.00 0.00 72.50 72.01 1dmo s THR 79 CO 0.00 -0.14 1.18 -0.67 -0.54 0.00 0.00 174.62 174.44 1dmo n ASP 80 N -4.00 4.90 0.17 3.99 2.03 -1.26 -4.73 116.55 117.65 1dmo n ASP 80 Ca 0.11 -3.74 0.00 0.00 0.52 0.00 0.00 54.79 51.69 1dmo n ASP 80 Cb 0.52 -0.43 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 1dmo n ASP 80 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1dmo n SER 81 N -0.58 -1.43 -0.42 1.67 3.41 -1.26 -4.85 113.62 110.16 1dmo n SER 81 Ca 0.42 0.60 0.39 0.00 -0.26 0.00 0.00 58.87 60.01 1dmo n SER 81 Cb 0.78 1.49 0.74 0.00 -0.26 0.00 0.00 64.21 66.97 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 0.03 -0.27 4.33 5.08 -1.99 0.61 114.58 122.38 1dmo h GLU 82 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1dmo h GLU 82 Cb 0.00 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1dmo h GLU 82 CO 0.00 0.02 0.17 1.49 -1.00 0.00 0.00 179.01 179.69 1dmo h GLU 83 N 0.04 0.36 -0.83 2.33 4.22 -1.88 0.79 114.58 119.60 1dmo h GLU 83 Ca 0.67 -0.03 0.05 0.00 0.08 0.00 0.00 59.36 60.13 1dmo h GLU 83 Cb 2.58 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 31.69 1dmo h GLU 83 CO -0.06 0.27 0.51 0.93 -2.18 0.00 0.00 179.01 178.48 1dmo h GLU 84 N 0.35 0.93 0.35 1.92 5.08 -0.10 -1.19 114.58 121.92 1dmo h GLU 84 Ca 0.10 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1dmo h GLU 84 Cb -0.01 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.04 1dmo h GLU 84 CO -0.02 0.61 -0.17 0.82 -1.00 0.00 0.00 179.01 179.26 1dmo h ILE 85 N 0.96 0.66 -0.71 3.13 2.04 -1.14 -1.51 117.51 120.94 1dmo h ILE 85 Ca 0.35 -0.36 0.16 0.00 1.00 0.00 0.00 64.86 66.01 1dmo h ILE 85 Cb 0.12 0.84 -0.12 0.00 -0.74 0.00 0.00 36.82 36.93 1dmo h ILE 85 CO -0.16 0.07 0.03 -0.09 0.00 0.00 0.00 178.15 178.00 1dmo h ARG 86 N -0.67 0.13 -0.58 2.37 2.43 -0.48 0.18 114.38 117.75 1dmo h ARG 86 Ca -0.05 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1dmo h ARG 86 Cb 0.48 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 1dmo h ARG 86 CO 0.08 0.08 0.38 1.49 -1.51 0.00 0.00 179.97 180.49 1dmo h GLU 87 N 0.13 0.77 -1.07 0.20 4.81 -1.08 -0.86 114.58 117.48 1dmo h GLU 87 Ca 0.38 -0.05 0.31 0.00 -0.13 0.00 0.00 59.36 59.87 1dmo h GLU 87 Cb 0.66 -0.17 -0.12 0.00 0.63 0.00 0.00 28.75 29.74 1dmo h GLU 87 CO -0.60 0.52 0.66 0.00 -0.73 0.00 0.00 179.01 178.86 1dmo h ALA 88 N 1.20 2.15 0.09 2.92 0.00 0.43 0.20 119.26 126.26 1dmo h ALA 88 Ca 0.21 0.12 -0.17 0.00 0.00 0.00 0.00 54.91 55.07 1dmo h ALA 88 Cb -0.08 0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.83 1dmo h ALA 88 CO -0.04 -0.67 -0.72 0.74 0.00 0.00 0.00 179.25 178.56 1dmo h PHE 89 N 0.36 0.55 -1.11 0.00 0.04 -0.89 -3.22 116.94 112.67 1dmo h PHE 89 Ca 0.69 -0.36 0.31 0.00 2.80 0.00 0.00 57.97 61.41 1dmo h PHE 89 Cb 1.68 -0.04 -0.06 0.00 2.20 0.00 0.00 35.95 39.74 1dmo h PHE 89 CO -0.01 1.24 0.78 0.00 -0.60 0.00 0.00 178.31 179.73 1dmo h ARG 90 N -0.29 0.08 -0.88 1.51 2.47 0.67 0.51 114.38 118.44 1dmo h ARG 90 Ca -0.11 -0.00 0.12 0.00 -1.26 0.00 0.00 59.98 58.72 1dmo h ARG 90 Cb 1.51 -0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 29.74 1dmo h ARG 90 CO 0.14 0.05 0.57 0.28 0.56 0.00 0.00 179.97 181.57 1dmo h VAL 91 N 0.08 0.91 -0.94 2.04 2.07 -1.21 -0.09 116.25 119.11 1dmo h VAL 91 Ca 0.55 -0.27 -0.54 0.00 0.82 0.00 0.00 66.70 67.25 1dmo h VAL 91 Cb 2.02 0.05 -0.29 0.00 -1.52 0.00 0.00 31.29 31.54 1dmo h VAL 91 CO -0.07 0.14 0.62 0.49 0.02 0.00 0.00 177.57 178.78 1dmo n PHE 92 N -4.55 2.95 -2.63 1.57 3.01 0.18 -4.77 117.46 113.22 1dmo n PHE 92 Ca 0.16 -2.23 -0.43 0.00 1.01 0.00 0.00 57.45 55.97 1dmo n PHE 92 Cb 0.38 -1.06 0.01 0.00 -0.01 0.00 0.00 39.48 38.80 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 -1.06 5.99 -0.63 4.37 2.03 -0.05 -4.57 116.55 122.62 1dmo n ASP 93 Ca 0.58 -3.28 0.07 0.00 0.52 0.00 0.00 54.79 52.67 1dmo n ASP 93 Cb 1.27 -1.36 0.20 0.00 -0.72 0.00 0.00 41.12 40.51 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 2.37 1.80 0.04 -0.67 5.02 -1.26 -3.75 118.16 121.70 1dmo n LYS 94 Ca 0.35 -1.23 0.04 0.00 -2.02 0.00 0.00 58.31 55.46 1dmo n LYS 94 Cb 0.34 -1.29 -0.07 0.00 -0.02 0.00 0.00 35.03 33.98 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 0.49 0.67 -1.56 4.39 2.03 -1.26 -4.97 116.55 116.34 1dmo n ASP 95 Ca 0.13 0.28 -0.13 0.00 0.52 0.00 0.00 54.79 55.59 1dmo n ASP 95 Cb 0.30 0.57 0.00 0.00 -0.72 0.00 0.00 41.12 41.27 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 1.33 -0.13 0.00 0.27 0.00 -1.25 -4.81 105.19 100.61 1dmo n GLY 96 Ca -0.08 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.53 0.00 0.00 1.61 4.05 -1.26 -5.03 115.26 114.10 1dmo n ASN 97 Ca -0.13 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.90 1dmo n ASN 97 Cb 0.61 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.62 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 0.34 1.96 3.26 8.20 0.00 -1.26 -5.13 105.19 112.55 1dmo n GLY 98 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 2.36 0.30 1.61 1.51 -1.26 -3.78 117.35 116.09 1dmo s TYR 99 Ca 0.00 -0.69 0.10 0.00 -1.01 0.00 0.00 57.07 55.47 1dmo s TYR 99 Cb 0.00 -1.55 -0.06 0.00 -0.11 0.00 0.00 41.96 40.24 1dmo s TYR 99 CO 0.00 -0.20 -0.14 0.96 -1.11 0.00 0.00 175.55 175.05 1dmo s ILE 100 N -0.17 2.25 0.20 2.71 -4.36 -0.47 -4.35 121.20 117.01 1dmo s ILE 100 Ca -0.03 -2.29 -0.30 0.00 -0.26 0.00 0.00 60.65 57.78 1dmo s ILE 100 Cb -0.13 -2.43 -0.08 0.00 1.25 0.00 0.00 42.46 41.07 1dmo s ILE 100 CO 0.03 -0.33 1.10 -0.44 0.24 0.00 0.00 174.94 175.54 1dmo s SER 101 N -3.53 7.27 0.59 4.36 0.01 -1.26 0.31 113.70 121.45 1dmo s SER 101 Ca 0.30 2.13 0.34 0.00 1.31 0.00 0.00 55.95 60.03 1dmo s SER 101 Cb -0.01 -2.61 1.85 0.00 0.21 0.00 0.00 66.02 65.46 1dmo s SER 101 CO 0.15 -0.20 2.21 0.00 0.41 0.00 0.00 173.24 175.81 1dmo h ALA 102 N 4.82 1.23 0.17 1.44 0.00 -1.48 -1.62 119.26 123.82 1dmo h ALA 102 Ca -0.45 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1dmo h ALA 102 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1dmo h ALA 102 CO 0.71 0.05 -0.08 0.00 0.00 0.00 0.00 179.25 179.93 1dmo h ALA 103 N 1.96 -0.59 -0.87 0.00 0.00 -1.91 -2.03 119.26 115.82 1dmo h ALA 103 Ca -0.00 -0.05 0.23 0.00 0.00 0.00 0.00 54.91 55.09 1dmo h ALA 103 Cb 0.16 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1dmo h ALA 103 CO 0.01 -0.57 0.61 0.93 0.00 0.00 0.00 179.25 180.22 1dmo h GLU 104 N -0.38 0.14 0.26 0.00 5.08 -1.95 0.49 114.58 118.22 1dmo h GLU 104 Ca -0.02 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1dmo h GLU 104 Cb 0.18 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1dmo h GLU 104 CO 0.04 0.09 -0.13 1.25 -1.00 0.00 0.00 179.01 179.26 1dmo h LEU 105 N 0.14 -0.30 -1.98 1.33 6.46 -1.24 0.24 115.31 119.96 1dmo h LEU 105 Ca 0.43 -0.00 0.29 0.00 -0.12 0.00 0.00 57.88 58.48 1dmo h LEU 105 Cb 1.48 0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 41.44 1dmo h LEU 105 CO -0.07 -0.20 0.73 -0.09 -0.62 0.00 0.00 178.44 178.19 1dmo h ARG 106 N -0.37 0.01 0.00 1.25 2.43 -0.14 1.51 114.38 119.07 1dmo h ARG 106 Ca -0.04 -0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.93 1dmo h ARG 106 Cb 0.28 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 1dmo h ARG 106 CO 0.06 0.01 -0.95 1.25 -1.51 0.00 0.00 179.97 178.83 1dmo h HIS 107 N 0.01 0.00 0.00 2.20 2.76 -0.75 -3.02 115.15 116.36 1dmo h HIS 107 Ca 0.48 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.62 1dmo h HIS 107 Cb 1.92 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.87 1dmo h HIS 107 CO -0.00 0.95 -0.18 0.28 -1.30 0.00 0.00 177.93 177.68 1dmo h VAL 108 N 0.00 0.85 0.00 5.26 2.07 0.53 -1.53 116.25 123.43 1dmo h VAL 108 Ca -0.01 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1dmo h VAL 108 Cb 1.69 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1dmo h VAL 108 CO 0.12 0.18 -0.68 0.24 0.02 0.00 0.00 177.57 177.45 1dmo h MET 109 N 0.00 0.00 0.07 1.57 2.07 -1.32 -3.12 114.93 114.21 1dmo h MET 109 Ca -0.00 0.00 -0.25 0.00 -2.07 0.00 0.00 59.70 57.38 1dmo h MET 109 Cb 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.12 1dmo h MET 109 CO 0.02 0.00 -1.10 1.15 1.07 0.00 0.00 176.91 178.05 1dmo h THR 110 N 0.00 1.48 0.00 2.22 2.02 -1.17 -3.09 112.91 114.37 1dmo h THR 110 Ca 0.00 -2.85 0.00 0.00 0.77 0.00 0.00 66.41 64.33 1dmo h THR 110 Cb 0.99 2.73 0.00 0.00 -1.74 0.00 0.00 68.15 70.13 1dmo h THR 110 CO 0.00 0.84 -0.17 -1.13 0.37 0.00 0.00 175.52 175.42 1dmo h ASN 111 N 0.12 0.00 0.00 4.18 -1.24 -1.49 -3.38 115.58 113.77 1dmo h ASN 111 Ca -0.10 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.89 1dmo h ASN 111 Cb 1.79 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.84 1dmo h ASN 111 CO 0.18 0.01 0.00 -0.11 -1.29 0.00 0.00 177.43 176.22 1dmo n LEU 112 N -2.70 1.73 -1.63 0.34 7.94 -1.18 -5.04 117.00 116.46 1dmo n LEU 112 Ca 0.04 0.23 -0.00 0.00 -1.11 0.00 0.00 56.01 55.17 1dmo n LEU 112 Cb 0.49 -0.17 0.00 0.00 0.53 0.00 0.00 43.42 44.27 1dmo n LEU 112 CO 0.34 -0.17 0.03 0.61 -1.11 0.00 0.00 177.39 177.09 1dmo n GLY 113 N 1.95 -0.39 0.44 -3.96 0.00 -1.17 -5.06 105.19 97.00 1dmo n GLY 113 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.04 0.00 -0.27 1.61 -0.58 -1.26 -4.97 120.64 114.12 1dmo n GLU 114 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1dmo n GLU 114 Cb 0.49 -0.09 0.00 0.00 -0.57 0.00 0.00 31.44 31.26 1dmo n GLU 114 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1dmo n LYS 115 N -2.00 0.00 -4.12 3.49 5.02 -1.26 -5.07 118.16 114.23 1dmo n LYS 115 Ca 0.00 -0.46 -0.34 0.00 -2.02 0.00 0.00 58.31 55.49 1dmo n LYS 115 Cb 0.00 -0.30 -0.15 0.00 -0.02 0.00 0.00 35.03 34.56 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 2.56 0.11 -0.35 2.01 -1.26 -5.11 118.68 116.65 1dmo s LEU 116 Ca 0.00 -0.49 -0.13 0.00 0.01 0.00 0.00 54.13 53.53 1dmo s LEU 116 Cb 0.00 -1.62 -0.06 0.00 0.01 0.00 0.00 46.19 44.52 1dmo s LEU 116 CO 0.00 0.01 0.48 0.42 1.01 0.00 0.00 176.35 178.27 1dmo s THR 117 N 1.26 4.96 0.61 5.49 -4.23 -1.26 -4.84 115.64 117.63 1dmo s THR 117 Ca 0.03 0.68 0.26 0.00 -1.18 0.00 0.00 61.69 61.48 1dmo s THR 117 Cb -0.14 -3.70 0.36 0.00 1.34 0.00 0.00 72.50 70.36 1dmo s THR 117 CO -0.06 0.29 1.47 0.44 -0.54 0.00 0.00 174.62 176.22 1dmo h ASP 118 N 3.70 0.00 -0.00 3.99 3.32 -1.97 0.60 116.42 126.06 1dmo h ASP 118 Ca -0.49 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.56 1dmo h ASP 118 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1dmo h ASP 118 CO 0.66 0.00 -0.02 -0.33 -1.72 0.00 0.00 179.24 177.83 1dmo h GLU 119 N 0.00 0.01 0.00 3.56 5.08 -2.00 -2.18 114.58 119.05 1dmo h GLU 119 Ca 0.37 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.67 1dmo h GLU 119 Cb 2.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.57 1dmo h GLU 119 CO -0.00 0.74 -0.24 0.93 -1.00 0.00 0.00 179.01 179.44 1dmo h GLU 120 N -0.71 0.00 -0.17 2.33 4.39 -0.28 -2.49 114.58 117.65 1dmo h GLU 120 Ca -0.00 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.49 1dmo h GLU 120 Cb 0.75 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.40 1dmo h GLU 120 CO 0.00 0.24 -0.72 0.28 -1.16 0.00 0.00 179.01 177.65 1dmo h VAL 121 N 0.00 1.30 -0.33 3.13 2.07 -0.90 -2.26 116.25 119.26 1dmo h VAL 121 Ca -0.00 -1.95 -0.07 0.00 0.82 0.00 0.00 66.70 65.50 1dmo h VAL 121 Cb 0.57 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 1dmo h VAL 121 CO 0.03 0.61 -0.08 0.44 0.02 0.00 0.00 177.57 178.60 1dmo h ASP 122 N 0.51 0.63 0.15 0.57 3.32 -1.07 0.20 116.42 120.73 1dmo h ASP 122 Ca -0.03 -0.36 -0.07 0.00 0.02 0.00 0.00 57.03 56.59 1dmo h ASP 122 Cb 1.33 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 1dmo h ASP 122 CO 0.15 0.85 -0.24 -0.33 -1.72 0.00 0.00 179.24 177.94 1dmo h GLU 123 N 0.41 0.17 0.16 3.56 3.07 -1.49 -2.48 114.58 117.99 1dmo h GLU 123 Ca 0.08 -0.05 -0.30 0.00 -0.50 0.00 0.00 59.36 58.58 1dmo h GLU 123 Cb 0.57 -0.02 0.01 0.00 -0.84 0.00 0.00 28.75 28.48 1dmo h GLU 123 CO 0.03 0.41 -1.42 1.98 -1.40 0.00 0.00 179.01 178.62 1dmo h MET 124 N 0.16 0.35 -0.50 2.33 4.05 -1.20 -3.30 114.93 116.82 1dmo h MET 124 Ca 0.03 -0.60 -0.02 0.00 -0.28 0.00 0.00 59.70 58.83 1dmo h MET 124 Cb 0.52 0.22 -0.02 0.00 -0.80 0.00 0.00 31.60 31.52 1dmo h MET 124 CO 0.04 1.26 0.22 0.82 0.23 0.00 0.00 176.91 179.48 1dmo h ILE 125 N 0.10 1.17 0.00 1.77 2.04 -0.42 -0.95 117.51 121.22 1dmo h ILE 125 Ca -0.21 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 1dmo h ILE 125 Cb 2.05 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 38.68 1dmo h ILE 125 CO 0.21 0.21 -0.06 -0.09 0.00 0.00 0.00 178.15 178.41 1dmo h ARG 126 N 0.70 0.00 -0.38 2.37 2.43 -1.52 -1.93 114.38 116.05 1dmo h ARG 126 Ca 0.17 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 59.15 1dmo h ARG 126 Cb 0.10 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 29.53 1dmo h ARG 126 CO -0.02 0.06 -0.07 -0.85 -1.51 0.00 0.00 179.97 177.59 1dmo n GLU 127 N -4.10 1.85 -0.76 0.20 0.28 -0.43 -4.78 120.64 112.90 1dmo n GLU 127 Ca -0.03 -3.20 -0.07 0.00 -0.16 0.00 0.00 57.16 53.70 1dmo n GLU 127 Cb 0.15 -1.83 -0.10 0.00 1.43 0.00 0.00 31.44 31.09 1dmo n GLU 127 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1dmo n ALA 128 N -1.13 5.22 -2.27 -1.84 0.00 -0.73 -4.68 120.51 115.09 1dmo n ALA 128 Ca 0.35 -1.07 -0.05 0.00 0.00 0.00 0.00 53.44 52.67 1dmo n ALA 128 Cb 1.06 -1.84 -0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 2.15 -1.95 -4.78 0.00 6.94 -1.26 -4.75 115.26 111.62 1dmo n ASN 129 Ca 0.25 0.34 -0.30 0.00 -0.02 0.00 0.00 54.58 54.86 1dmo n ASN 129 Cb 0.72 -1.80 0.11 0.00 -2.36 0.00 0.00 39.78 36.44 1dmo n ASN 129 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1dmo s ILE 130 N -2.10 2.90 0.03 1.53 1.01 -1.26 -4.91 121.20 118.40 1dmo s ILE 130 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.94 1dmo s ILE 130 Cb 0.00 -2.95 0.00 0.00 0.01 0.00 0.00 42.46 39.52 1dmo s ILE 130 CO 0.00 -0.38 0.00 -0.90 0.00 0.00 0.00 174.94 173.66 1dmo n ASP 131 N -3.59 -0.24 -0.09 3.58 5.75 -1.26 -5.00 116.55 115.70 1dmo n ASP 131 Ca 0.07 0.09 -0.10 0.00 -0.01 0.00 0.00 54.79 54.84 1dmo n ASP 131 Cb 0.56 0.43 -0.07 0.00 -1.03 0.00 0.00 41.12 41.01 1dmo n ASP 131 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1dmo h GLY 132 N 0.00 -1.29 0.00 6.12 0.00 -1.91 -3.46 103.07 102.54 1dmo h GLY 132 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 47.33 48.08 1dmo h GLY 132 CO 0.00 -0.30 0.00 1.34 0.00 0.00 0.00 176.54 177.58 1dmo n ASP 133 N -4.58 -3.27 0.00 0.19 2.03 -1.26 -5.00 116.55 104.66 1dmo n ASP 133 Ca -0.03 0.80 0.00 0.00 0.52 0.00 0.00 54.79 56.09 1dmo n ASP 133 Cb 0.24 3.15 0.00 0.00 -0.72 0.00 0.00 41.12 43.79 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 -1.39 0.72 3.78 0.27 0.00 -1.26 -5.10 105.19 102.21 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 0.00 2.96 -0.08 1.61 1.11 -1.26 -1.28 119.66 122.72 1dmo s GLN 135 Ca 0.00 1.28 -0.03 0.00 0.01 0.00 0.00 55.36 56.62 1dmo s GLN 135 Cb 0.00 -1.98 0.05 0.00 -1.01 0.00 0.00 33.01 30.07 1dmo s GLN 135 CO 0.00 -1.11 0.16 0.08 0.01 0.00 0.00 175.29 174.43 1dmo s VAL 136 N -2.46 -0.20 -1.08 1.09 1.01 0.15 -4.72 120.40 114.19 1dmo s VAL 136 Ca 0.65 0.29 -0.23 0.00 0.00 0.00 0.00 61.98 62.69 1dmo s VAL 136 Cb -0.18 -0.28 -0.08 0.00 0.00 0.00 0.00 36.38 35.84 1dmo s VAL 136 CO 0.42 0.12 1.95 0.54 0.00 0.00 0.00 175.10 178.13 1dmo s ASN 137 N 1.92 5.00 0.61 3.32 2.20 -1.26 -1.37 114.94 125.36 1dmo s ASN 137 Ca -0.01 -1.27 0.21 0.00 -0.94 0.00 0.00 52.86 50.84 1dmo s ASN 137 Cb -0.12 -2.58 0.71 0.00 -2.00 0.00 0.00 41.25 37.26 1dmo s ASN 137 CO -0.06 -3.03 1.21 0.00 -2.94 0.00 0.00 177.10 172.29 1dmo n TYR 138 N 14.47 0.00 0.29 1.54 0.18 -1.25 0.01 117.16 132.40 1dmo n TYR 138 Ca 0.43 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 60.09 1dmo n TYR 138 Cb 0.47 -0.20 -0.06 0.00 -0.38 0.00 0.00 39.34 39.17 1dmo n TYR 138 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 1dmo h GLU 139 N 0.00 -0.75 -0.07 -3.48 4.57 -1.85 0.37 114.58 113.37 1dmo h GLU 139 Ca 0.39 0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.64 1dmo h GLU 139 Cb 2.70 0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 31.46 1dmo h GLU 139 CO -0.00 -0.50 0.18 0.93 -1.18 0.00 0.00 179.01 178.43 1dmo h GLU 140 N -1.16 0.00 0.10 1.92 4.39 -0.81 0.83 114.58 119.85 1dmo h GLU 140 Ca -0.08 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.38 1dmo h GLU 140 Cb 0.60 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.27 1dmo h GLU 140 CO 0.13 0.00 -0.98 0.35 -1.16 0.00 0.00 179.01 177.35 1dmo h PHE 141 N 0.00 0.80 -0.51 4.33 3.04 -0.98 -2.18 116.94 121.45 1dmo h PHE 141 Ca 0.03 -0.50 0.15 0.00 3.98 0.00 0.00 57.97 61.62 1dmo h PHE 141 Cb 0.39 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 38.82 1dmo h PHE 141 CO 0.00 1.36 0.41 0.28 -2.02 0.00 0.00 178.31 178.34 1dmo h VAL 142 N 0.02 0.59 0.11 1.41 2.07 0.23 -1.64 116.25 119.04 1dmo h VAL 142 Ca -0.15 0.00 -0.35 0.00 0.82 0.00 0.00 66.70 67.02 1dmo h VAL 142 Cb 1.70 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 1dmo h VAL 142 CO 0.19 0.00 -1.92 0.00 0.02 0.00 0.00 177.57 175.86 1dmo n GLN 143 N -4.13 0.74 0.04 1.57 6.02 -1.13 -3.93 117.38 116.55 1dmo n GLN 143 Ca 0.09 0.30 0.04 0.00 -0.01 0.00 0.00 57.00 57.43 1dmo n GLN 143 Cb 0.62 -1.71 0.20 0.00 1.02 0.00 0.00 30.24 30.37 1dmo n GLN 143 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1dmo n MET 144 N -3.60 0.04 0.00 -1.09 2.81 -0.73 -0.70 117.12 113.85 1dmo n MET 144 Ca -0.32 0.46 0.12 0.00 -1.81 0.00 0.00 57.70 56.15 1dmo n MET 144 Cb 1.00 -1.60 0.31 0.00 -0.71 0.00 0.00 33.22 32.23 1dmo n MET 144 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1dmo n MET 145 N -1.67 0.01 -0.05 0.03 2.81 -0.70 -4.41 117.12 113.14 1dmo n MET 145 Ca 0.01 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.84 1dmo n MET 145 Cb 0.06 -1.51 -0.02 0.00 -0.71 0.00 0.00 33.22 31.04 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 -1.53 1.00 -1.70 2.03 -1.04 0.12 -4.95 114.28 108.22 1dmo n THR 146 Ca 0.06 0.26 -0.44 0.00 -2.04 0.00 0.00 64.05 61.89 1dmo n THR 146 Cb 0.34 -2.03 -0.04 0.00 -1.82 0.00 0.00 70.33 66.78 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 -3.78 2.17 -0.08 2.41 0.00 -1.09 -5.16 120.51 114.98 1dmo n ALA 147 Ca -0.09 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1dmo n ALA 147 Cb 0.33 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.32 1dmo n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67