#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dmo s ASP 2 N 0.00 6.94 -0.44 0.00 1.01 -1.26 -5.00 116.67 117.91 1dmo s ASP 2 Ca 0.00 1.12 0.07 0.00 0.71 0.00 0.00 52.55 54.45 1dmo s ASP 2 Cb 0.00 -2.37 0.23 0.00 1.01 0.00 0.00 42.92 41.79 1dmo s ASP 2 CO 0.00 0.00 0.51 1.67 0.21 0.00 0.00 175.17 177.56 1dmo n GLN 3 N 3.28 0.88 -3.10 8.23 7.27 -1.26 -5.08 117.38 127.59 1dmo n GLN 3 Ca -0.05 -3.46 -0.42 0.00 0.07 0.00 0.00 57.00 53.15 1dmo n GLN 3 Cb 0.51 -1.50 -0.07 0.00 2.41 0.00 0.00 30.24 31.59 1dmo n GLN 3 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1dmo s LEU 4 N -1.08 4.28 0.73 1.69 1.43 -1.26 -4.83 118.68 119.64 1dmo s LEU 4 Ca 0.35 0.09 -0.16 0.00 -1.03 0.00 0.00 54.13 53.38 1dmo s LEU 4 Cb 0.13 -2.79 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 1dmo s LEU 4 CO -0.12 -0.63 0.49 0.35 0.23 0.00 0.00 176.35 176.67 1dmo n THR 5 N 5.64 1.66 0.16 5.49 -2.24 -1.26 -4.82 114.28 118.90 1dmo n THR 5 Ca -0.01 -0.40 -0.13 0.00 -2.27 0.00 0.00 64.05 61.24 1dmo n THR 5 Cb 0.48 -0.70 -0.08 0.00 -2.10 0.00 0.00 70.33 67.93 1dmo n THR 5 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1dmo h GLU 6 N -0.40 -0.40 -0.89 -0.78 5.08 -1.99 -2.68 114.58 112.52 1dmo h GLU 6 Ca -0.45 0.03 0.22 0.00 -1.00 0.00 0.00 59.36 58.16 1dmo h GLU 6 Cb 1.35 0.09 -0.13 0.00 0.50 0.00 0.00 28.75 30.56 1dmo h GLU 6 CO 0.42 -0.09 0.36 0.93 -1.00 0.00 0.00 179.01 179.63 1dmo h GLU 7 N -0.76 0.34 -0.63 2.33 4.39 -1.99 0.70 114.58 118.97 1dmo h GLU 7 Ca -0.04 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.68 1dmo h GLU 7 Cb 0.50 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 29.03 1dmo h GLU 7 CO 0.07 0.23 0.37 1.96 -1.16 0.00 0.00 179.01 180.47 1dmo h GLN 8 N 0.35 0.68 0.00 2.33 1.08 -1.89 0.31 115.11 117.96 1dmo h GLN 8 Ca 0.56 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.70 1dmo h GLN 8 Cb 1.08 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 28.36 1dmo h GLN 8 CO -0.56 0.45 -0.09 0.82 -0.95 0.00 0.00 178.83 178.51 1dmo h ILE 9 N 0.70 0.39 0.12 2.54 2.04 0.63 -0.07 117.51 123.87 1dmo h ILE 9 Ca 0.27 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1dmo h ILE 9 Cb 0.09 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1dmo h ILE 9 CO -0.14 0.09 -0.06 0.00 0.00 0.00 0.00 178.15 178.04 1dmo h ALA 10 N 1.91 -0.16 -0.10 1.87 0.00 0.19 -2.18 119.26 120.78 1dmo h ALA 10 Ca -0.00 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1dmo h ALA 10 Cb 0.34 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1dmo h ALA 10 CO 0.01 -0.18 0.13 0.93 0.00 0.00 0.00 179.25 180.15 1dmo h GLU 11 N -1.00 0.00 0.53 0.00 5.08 -0.65 -1.97 114.58 116.57 1dmo h GLU 11 Ca -0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1dmo h GLU 11 Cb 0.36 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.61 1dmo h GLU 11 CO 0.03 0.00 -0.25 0.74 -1.00 0.00 0.00 179.01 178.52 1dmo h PHE 12 N 0.00 -0.66 -1.07 4.33 -1.00 -0.99 -2.78 116.94 114.78 1dmo h PHE 12 Ca 0.05 -0.02 0.29 0.00 2.81 0.00 0.00 57.97 61.10 1dmo h PHE 12 Cb 0.31 0.22 -0.07 0.00 3.61 0.00 0.00 35.95 40.02 1dmo h PHE 12 CO 0.00 -0.41 0.73 -0.22 -1.61 0.00 0.00 178.31 176.80 1dmo h LYS 13 N -1.11 0.20 0.62 1.51 3.64 -0.74 0.13 116.57 120.82 1dmo h LYS 13 Ca -0.07 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1dmo h LYS 13 Cb 0.54 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1dmo h LYS 13 CO 0.12 0.13 -0.45 1.49 -2.27 0.00 0.00 179.45 178.46 1dmo h GLU 14 N 0.20 -1.00 0.34 1.90 4.81 -1.24 1.04 114.58 120.64 1dmo h GLU 14 Ca 0.56 0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.85 1dmo h GLU 14 Cb 1.80 0.23 -0.02 0.00 0.63 0.00 0.00 28.75 31.39 1dmo h GLU 14 CO -0.16 -0.67 -0.30 0.00 -0.73 0.00 0.00 179.01 177.16 1dmo h ALA 15 N -0.85 -0.65 -0.46 2.92 0.00 -0.56 0.84 119.26 120.51 1dmo h ALA 15 Ca -0.08 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 54.86 1dmo h ALA 15 Cb 0.86 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1dmo h ALA 15 CO 0.03 -0.90 0.40 0.35 0.00 0.00 0.00 179.25 179.13 1dmo h PHE 16 N -0.65 0.00 0.00 0.00 3.04 -0.84 0.19 116.94 118.67 1dmo h PHE 16 Ca -0.02 0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.83 1dmo h PHE 16 Cb 0.58 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.07 1dmo h PHE 16 CO -0.16 0.00 -1.25 0.45 -2.02 0.00 0.00 178.31 175.32 1dmo n SER 17 N -4.04 0.83 0.12 0.41 2.88 0.36 -3.75 113.62 110.43 1dmo n SER 17 Ca 0.08 0.35 -0.01 0.00 -1.33 0.00 0.00 58.87 57.96 1dmo n SER 17 Cb 0.59 0.33 0.23 0.00 -0.75 0.00 0.00 64.21 64.62 1dmo n SER 17 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1dmo h LEU 18 N 0.00 0.16 -3.71 2.46 3.38 0.38 -2.76 115.31 115.21 1dmo h LEU 18 Ca -0.09 -0.07 -0.23 0.00 0.09 0.00 0.00 57.88 57.58 1dmo h LEU 18 Cb 1.32 -0.04 -0.14 0.00 0.09 0.00 0.00 40.66 41.89 1dmo h LEU 18 CO 0.02 0.60 0.27 0.49 0.09 0.00 0.00 178.44 179.91 1dmo n PHE 19 N -3.99 2.35 -2.02 1.13 3.72 -0.93 -4.97 117.46 112.75 1dmo n PHE 19 Ca -0.02 -1.27 -0.28 0.00 -0.05 0.00 0.00 57.45 55.84 1dmo n PHE 19 Cb 0.50 -0.68 0.08 0.00 -0.94 0.00 0.00 39.48 38.44 1dmo n PHE 19 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 1dmo s ASP 20 N -1.21 4.67 0.00 4.37 -4.77 -1.04 -4.88 116.67 113.81 1dmo s ASP 20 Ca 0.54 0.67 0.00 0.00 -3.30 0.00 0.00 52.55 50.46 1dmo s ASP 20 Cb 0.44 -1.24 0.00 0.00 -1.09 0.00 0.00 42.92 41.03 1dmo s ASP 20 CO 0.12 -1.76 0.00 1.17 0.70 0.00 0.00 175.17 175.40 1dmo n LYS 21 N -3.15 0.00 -0.37 2.11 4.81 -1.26 -5.03 118.16 115.27 1dmo n LYS 21 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1dmo n LYS 21 Cb 0.61 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.66 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 -1.61 0.00 -1.79 3.14 8.00 -1.26 -4.94 116.55 118.08 1dmo n ASP 22 Ca 0.00 -1.16 -0.06 0.00 0.71 0.00 0.00 54.79 54.28 1dmo n ASP 22 Cb 0.00 -0.03 -0.08 0.00 -0.02 0.00 0.00 41.12 40.99 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 0.00 2.60 2.32 0.44 0.00 -1.26 -4.64 105.19 104.65 1dmo n GLY 23 Ca 0.00 -0.56 -0.04 0.00 0.00 0.00 0.00 46.02 45.42 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 2.04 -3.14 0.00 1.61 8.00 -1.26 -1.71 116.55 122.09 1dmo n ASP 24 Ca 0.20 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.79 1dmo n ASP 24 Cb 0.66 -2.36 0.00 0.00 -0.02 0.00 0.00 41.12 39.40 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 0.29 0.82 3.28 0.44 0.00 -1.26 -5.12 105.19 103.64 1dmo n GLY 25 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.97 0.08 0.36 2.61 -4.23 -0.69 -4.07 115.64 108.72 1dmo s THR 26 Ca 0.00 -0.62 0.08 0.00 -1.18 0.00 0.00 61.69 59.97 1dmo s THR 26 Cb 0.00 -1.01 -0.05 0.00 1.34 0.00 0.00 72.50 72.78 1dmo s THR 26 CO 0.00 -0.34 0.10 0.27 -0.54 0.00 0.00 174.62 174.11 1dmo s ILE 27 N -2.84 2.66 -0.04 2.99 -4.36 -0.51 -4.21 121.20 114.90 1dmo s ILE 27 Ca -0.03 -1.80 -0.03 0.00 -0.26 0.00 0.00 60.65 58.53 1dmo s ILE 27 Cb 0.00 -2.92 -0.04 0.00 1.25 0.00 0.00 42.46 40.75 1dmo s ILE 27 CO -0.05 -0.13 0.15 0.42 0.24 0.00 0.00 174.94 175.57 1dmo s THR 28 N -2.51 5.33 0.49 8.37 -4.23 -1.26 -0.19 115.64 121.64 1dmo s THR 28 Ca 0.38 -0.10 0.32 0.00 -1.18 0.00 0.00 61.69 61.11 1dmo s THR 28 Cb 0.00 -3.43 0.48 0.00 1.34 0.00 0.00 72.50 70.89 1dmo s THR 28 CO 0.21 0.41 1.21 0.35 -0.54 0.00 0.00 174.62 176.27 1dmo n THR 29 N 1.28 0.00 0.15 3.99 -2.24 -1.26 0.77 114.28 116.97 1dmo n THR 29 Ca -0.14 1.17 -0.07 0.00 -2.27 0.00 0.00 64.05 62.74 1dmo n THR 29 Cb 0.53 -2.01 -0.03 0.00 -2.10 0.00 0.00 70.33 66.72 1dmo n THR 29 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1dmo h LYS 30 N 0.00 -0.43 0.00 -0.78 1.63 -1.92 -2.93 116.57 112.14 1dmo h LYS 30 Ca 0.61 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.43 1dmo h LYS 30 Cb 2.85 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 34.58 1dmo h LYS 30 CO -0.01 -0.29 0.06 0.39 -3.45 0.00 0.00 179.45 176.16 1dmo n GLU 31 N -4.85 0.00 0.18 1.90 -0.58 0.23 -2.57 120.64 114.95 1dmo n GLU 31 Ca -0.06 0.35 -0.08 0.00 -0.42 0.00 0.00 57.16 56.95 1dmo n GLU 31 Cb 0.18 -1.56 -0.04 0.00 -0.57 0.00 0.00 31.44 29.45 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 -0.49 -0.95 -4.62 5.85 -0.96 -1.88 115.31 112.26 1dmo h LEU 32 Ca 0.00 0.03 0.29 0.00 0.84 0.00 0.00 57.88 59.03 1dmo h LEU 32 Cb 0.12 0.14 -0.17 0.00 0.37 0.00 0.00 40.66 41.13 1dmo h LEU 32 CO 0.00 -0.30 0.19 1.23 -0.34 0.00 0.00 178.44 179.22 1dmo h GLY 33 N -0.49 1.47 0.71 3.75 0.00 -1.63 0.37 103.07 107.25 1dmo h GLY 33 Ca -0.04 0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.34 1dmo h GLY 33 CO 0.05 -0.52 -0.13 -0.84 0.00 0.00 0.00 176.54 175.10 1dmo h THR 34 N 0.07 0.69 0.55 4.70 2.02 -1.65 -0.87 112.91 118.42 1dmo h THR 34 Ca 0.63 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.79 1dmo h THR 34 Cb 1.38 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 1dmo h THR 34 CO -0.81 0.00 -0.39 0.58 0.37 0.00 0.00 175.52 175.28 1dmo h VAL 35 N -0.22 0.00 -1.13 3.16 2.07 0.50 -1.21 116.25 119.42 1dmo h VAL 35 Ca 0.04 0.00 0.33 0.00 0.82 0.00 0.00 66.70 67.89 1dmo h VAL 35 Cb 0.27 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.99 1dmo h VAL 35 CO -0.11 0.00 1.01 0.24 0.02 0.00 0.00 177.57 178.72 1dmo h MET 36 N -0.90 0.00 0.20 1.57 2.86 -1.07 0.30 114.93 117.89 1dmo h MET 36 Ca -0.07 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1dmo h MET 36 Cb 0.73 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.40 1dmo h MET 36 CO 0.04 0.00 -0.10 -0.09 1.06 0.00 0.00 176.91 177.82 1dmo h ARG 37 N 0.00 -0.26 0.00 1.72 2.43 0.08 0.24 114.38 118.59 1dmo h ARG 37 Ca 0.54 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.72 1dmo h ARG 37 Cb 2.54 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 32.15 1dmo h ARG 37 CO -0.01 0.13 0.00 0.43 -1.51 0.00 0.00 179.97 179.01 1dmo n SER 38 N -4.99 0.00 -0.09 -3.80 7.64 0.09 -3.33 113.62 109.14 1dmo n SER 38 Ca -0.08 -0.01 -0.14 0.00 1.01 0.00 0.00 58.87 59.65 1dmo n SER 38 Cb 0.26 -0.32 -0.14 0.00 -1.01 0.00 0.00 64.21 63.00 1dmo n SER 38 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1dmo n LEU 39 N -1.32 1.47 0.00 -3.43 0.00 0.82 -4.98 117.00 109.55 1dmo n LEU 39 Ca 0.12 0.03 0.00 0.00 0.00 0.00 0.00 56.01 56.16 1dmo n LEU 39 Cb 0.25 -0.23 0.00 0.00 0.00 0.00 0.00 43.42 43.44 1dmo n LEU 39 CO 0.23 0.68 0.00 0.61 0.00 0.00 0.00 177.39 178.91 1dmo n GLY 40 N 1.93 0.92 3.43 -3.96 0.00 0.85 -5.03 105.19 103.33 1dmo n GLY 40 Ca -0.35 -0.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 1dmo n GLY 40 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1dmo s GLN 41 N 0.41 1.16 -0.48 1.61 -2.07 -1.13 -4.94 119.66 114.22 1dmo s GLN 41 Ca 0.00 -0.26 -0.12 0.00 -1.82 0.00 0.00 55.36 53.16 1dmo s GLN 41 Cb 0.00 0.54 -0.12 0.00 -1.09 0.00 0.00 33.01 32.33 1dmo s GLN 41 CO 0.00 -0.46 1.22 -1.71 -1.32 0.00 0.00 175.29 173.03 1dmo n ASN 42 N 0.10 -0.11 -4.74 12.60 5.15 -1.26 -4.59 115.26 122.41 1dmo n ASN 42 Ca -0.18 -0.02 -0.30 0.00 -0.60 0.00 0.00 54.58 53.48 1dmo n ASN 42 Cb 0.62 -0.39 0.12 0.00 -0.53 0.00 0.00 39.78 39.60 1dmo n ASN 42 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1dmo s PRO 43 N 4.05 1.60 -0.17 1.20 0.05 -1.26 -5.02 135.00 135.45 1dmo s PRO 43 Ca 0.65 0.92 -0.11 0.00 0.05 0.00 0.00 61.00 62.51 1dmo s PRO 43 Cb -0.55 -1.84 -0.05 0.00 0.05 0.00 0.00 34.50 32.11 1dmo s PRO 43 CO 0.25 -2.03 0.18 0.99 0.05 0.00 0.00 177.00 176.44 1dmo s THR 44 N -2.93 5.39 0.57 1.26 2.01 -1.26 -4.95 115.64 115.72 1dmo s THR 44 Ca 0.63 0.31 0.32 0.00 0.31 0.00 0.00 61.69 63.25 1dmo s THR 44 Cb -0.18 -3.51 0.46 0.00 0.01 0.00 0.00 72.50 69.28 1dmo s THR 44 CO 0.57 0.46 1.81 1.05 -0.69 0.00 0.00 174.62 177.82 1dmo h GLU 45 N 6.31 0.00 0.04 4.92 -0.00 -1.98 0.19 114.58 124.06 1dmo h GLU 45 Ca -0.44 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 58.92 1dmo h GLU 45 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.92 1dmo h GLU 45 CO 0.72 0.00 -0.02 0.00 -0.00 0.00 0.00 179.01 179.71 1dmo h ALA 46 N 1.38 -0.21 -0.96 1.06 0.00 -1.99 -2.69 119.26 115.84 1dmo h ALA 46 Ca 0.39 -0.01 0.25 0.00 0.00 0.00 0.00 54.91 55.54 1dmo h ALA 46 Cb 1.79 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 19.47 1dmo h ALA 46 CO -0.00 -0.21 0.50 1.49 0.00 0.00 0.00 179.25 181.03 1dmo h GLU 47 N -0.21 0.43 -0.45 0.00 4.57 -1.88 0.83 114.58 117.86 1dmo h GLU 47 Ca -0.01 -0.03 0.09 0.00 -1.18 0.00 0.00 59.36 58.24 1dmo h GLU 47 Cb 0.04 -0.10 -0.08 0.00 -0.16 0.00 0.00 28.75 28.45 1dmo h GLU 47 CO 0.01 0.28 -0.09 1.25 -1.18 0.00 0.00 179.01 179.28 1dmo h LEU 48 N 0.44 -0.37 -1.50 1.64 5.85 -0.72 0.53 115.31 121.18 1dmo h LEU 48 Ca 0.63 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 59.44 1dmo h LEU 48 Cb 1.27 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 1dmo h LEU 48 CO -0.54 -0.13 -0.16 -0.61 -0.34 0.00 0.00 178.44 176.67 1dmo h GLN 49 N 0.02 0.12 -0.57 1.25 4.15 0.92 -1.94 115.11 119.08 1dmo h GLN 49 Ca 0.22 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.57 1dmo h GLN 49 Cb 0.34 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.98 1dmo h GLN 49 CO -0.45 0.29 0.17 0.22 -1.93 0.00 0.00 178.83 177.13 1dmo h ASP 50 N 0.12 0.79 0.01 -0.69 3.58 0.22 -2.42 116.42 118.02 1dmo h ASP 50 Ca 0.02 -0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.35 1dmo h ASP 50 Cb 0.36 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.20 1dmo h ASP 50 CO 0.02 0.75 -0.01 0.24 -2.88 0.00 0.00 179.24 177.37 1dmo h MET 51 N 0.83 -0.02 -1.00 0.28 2.86 -0.25 -2.39 114.93 115.24 1dmo h MET 51 Ca 0.19 0.00 0.22 0.00 -2.06 0.00 0.00 59.70 58.05 1dmo h MET 51 Cb 0.25 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 31.81 1dmo h MET 51 CO -0.01 0.29 0.62 0.82 1.06 0.00 0.00 176.91 179.69 1dmo h ILE 52 N -0.33 0.62 -0.48 -1.22 5.03 -1.26 0.59 117.51 120.46 1dmo h ILE 52 Ca -0.00 -0.21 -0.08 0.00 -0.12 0.00 0.00 64.86 64.45 1dmo h ILE 52 Cb 0.32 -0.05 -0.02 0.00 -3.03 0.00 0.00 36.82 34.04 1dmo h ILE 52 CO 0.00 0.11 -0.01 0.78 -0.68 0.00 0.00 178.15 178.36 1dmo h ASN 53 N 0.62 0.77 -0.32 1.72 -0.26 -1.16 -2.83 115.58 114.12 1dmo h ASN 53 Ca 0.59 -0.19 0.07 0.00 -0.56 0.00 0.00 56.30 56.21 1dmo h ASN 53 Cb 1.13 -0.21 -0.06 0.00 -1.06 0.00 0.00 38.32 38.12 1dmo h ASN 53 CO -0.38 0.84 -0.11 -0.08 -1.06 0.00 0.00 177.43 176.65 1dmo h GLU 54 N 0.75 -0.04 0.00 0.81 4.57 0.68 -3.43 114.58 117.92 1dmo h GLU 54 Ca 0.14 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1dmo h GLU 54 Cb 0.47 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 1dmo h GLU 54 CO 0.02 -0.03 0.00 1.33 -1.18 0.00 0.00 179.01 179.16 1dmo n VAL 55 N -5.29 0.00 -1.89 0.32 0.24 -1.02 -4.71 118.33 105.98 1dmo n VAL 55 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1dmo n VAL 55 Cb 0.20 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.57 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 0.00 -0.69 -0.08 -1.34 2.03 -1.22 -4.69 116.55 110.56 1dmo n ASP 56 Ca 0.00 0.35 -0.06 0.00 0.52 0.00 0.00 54.79 55.59 1dmo n ASP 56 Cb 0.00 -0.70 -0.02 0.00 -0.72 0.00 0.00 41.12 39.67 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 -1.76 0.52 0.00 -1.67 0.00 -1.26 -4.01 120.51 112.33 1dmo n ALA 57 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1dmo n ALA 57 Cb 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.78 1dmo n ALA 57 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1dmo n ASP 58 N -4.59 0.00 -1.19 0.00 2.03 -1.26 -4.72 116.55 106.82 1dmo n ASP 58 Ca -0.10 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1dmo n ASP 58 Cb 0.32 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 1dmo n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1dmo n GLY 59 N -1.09 0.71 0.06 0.27 0.00 -1.26 -5.01 105.19 98.87 1dmo n GLY 59 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.11 0.04 0.00 1.61 5.03 -1.26 -4.93 115.26 114.63 1dmo n ASN 60 Ca 0.00 0.02 0.00 0.00 0.87 0.00 0.00 54.58 55.47 1dmo n ASN 60 Cb 0.40 1.42 0.00 0.00 -1.02 0.00 0.00 39.78 40.58 1dmo n ASN 60 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1dmo n GLY 61 N 1.51 0.82 3.37 7.41 0.00 -1.26 -4.83 105.19 112.21 1dmo n GLY 61 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.44 0.00 -0.05 2.61 -4.23 -1.26 -4.22 115.64 107.05 1dmo s THR 62 Ca 0.00 -1.74 0.05 0.00 -1.18 0.00 0.00 61.69 58.82 1dmo s THR 62 Cb 0.00 -2.38 -0.01 0.00 1.34 0.00 0.00 72.50 71.45 1dmo s THR 62 CO 0.00 0.00 -0.21 -0.63 -0.54 0.00 0.00 174.62 173.24 1dmo s ILE 63 N -4.07 1.71 0.40 2.99 1.01 0.74 -4.80 121.20 119.18 1dmo s ILE 63 Ca 0.32 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 60.10 1dmo s ILE 63 Cb 0.04 -1.45 -0.01 0.00 0.01 0.00 0.00 42.46 41.04 1dmo s ILE 63 CO 0.11 0.48 0.59 -0.62 0.00 0.00 0.00 174.94 175.51 1dmo s ASP 64 N -0.12 5.99 0.20 3.58 -1.08 -1.26 -1.42 116.67 122.57 1dmo s ASP 64 Ca -0.02 0.24 -0.10 0.00 -0.52 0.00 0.00 52.55 52.15 1dmo s ASP 64 Cb -0.12 -1.62 0.27 0.00 -1.46 0.00 0.00 42.92 39.98 1dmo s ASP 64 CO 0.02 -0.53 1.74 0.15 0.52 0.00 0.00 175.17 177.07 1dmo h PHE 65 N 0.60 0.34 -0.02 -5.34 3.57 -1.98 0.05 116.94 114.18 1dmo h PHE 65 Ca -0.47 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.09 1dmo h PHE 65 Cb 1.24 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.88 1dmo h PHE 65 CO 0.46 0.07 -0.21 -1.35 -2.23 0.00 0.00 178.31 175.06 1dmo h PRO 66 N 0.37 -0.31 -0.61 6.41 0.10 -1.94 -1.84 132.00 134.17 1dmo h PRO 66 Ca 0.30 0.02 0.04 0.00 0.10 0.00 0.00 66.00 66.46 1dmo h PRO 66 Cb 0.38 0.07 -0.04 0.00 0.10 0.00 0.00 31.00 31.51 1dmo h PRO 66 CO -0.32 -0.21 0.36 0.93 0.10 0.00 0.00 178.00 178.87 1dmo h GLU 67 N -0.32 0.68 -1.02 1.05 5.08 -1.84 -0.46 114.58 117.75 1dmo h GLU 67 Ca 0.06 -0.04 0.25 0.00 -1.00 0.00 0.00 59.36 58.64 1dmo h GLU 67 Cb 0.41 -0.15 -0.10 0.00 0.50 0.00 0.00 28.75 29.41 1dmo h GLU 67 CO -0.20 0.45 0.65 0.35 -1.00 0.00 0.00 179.01 179.26 1dmo h PHE 68 N 0.71 0.72 0.03 4.33 3.04 -0.21 0.21 116.94 125.77 1dmo h PHE 68 Ca 0.26 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.23 1dmo h PHE 68 Cb 0.07 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.37 1dmo h PHE 68 CO -0.06 0.08 -0.02 -0.07 -2.02 0.00 0.00 178.31 176.22 1dmo h LEU 69 N 0.45 -0.04 -0.21 0.59 3.38 -0.42 0.10 115.31 119.15 1dmo h LEU 69 Ca 0.59 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 58.45 1dmo h LEU 69 Cb 1.40 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 42.09 1dmo h LEU 69 CO -0.31 0.14 -0.23 0.74 0.09 0.00 0.00 178.44 178.87 1dmo h THR 70 N -0.21 0.42 -0.56 0.22 2.02 -0.39 0.31 112.91 114.71 1dmo h THR 70 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1dmo h THR 70 Cb 0.20 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 1dmo h THR 70 CO 0.01 0.00 0.36 0.24 0.37 0.00 0.00 175.52 176.49 1dmo h MET 71 N -0.25 0.75 -0.54 6.66 2.86 -1.00 -1.46 114.93 121.94 1dmo h MET 71 Ca 0.13 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.63 1dmo h MET 71 Cb 0.45 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 1dmo h MET 71 CO -0.36 0.51 -0.02 0.52 1.06 0.00 0.00 176.91 178.61 1dmo h MET 72 N 0.76 0.95 -0.65 1.72 2.07 0.14 -2.70 114.93 117.22 1dmo h MET 72 Ca 0.20 -0.29 0.08 0.00 -2.07 0.00 0.00 59.70 57.62 1dmo h MET 72 Cb -0.06 -0.09 -0.06 0.00 -1.87 0.00 0.00 31.60 29.51 1dmo h MET 72 CO -0.04 0.95 0.31 0.00 1.07 0.00 0.00 176.91 179.20 1dmo h ALA 73 N 1.10 0.87 0.12 6.32 0.00 0.61 0.69 119.26 128.96 1dmo h ALA 73 Ca 0.16 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1dmo h ALA 73 Cb 0.54 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1dmo h ALA 73 CO 0.03 -0.07 -0.06 -0.09 0.00 0.00 0.00 179.25 179.06 1dmo h ARG 74 N 0.56 -0.16 0.00 0.00 2.43 -1.26 0.24 114.38 116.19 1dmo h ARG 74 Ca 0.31 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.46 1dmo h ARG 74 Cb 0.31 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1dmo h ARG 74 CO -0.25 -0.10 -0.14 -0.22 -1.51 0.00 0.00 179.97 177.75 1dmo h LYS 75 N -0.16 0.00 -0.00 0.20 1.63 -1.08 -0.99 116.57 116.16 1dmo h LYS 75 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1dmo h LYS 75 Cb 0.13 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 1dmo h LYS 75 CO 0.02 0.14 -0.15 -1.33 -3.45 0.00 0.00 179.45 174.69 1dmo n MET 76 N -3.54 0.45 -2.17 1.90 2.81 0.23 -4.89 117.12 111.91 1dmo n MET 76 Ca -0.01 -0.15 -0.16 0.00 -1.81 0.00 0.00 57.70 55.57 1dmo n MET 76 Cb 0.29 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.28 1dmo n MET 76 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1dmo n LYS 77 N -1.14 -1.84 -4.02 0.03 3.00 -0.01 -1.96 118.16 112.22 1dmo n LYS 77 Ca 0.12 0.81 -0.29 0.00 -0.00 0.00 0.00 58.31 58.94 1dmo n LYS 77 Cb 0.30 -5.35 -0.03 0.00 0.00 0.00 0.00 35.03 29.95 1dmo n LYS 77 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1dmo n ASP 78 N -1.61 -0.91 -3.83 3.14 2.03 -0.98 -4.95 116.55 109.45 1dmo n ASP 78 Ca -0.18 -1.10 -0.12 0.00 0.52 0.00 0.00 54.79 53.91 1dmo n ASP 78 Cb 0.61 -2.63 -0.11 0.00 -0.72 0.00 0.00 41.12 38.27 1dmo n ASP 78 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1dmo s THR 79 N -3.97 0.03 -0.08 5.18 -4.23 -0.83 -4.84 115.64 106.90 1dmo s THR 79 Ca 0.10 -0.23 0.16 0.00 -1.18 0.00 0.00 61.69 60.55 1dmo s THR 79 Cb -0.04 -0.33 0.35 0.00 1.34 0.00 0.00 72.50 73.82 1dmo s THR 79 CO 0.92 -0.12 1.16 0.47 -0.54 0.00 0.00 174.62 176.50 1dmo n ASP 80 N 2.46 1.24 -0.07 3.99 8.00 -1.26 -4.84 116.55 126.07 1dmo n ASP 80 Ca -0.16 -2.74 -0.07 0.00 0.71 0.00 0.00 54.79 52.53 1dmo n ASP 80 Cb 0.58 -0.37 -0.05 0.00 -0.02 0.00 0.00 41.12 41.25 1dmo n ASP 80 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 1dmo h SER 81 N 0.73 0.00 -0.14 -2.24 0.87 -1.97 -3.11 113.55 107.69 1dmo h SER 81 Ca -0.09 -0.30 0.04 0.00 -1.23 0.00 0.00 61.79 60.21 1dmo h SER 81 Cb 1.43 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.38 1dmo h SER 81 CO 0.04 0.79 0.51 -0.33 -0.53 0.00 0.00 176.83 177.32 1dmo h GLU 82 N -1.00 0.00 0.19 2.24 5.08 -1.95 0.32 114.58 119.46 1dmo h GLU 82 Ca -0.04 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.06 1dmo h GLU 82 Cb 0.50 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.78 1dmo h GLU 82 CO -0.03 0.00 -1.17 1.49 -1.00 0.00 0.00 179.01 178.30 1dmo h GLU 83 N 0.00 0.39 -0.75 2.33 4.57 -1.91 -1.88 114.58 117.33 1dmo h GLU 83 Ca 0.07 -0.67 -0.04 0.00 -1.18 0.00 0.00 59.36 57.53 1dmo h GLU 83 Cb 1.09 0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 29.90 1dmo h GLU 83 CO -0.00 1.32 0.29 1.49 -1.18 0.00 0.00 179.01 180.94 1dmo h GLU 84 N -0.15 1.12 0.03 1.92 4.81 -0.33 -2.70 114.58 119.29 1dmo h GLU 84 Ca -0.21 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1dmo h GLU 84 Cb 1.88 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 31.08 1dmo h GLU 84 CO 0.19 0.91 -0.02 0.82 -0.73 0.00 0.00 179.01 180.19 1dmo h ILE 85 N 1.09 1.32 -0.95 2.32 2.04 -1.39 -2.45 117.51 119.50 1dmo h ILE 85 Ca 0.25 -1.18 0.29 0.00 1.00 0.00 0.00 64.86 65.22 1dmo h ILE 85 Cb 0.21 2.11 -0.16 0.00 -0.74 0.00 0.00 36.82 38.24 1dmo h ILE 85 CO -0.02 0.30 0.29 -0.09 0.00 0.00 0.00 178.15 178.62 1dmo h ARG 86 N -0.57 0.13 -0.24 2.37 2.43 -1.18 1.40 114.38 118.73 1dmo h ARG 86 Ca -0.00 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.01 1dmo h ARG 86 Cb 0.52 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1dmo h ARG 86 CO 0.01 0.09 -0.47 1.49 -1.51 0.00 0.00 179.97 179.57 1dmo h GLU 87 N 0.13 0.63 -0.69 0.20 4.22 -1.43 -2.57 114.58 115.07 1dmo h GLU 87 Ca 0.65 -0.36 0.20 0.00 0.08 0.00 0.00 59.36 59.93 1dmo h GLU 87 Cb 1.44 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.69 1dmo h GLU 87 CO -0.74 0.97 0.54 0.00 -2.18 0.00 0.00 179.01 177.60 1dmo h ALA 88 N 0.97 2.58 0.16 2.92 0.00 0.24 0.09 119.26 126.23 1dmo h ALA 88 Ca 0.03 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 1dmo h ALA 88 Cb 1.01 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.86 1dmo h ALA 88 CO 0.09 -0.90 -1.49 0.74 0.00 0.00 0.00 179.25 177.69 1dmo h PHE 89 N 0.00 0.63 -0.36 0.00 0.04 -1.01 -3.29 116.94 112.95 1dmo h PHE 89 Ca 0.33 -0.46 0.10 0.00 2.80 0.00 0.00 57.97 60.74 1dmo h PHE 89 Cb 1.41 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 39.52 1dmo h PHE 89 CO 0.00 1.58 0.38 -0.09 -0.60 0.00 0.00 178.31 179.58 1dmo h ARG 90 N -0.09 0.00 -0.06 1.51 1.12 -0.67 0.84 114.38 117.02 1dmo h ARG 90 Ca -0.30 0.00 0.02 0.00 -1.11 0.00 0.00 59.98 58.59 1dmo h ARG 90 Cb 1.93 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.89 1dmo h ARG 90 CO 0.14 0.00 0.39 0.28 -3.11 0.00 0.00 179.97 177.67 1dmo h VAL 91 N 0.00 0.05 0.00 0.20 2.07 -1.45 0.87 116.25 117.99 1dmo h VAL 91 Ca 0.17 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.65 1dmo h VAL 91 Cb 0.93 0.62 -0.09 0.00 -1.52 0.00 0.00 31.29 31.23 1dmo h VAL 91 CO -0.00 0.00 -0.48 0.49 0.02 0.00 0.00 177.57 177.59 1dmo n PHE 92 N -2.98 0.00 -2.85 1.57 3.01 0.28 -5.06 117.46 111.43 1dmo n PHE 92 Ca -0.00 -0.84 -0.40 0.00 1.01 0.00 0.00 57.45 57.21 1dmo n PHE 92 Cb 0.45 -0.16 -0.05 0.00 -0.01 0.00 0.00 39.48 39.71 1dmo n PHE 92 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1dmo s ASP 93 N -2.42 7.45 0.00 4.37 2.15 0.30 -4.59 116.67 123.93 1dmo s ASP 93 Ca 0.28 1.73 0.00 0.00 0.43 0.00 0.00 52.55 54.99 1dmo s ASP 93 Cb 0.28 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.35 1dmo s ASP 93 CO -0.05 0.08 0.00 2.29 -0.17 0.00 0.00 175.17 177.32 1dmo n LYS 94 N 2.15 0.00 -0.01 4.34 2.85 -1.26 -4.86 118.16 121.36 1dmo n LYS 94 Ca -0.02 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.19 1dmo n LYS 94 Cb 0.49 -0.38 0.15 0.00 -0.65 0.00 0.00 35.03 34.64 1dmo n LYS 94 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 1dmo h ASP 95 N 0.00 0.58 0.00 -5.58 1.82 -1.90 -3.46 116.42 107.88 1dmo h ASP 95 Ca 0.00 -0.21 0.00 0.00 -0.39 0.00 0.00 57.03 56.43 1dmo h ASP 95 Cb 0.00 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 39.85 1dmo h ASP 95 CO 0.00 0.84 0.00 0.61 -1.61 0.00 0.00 179.24 179.08 1dmo n GLY 96 N -0.26 -0.55 4.10 -0.78 0.00 -1.26 -4.93 105.19 101.50 1dmo n GLY 96 Ca -0.01 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1dmo n GLY 96 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1dmo n ASN 97 N 0.00 -2.97 0.00 1.61 3.02 -1.26 -4.70 115.26 110.95 1dmo n ASN 97 Ca 0.00 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.32 1dmo n ASN 97 Cb 0.00 -1.48 0.00 0.00 -0.61 0.00 0.00 39.78 37.69 1dmo n ASN 97 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dmo n GLY 98 N -2.12 0.00 3.11 7.41 0.00 -1.26 -4.99 105.19 107.34 1dmo n GLY 98 Ca -0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.79 0.06 0.07 1.61 1.51 -1.26 -3.29 117.35 115.24 1dmo s TYR 99 Ca 0.00 -0.17 -0.00 0.00 -1.01 0.00 0.00 57.07 55.88 1dmo s TYR 99 Cb 0.00 -0.06 -0.04 0.00 -0.11 0.00 0.00 41.96 41.75 1dmo s TYR 99 CO 0.00 -0.30 -0.04 0.96 -1.11 0.00 0.00 175.55 175.07 1dmo s ILE 100 N -1.53 0.34 0.09 2.71 -4.36 -0.47 -4.37 121.20 113.61 1dmo s ILE 100 Ca -0.14 -1.85 -0.31 0.00 -0.26 0.00 0.00 60.65 58.10 1dmo s ILE 100 Cb -0.07 -1.58 -0.07 0.00 1.25 0.00 0.00 42.46 41.98 1dmo s ILE 100 CO 0.01 -0.95 1.39 -0.94 0.24 0.00 0.00 174.94 174.69 1dmo s SER 101 N -2.96 6.83 0.62 4.36 1.04 -1.26 -0.28 113.70 122.06 1dmo s SER 101 Ca 0.09 2.28 0.34 0.00 0.48 0.00 0.00 55.95 59.13 1dmo s SER 101 Cb 0.07 -2.58 1.92 0.00 0.10 0.00 0.00 66.02 65.53 1dmo s SER 101 CO -0.08 -0.67 2.19 0.00 0.98 0.00 0.00 173.24 175.66 1dmo h ALA 102 N 7.06 1.45 0.37 5.32 0.00 -1.83 -1.28 119.26 130.35 1dmo h ALA 102 Ca -0.41 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1dmo h ALA 102 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1dmo h ALA 102 CO 0.87 -0.15 -0.18 0.00 0.00 0.00 0.00 179.25 179.79 1dmo h ALA 103 N 1.83 -0.76 -0.77 0.00 0.00 -1.96 -1.69 119.26 115.91 1dmo h ALA 103 Ca 0.03 -0.11 0.16 0.00 0.00 0.00 0.00 54.91 54.99 1dmo h ALA 103 Cb 0.27 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.14 1dmo h ALA 103 CO -0.00 -0.72 0.27 0.93 0.00 0.00 0.00 179.25 179.73 1dmo h GLU 104 N -0.72 0.37 -0.38 0.00 3.07 -1.88 0.22 114.58 115.26 1dmo h GLU 104 Ca -0.05 -0.02 0.08 0.00 -0.50 0.00 0.00 59.36 58.86 1dmo h GLU 104 Cb 0.38 -0.08 -0.09 0.00 -0.84 0.00 0.00 28.75 28.12 1dmo h GLU 104 CO 0.08 0.25 -0.34 1.25 -1.40 0.00 0.00 179.01 178.85 1dmo h LEU 105 N 0.38 -1.11 -1.99 1.33 6.46 -1.20 1.33 115.31 120.50 1dmo h LEU 105 Ca 0.43 0.19 0.32 0.00 -0.12 0.00 0.00 57.88 58.70 1dmo h LEU 105 Cb 0.71 0.52 -0.04 0.00 -0.73 0.00 0.00 40.66 41.11 1dmo h LEU 105 CO -0.45 -0.33 0.79 -0.09 -0.62 0.00 0.00 178.44 177.74 1dmo h ARG 106 N -0.27 0.01 0.03 1.25 2.43 0.02 1.27 114.38 119.12 1dmo h ARG 106 Ca 0.16 -0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 59.10 1dmo h ARG 106 Cb 0.54 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1dmo h ARG 106 CO -0.53 0.00 -1.00 1.25 -1.51 0.00 0.00 179.97 178.19 1dmo h HIS 107 N 0.01 0.56 -0.59 2.20 2.76 0.19 -3.15 115.15 117.13 1dmo h HIS 107 Ca 0.52 -0.33 0.02 0.00 -2.20 0.00 0.00 60.37 58.38 1dmo h HIS 107 Cb 2.08 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 30.95 1dmo h HIS 107 CO -0.00 1.16 0.39 0.28 -1.30 0.00 0.00 177.93 178.46 1dmo h VAL 108 N 0.19 1.12 -0.36 5.26 2.07 0.47 -0.18 116.25 124.81 1dmo h VAL 108 Ca -0.09 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1dmo h VAL 108 Cb 1.65 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1dmo h VAL 108 CO 0.17 0.14 0.23 0.24 0.02 0.00 0.00 177.57 178.37 1dmo h MET 109 N 0.75 0.48 -0.44 1.57 2.07 -1.28 -1.28 114.93 116.81 1dmo h MET 109 Ca 0.22 -0.03 -0.14 0.00 -2.07 0.00 0.00 59.70 57.69 1dmo h MET 109 Cb -0.02 -0.11 -0.01 0.00 -1.87 0.00 0.00 31.60 29.60 1dmo h MET 109 CO -0.05 0.33 -0.26 1.15 1.07 0.00 0.00 176.91 179.14 1dmo h THR 110 N 0.49 1.27 -0.34 2.22 2.02 -1.10 0.79 112.91 118.26 1dmo h THR 110 Ca 0.13 -1.42 0.02 0.00 0.77 0.00 0.00 66.41 65.91 1dmo h THR 110 Cb -0.04 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1dmo h THR 110 CO -0.03 0.48 0.19 -1.13 0.37 0.00 0.00 175.52 175.41 1dmo h ASN 111 N 0.80 0.30 0.00 4.18 -0.00 -0.93 -3.28 115.58 116.65 1dmo h ASN 111 Ca 0.09 0.01 0.00 0.00 -0.00 0.00 0.00 56.30 56.40 1dmo h ASN 111 Cb 0.83 -0.06 0.00 0.00 -0.00 0.00 0.00 38.32 39.10 1dmo h ASN 111 CO 0.07 0.22 -0.01 -0.07 -0.00 0.00 0.00 177.43 177.64 1dmo h LEU 112 N 0.39 0.00 0.00 0.34 3.38 -1.32 -3.46 115.31 114.64 1dmo h LEU 112 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1dmo h LEU 112 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1dmo h LEU 112 CO -0.07 0.46 0.00 0.61 0.09 0.00 0.00 178.44 179.53 1dmo n GLY 113 N 1.80 0.81 5.89 0.83 0.00 0.27 -4.78 105.19 110.00 1dmo n GLY 113 Ca -0.00 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 0.00 0.00 -2.80 1.61 1.02 -1.26 0.10 120.64 119.31 1dmo n GLU 114 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 1dmo n GLU 114 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.45 1dmo n GLU 114 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1dmo n LYS 115 N 0.00 1.10 -3.57 3.49 5.02 -1.26 -5.03 118.16 117.91 1dmo n LYS 115 Ca 0.00 -3.00 -0.29 0.00 -2.02 0.00 0.00 58.31 52.99 1dmo n LYS 115 Cb 0.00 -1.17 -0.13 0.00 -0.02 0.00 0.00 35.03 33.71 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 -2.91 1.55 0.00 -0.35 1.43 0.11 -5.12 118.68 113.39 1dmo s LEU 116 Ca 0.29 -2.14 -0.22 0.00 -1.03 0.00 0.00 54.13 51.03 1dmo s LEU 116 Cb 0.42 -0.62 0.34 0.00 0.03 0.00 0.00 46.19 46.36 1dmo s LEU 116 CO -0.01 -0.32 0.78 0.35 0.23 0.00 0.00 176.35 177.37 1dmo n THR 117 N 4.13 0.00 0.08 5.49 -2.24 -1.26 -4.82 114.28 115.67 1dmo n THR 117 Ca 0.07 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.68 1dmo n THR 117 Cb 0.37 -0.88 -0.14 0.00 -2.10 0.00 0.00 70.33 67.58 1dmo n THR 117 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1dmo h ASP 118 N -3.49 0.44 -0.49 3.42 3.58 -2.00 -3.09 116.42 114.79 1dmo h ASP 118 Ca -0.35 -0.56 -0.12 0.00 0.42 0.00 0.00 57.03 56.41 1dmo h ASP 118 Cb 1.19 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.09 1dmo h ASP 118 CO 0.21 1.46 -0.18 -0.33 -2.88 0.00 0.00 179.24 177.52 1dmo h GLU 119 N 0.08 1.00 -0.58 0.28 5.08 -2.00 -2.11 114.58 116.33 1dmo h GLU 119 Ca -0.22 -0.40 -0.10 0.00 -1.00 0.00 0.00 59.36 57.64 1dmo h GLU 119 Cb 2.02 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 31.20 1dmo h GLU 119 CO 0.18 1.08 -0.03 0.93 -1.00 0.00 0.00 179.01 180.17 1dmo h GLU 120 N 0.87 1.04 -0.29 2.33 4.39 -1.93 -1.82 114.58 119.18 1dmo h GLU 120 Ca 0.12 -0.34 -0.08 0.00 0.34 0.00 0.00 59.36 59.40 1dmo h GLU 120 Cb 0.75 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 1dmo h GLU 120 CO 0.06 1.04 -0.17 0.28 -1.16 0.00 0.00 179.01 179.06 1dmo h VAL 121 N 0.95 1.24 -0.06 3.13 2.07 -1.44 -2.04 116.25 120.10 1dmo h VAL 121 Ca 0.16 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 1dmo h VAL 121 Cb 0.59 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1dmo h VAL 121 CO 0.04 0.36 -0.06 0.44 0.02 0.00 0.00 177.57 178.37 1dmo h ASP 122 N 0.46 0.16 -0.17 0.57 5.19 -1.09 0.94 116.42 122.48 1dmo h ASP 122 Ca 0.08 -0.47 0.01 0.00 -0.62 0.00 0.00 57.03 56.03 1dmo h ASP 122 Cb 0.56 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.02 1dmo h ASP 122 CO 0.04 0.60 0.11 -0.08 -3.12 0.00 0.00 179.24 176.79 1dmo h GLU 123 N -0.27 0.18 0.03 3.56 4.57 -1.23 0.04 114.58 121.45 1dmo h GLU 123 Ca 0.01 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 1dmo h GLU 123 Cb 0.55 -0.04 0.01 0.00 -0.16 0.00 0.00 28.75 29.11 1dmo h GLU 123 CO 0.01 0.12 -0.23 1.98 -1.18 0.00 0.00 179.01 179.71 1dmo h MET 124 N 0.18 0.09 -0.98 1.92 4.05 -1.22 -3.24 114.93 115.73 1dmo h MET 124 Ca 0.07 -0.15 0.04 0.00 -0.28 0.00 0.00 59.70 59.39 1dmo h MET 124 Cb 0.05 0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 30.84 1dmo h MET 124 CO -0.01 1.04 0.64 0.82 0.23 0.00 0.00 176.91 179.62 1dmo h ILE 125 N -0.77 1.15 0.00 1.77 2.04 -0.49 0.56 117.51 121.76 1dmo h ILE 125 Ca -0.04 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 1dmo h ILE 125 Cb 1.14 -0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1dmo h ILE 125 CO 0.04 0.22 -0.02 0.03 0.00 0.00 0.00 178.15 178.42 1dmo h ARG 126 N 1.22 0.00 -0.27 2.37 3.08 -1.09 -1.41 114.38 118.27 1dmo h ARG 126 Ca 0.40 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.39 1dmo h ARG 126 Cb 0.05 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.06 1dmo h ARG 126 CO -0.14 0.02 -0.01 0.39 -1.07 0.00 0.00 179.97 179.16 1dmo n GLU 127 N -3.52 2.46 -0.38 0.04 -0.58 0.09 -4.71 120.64 114.05 1dmo n GLU 127 Ca -0.03 -2.93 -0.01 0.00 -0.42 0.00 0.00 57.16 53.78 1dmo n GLU 127 Cb 0.12 -1.81 0.00 0.00 -0.57 0.00 0.00 31.44 29.17 1dmo n GLU 127 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1dmo n ALA 128 N -0.78 3.64 -4.13 0.62 0.00 -0.53 -4.77 120.51 114.56 1dmo n ALA 128 Ca 0.25 -0.11 -0.34 0.00 0.00 0.00 0.00 53.44 53.23 1dmo n ALA 128 Cb 0.93 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.31 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 1.13 -1.21 -2.79 0.00 5.15 -1.26 -4.62 115.26 111.66 1dmo n ASN 129 Ca 0.02 -1.21 0.00 0.00 -0.60 0.00 0.00 54.58 52.79 1dmo n ASN 129 Cb 0.52 -2.06 0.00 0.00 -0.53 0.00 0.00 39.78 37.71 1dmo n ASN 129 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1dmo n ILE 130 N -4.65 0.00 -0.06 -1.44 5.41 -1.26 -4.07 119.36 113.29 1dmo n ILE 130 Ca -0.25 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.50 1dmo n ILE 130 Cb 0.65 -1.37 0.00 0.00 -0.71 0.00 0.00 39.64 38.21 1dmo n ILE 130 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1dmo n ASP 131 N -1.58 0.00 0.19 4.38 2.03 -1.26 -4.76 116.55 115.56 1dmo n ASP 131 Ca 0.00 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.37 1dmo n ASP 131 Cb 0.00 -0.65 0.38 0.00 -0.72 0.00 0.00 41.12 40.13 1dmo n ASP 131 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1dmo h GLY 132 N 0.00 0.00 -0.82 0.27 0.00 -1.88 -3.39 103.07 97.25 1dmo h GLY 132 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1dmo h GLY 132 CO 0.00 0.00 -0.05 1.34 0.00 0.00 0.00 176.54 177.83 1dmo n ASP 133 N -3.63 -0.17 -0.85 0.19 2.03 -1.26 -4.95 116.55 107.91 1dmo n ASP 133 Ca -0.01 -0.53 -0.11 0.00 0.52 0.00 0.00 54.79 54.66 1dmo n ASP 133 Cb 0.47 0.05 -0.05 0.00 -0.72 0.00 0.00 41.12 40.87 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 0.00 1.19 0.00 0.27 0.00 -1.26 -4.92 105.19 100.48 1dmo n GLY 134 Ca -0.05 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1dmo n GLY 134 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1dmo n GLN 135 N -2.15 0.66 -3.80 1.61 6.02 -1.26 -4.68 117.38 113.79 1dmo n GLN 135 Ca -0.11 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.75 1dmo n GLN 135 Cb 0.43 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.57 1dmo n GLN 135 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1dmo s VAL 136 N 1.04 -0.01 -1.05 5.09 1.01 0.62 -4.60 120.40 122.50 1dmo s VAL 136 Ca 0.00 0.03 -0.23 0.00 0.00 0.00 0.00 61.98 61.77 1dmo s VAL 136 Cb 0.00 -0.26 -0.13 0.00 0.00 0.00 0.00 36.38 35.98 1dmo s VAL 136 CO 0.00 0.01 1.94 0.59 0.00 0.00 0.00 175.10 177.64 1dmo n ASN 137 N 3.19 2.68 -0.29 3.32 4.13 -1.26 -1.37 115.26 125.65 1dmo n ASN 137 Ca -0.15 -2.66 0.34 0.00 1.68 0.00 0.00 54.58 53.79 1dmo n ASN 137 Cb 0.58 -1.57 0.60 0.00 -1.54 0.00 0.00 39.78 37.84 1dmo n ASN 137 CO 0.00 0.00 0.00 0.10 0.28 0.00 0.00 177.26 177.64 1dmo h TYR 138 N 9.62 0.00 0.02 3.10 -0.00 -1.88 0.83 116.97 128.67 1dmo h TYR 138 Ca 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.96 1dmo h TYR 138 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.62 1dmo h TYR 138 CO 1.18 0.00 -0.01 0.93 -0.00 0.00 0.00 178.16 180.26 1dmo h GLU 139 N 0.00 -0.03 -0.87 0.10 5.08 -1.84 -2.10 114.58 114.93 1dmo h GLU 139 Ca 0.56 0.00 0.25 0.00 -1.00 0.00 0.00 59.36 59.17 1dmo h GLU 139 Cb 2.80 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 32.02 1dmo h GLU 139 CO -0.01 -0.02 0.67 1.05 -1.00 0.00 0.00 179.01 179.71 1dmo h GLU 140 N -0.06 0.00 -0.32 2.33 4.11 -1.62 0.96 114.58 119.98 1dmo h GLU 140 Ca -0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.33 1dmo h GLU 140 Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1dmo h GLU 140 CO 0.00 0.00 -0.22 0.35 0.07 0.00 0.00 179.01 179.21 1dmo h PHE 141 N 0.00 0.67 0.00 2.06 3.57 -0.91 0.66 116.94 122.99 1dmo h PHE 141 Ca 0.41 -0.14 -0.07 0.00 3.53 0.00 0.00 57.97 61.70 1dmo h PHE 141 Cb 1.74 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 40.31 1dmo h PHE 141 CO 0.00 0.77 -0.33 0.28 -2.23 0.00 0.00 178.31 176.81 1dmo h VAL 142 N 0.53 0.68 0.00 1.41 2.07 0.17 -1.51 116.25 119.60 1dmo h VAL 142 Ca 0.08 -1.53 -0.17 0.00 0.82 0.00 0.00 66.70 65.90 1dmo h VAL 142 Cb 0.67 2.01 -0.03 0.00 -1.52 0.00 0.00 31.29 32.42 1dmo h VAL 142 CO 0.05 0.32 -1.37 1.56 0.02 0.00 0.00 177.57 178.15 1dmo h GLN 143 N 0.00 0.00 0.08 1.57 1.08 -0.90 -3.37 115.11 113.57 1dmo h GLN 143 Ca -0.00 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.90 1dmo h GLN 143 Cb 0.99 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.40 1dmo h GLN 143 CO 0.04 0.32 -1.54 1.98 -0.95 0.00 0.00 178.83 178.68 1dmo h MET 144 N 0.00 0.17 0.00 1.46 4.05 -0.83 -3.27 114.93 116.51 1dmo h MET 144 Ca -0.16 -0.29 0.00 0.00 -0.28 0.00 0.00 59.70 58.97 1dmo h MET 144 Cb 1.60 0.11 0.00 0.00 -0.80 0.00 0.00 31.60 32.51 1dmo h MET 144 CO 0.05 0.98 0.00 -1.33 0.23 0.00 0.00 176.91 176.84 1dmo n MET 145 N -3.36 0.03 0.11 0.39 2.81 -0.57 -0.99 117.12 115.55 1dmo n MET 145 Ca -0.16 0.32 0.13 0.00 -1.81 0.00 0.00 57.70 56.18 1dmo n MET 145 Cb 1.03 -1.50 0.39 0.00 -0.71 0.00 0.00 33.22 32.44 1dmo n MET 145 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1dmo h THR 146 N 0.00 0.00 -4.20 2.03 1.35 -1.72 -3.46 112.91 106.91 1dmo h THR 146 Ca 0.00 -0.50 -0.53 0.00 -0.55 0.00 0.00 66.41 64.83 1dmo h THR 146 Cb 0.04 1.50 0.15 0.00 -1.73 0.00 0.00 68.15 68.11 1dmo h THR 146 CO 0.00 0.00 0.36 0.00 -0.25 0.00 0.00 175.52 175.63 1dmo s ALA 147 N -3.11 2.09 -1.11 6.62 0.00 -0.16 -5.17 121.76 120.92 1dmo s ALA 147 Ca 0.10 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.81 1dmo s ALA 147 Cb 0.12 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1dmo s ALA 147 CO 0.60 -1.90 0.28 1.17 0.00 0.00 0.00 175.76 175.91