#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 -2.44 -4.66 0.00 2.03 -1.26 -5.00 116.55 105.22 1dmo n ASP 2 Ca 0.00 -0.04 -0.23 0.00 0.52 0.00 0.00 54.79 55.04 1dmo n ASP 2 Cb 0.00 -0.96 -0.07 0.00 -0.72 0.00 0.00 41.12 39.37 1dmo n ASP 2 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1dmo s GLN 3 N -3.35 2.27 -0.90 -0.67 -1.52 -1.26 -4.78 119.66 109.46 1dmo s GLN 3 Ca 0.54 -1.50 -0.07 0.00 -1.95 0.00 0.00 55.36 52.39 1dmo s GLN 3 Cb -0.12 -2.12 0.01 0.00 -0.22 0.00 0.00 33.01 30.56 1dmo s GLN 3 CO 0.67 0.27 0.63 1.28 -0.25 0.00 0.00 175.29 177.89 1dmo n LEU 4 N -0.96 -2.04 -4.92 2.90 4.77 -1.26 -4.81 117.00 110.69 1dmo n LEU 4 Ca -0.05 -0.96 -0.20 0.00 -0.03 0.00 0.00 56.01 54.77 1dmo n LEU 4 Cb 0.60 -1.79 -0.02 0.00 -2.33 0.00 0.00 43.42 39.88 1dmo n LEU 4 CO 0.41 0.34 0.02 -0.89 -1.33 0.00 0.00 177.39 175.95 1dmo s THR 5 N -3.10 3.12 0.41 -5.08 2.01 -1.26 -4.89 115.64 106.85 1dmo s THR 5 Ca 0.10 -1.23 0.24 0.00 0.31 0.00 0.00 61.69 61.12 1dmo s THR 5 Cb -0.05 -3.09 0.43 0.00 0.01 0.00 0.00 72.50 69.80 1dmo s THR 5 CO 0.90 -0.06 1.66 -0.33 -0.69 0.00 0.00 174.62 176.10 1dmo h GLU 6 N 0.97 0.19 -0.19 4.92 4.39 -1.99 1.14 114.58 124.01 1dmo h GLU 6 Ca -0.42 -0.01 -0.19 0.00 0.34 0.00 0.00 59.36 59.07 1dmo h GLU 6 Cb 1.27 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1dmo h GLU 6 CO 0.54 0.12 -0.65 1.05 -1.16 0.00 0.00 179.01 178.91 1dmo h GLU 7 N 0.19 0.70 -0.48 2.33 4.11 -1.99 -1.82 114.58 117.62 1dmo h GLU 7 Ca 0.75 -0.50 -0.00 0.00 0.07 0.00 0.00 59.36 59.68 1dmo h GLU 7 Cb 2.16 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 31.47 1dmo h GLU 7 CO -0.43 1.12 0.29 0.37 0.07 0.00 0.00 179.01 180.43 1dmo h GLN 8 N 0.51 0.64 -0.00 1.06 5.75 0.92 -0.22 115.11 123.77 1dmo h GLN 8 Ca -0.02 -0.05 -0.15 0.00 -0.15 0.00 0.00 58.65 58.28 1dmo h GLN 8 Cb 1.25 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.64 1dmo h GLN 8 CO 0.13 0.45 -0.73 0.82 -2.65 0.00 0.00 178.83 176.85 1dmo h ILE 9 N 0.65 1.52 -0.44 2.39 5.03 -0.91 -2.43 117.51 123.33 1dmo h ILE 9 Ca 0.17 -2.48 -0.05 0.00 -0.12 0.00 0.00 64.86 62.38 1dmo h ILE 9 Cb -0.03 2.34 -0.02 0.00 -3.03 0.00 0.00 36.82 36.08 1dmo h ILE 9 CO -0.03 0.71 0.07 0.00 -0.68 0.00 0.00 178.15 178.22 1dmo h ALA 10 N 1.27 0.58 -0.35 1.87 0.00 -0.20 -0.35 119.26 122.09 1dmo h ALA 10 Ca -0.01 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1dmo h ALA 10 Cb 1.28 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1dmo h ALA 10 CO 0.09 0.30 -0.19 1.49 0.00 0.00 0.00 179.25 180.94 1dmo h GLU 11 N 0.59 0.67 0.07 0.00 4.81 -1.30 -1.05 114.58 118.37 1dmo h GLU 11 Ca 0.13 -0.24 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1dmo h GLU 11 Cb 0.37 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1dmo h GLU 11 CO 0.01 0.82 -0.04 0.74 -0.73 0.00 0.00 179.01 179.81 1dmo h PHE 12 N 0.59 -0.09 -0.46 0.92 -1.00 -1.06 -1.93 116.94 113.91 1dmo h PHE 12 Ca 0.09 -0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.86 1dmo h PHE 12 Cb 0.66 0.03 -0.02 0.00 3.61 0.00 0.00 35.95 40.23 1dmo h PHE 12 CO 0.03 0.00 0.27 -0.22 -1.61 0.00 0.00 178.31 176.78 1dmo h LYS 13 N -0.16 0.62 -0.37 1.51 3.64 -0.89 -1.21 116.57 119.70 1dmo h LYS 13 Ca -0.01 -0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.40 1dmo h LYS 13 Cb 0.13 -0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 31.75 1dmo h LYS 13 CO 0.02 0.44 -0.13 1.49 -2.27 0.00 0.00 179.45 179.00 1dmo h GLU 14 N 0.63 -0.05 0.36 1.90 4.81 -0.42 0.89 114.58 122.71 1dmo h GLU 14 Ca 0.17 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 1dmo h GLU 14 Cb -0.01 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1dmo h GLU 14 CO -0.03 -0.03 -0.17 0.00 -0.73 0.00 0.00 179.01 178.04 1dmo h ALA 15 N 1.28 -0.48 -0.67 2.92 0.00 -0.91 0.02 119.26 121.41 1dmo h ALA 15 Ca 0.18 -0.14 0.20 0.00 0.00 0.00 0.00 54.91 55.14 1dmo h ALA 15 Cb 0.33 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1dmo h ALA 15 CO -0.41 -0.71 0.59 0.35 0.00 0.00 0.00 179.25 179.07 1dmo h PHE 16 N -0.61 0.00 0.04 0.00 3.57 -0.30 0.34 116.94 119.98 1dmo h PHE 16 Ca -0.05 0.00 -0.27 0.00 3.53 0.00 0.00 57.97 61.18 1dmo h PHE 16 Cb 0.45 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 1dmo h PHE 16 CO -0.02 0.00 -1.39 0.66 -2.23 0.00 0.00 178.31 175.33 1dmo h SER 17 N 0.00 0.12 0.28 0.41 4.64 0.16 -3.04 113.55 116.12 1dmo h SER 17 Ca 0.32 -0.17 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 1dmo h SER 17 Cb 1.50 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.55 1dmo h SER 17 CO -0.00 1.15 -0.09 -0.07 -0.87 0.00 0.00 176.83 176.95 1dmo h LEU 18 N 0.02 0.00 -3.03 5.97 3.38 0.16 -2.63 115.31 119.18 1dmo h LEU 18 Ca -0.17 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1dmo h LEU 18 Cb 1.92 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.67 1dmo h LEU 18 CO 0.12 0.09 -0.42 0.49 0.09 0.00 0.00 178.44 178.81 1dmo n PHE 19 N -3.66 0.08 -0.90 1.13 3.72 -1.00 -5.05 117.46 111.79 1dmo n PHE 19 Ca -0.02 -1.45 -0.04 0.00 -0.05 0.00 0.00 57.45 55.89 1dmo n PHE 19 Cb 0.20 -0.26 0.03 0.00 -0.94 0.00 0.00 39.48 38.51 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 -1.15 -0.47 0.00 4.37 2.03 -0.99 -4.73 116.55 115.60 1dmo n ASP 20 Ca 0.20 -0.87 0.00 0.00 0.52 0.00 0.00 54.79 54.64 1dmo n ASP 20 Cb 0.71 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 1dmo n ASP 20 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1dmo n LYS 21 N -1.64 0.00 0.00 -0.67 5.02 -1.26 -5.02 118.16 114.60 1dmo n LYS 21 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1dmo n LYS 21 Cb 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.09 1dmo n LYS 21 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1dmo n ASP 22 N 0.00 0.00 0.00 4.39 2.03 -1.26 -4.96 116.55 116.74 1dmo n ASP 22 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1dmo n ASP 22 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1dmo n ASP 22 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1dmo n GLY 23 N -0.08 -3.17 2.69 0.27 0.00 -1.26 -4.51 105.19 99.13 1dmo n GLY 23 Ca 0.00 0.52 -0.03 0.00 0.00 0.00 0.00 46.02 46.51 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 -2.19 -1.36 -2.81 1.61 8.00 -1.26 -5.00 116.55 113.54 1dmo n ASP 24 Ca 0.00 -2.28 -0.11 0.00 0.71 0.00 0.00 54.79 53.11 1dmo n ASP 24 Cb 0.00 0.69 0.05 0.00 -0.02 0.00 0.00 41.12 41.84 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 -1.23 -0.64 3.54 0.44 0.00 -1.26 -4.98 105.19 101.05 1dmo n GLY 25 Ca -0.12 0.37 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 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 -3.29 0.00 0.30 2.61 -4.23 -1.26 -4.09 115.64 105.68 1dmo s THR 26 Ca 0.34 -1.44 0.06 0.00 -1.18 0.00 0.00 61.69 59.48 1dmo s THR 26 Cb -0.04 -2.19 -0.06 0.00 1.34 0.00 0.00 72.50 71.55 1dmo s THR 26 CO 0.55 -0.02 -0.03 0.27 -0.54 0.00 0.00 174.62 174.85 1dmo s ILE 27 N -4.02 1.59 -0.01 2.99 -4.36 -0.18 -4.11 121.20 113.09 1dmo s ILE 27 Ca 0.23 -2.09 -0.00 0.00 -0.26 0.00 0.00 60.65 58.52 1dmo s ILE 27 Cb 0.00 -2.56 -0.04 0.00 1.25 0.00 0.00 42.46 41.11 1dmo s ILE 27 CO 0.08 -0.22 0.06 0.42 0.24 0.00 0.00 174.94 175.53 1dmo s THR 28 N -3.04 4.61 0.40 8.37 -4.23 -1.26 -0.21 115.64 120.29 1dmo s THR 28 Ca 0.31 -0.41 0.34 0.00 -1.18 0.00 0.00 61.69 60.76 1dmo s THR 28 Cb 0.05 -3.08 0.51 0.00 1.34 0.00 0.00 72.50 71.32 1dmo s THR 28 CO 0.13 0.39 1.19 0.35 -0.54 0.00 0.00 174.62 176.14 1dmo n THR 29 N 1.33 -0.06 -0.06 3.99 -2.24 -1.26 0.17 114.28 116.15 1dmo n THR 29 Ca -0.14 1.20 -0.12 0.00 -2.27 0.00 0.00 64.05 62.72 1dmo n THR 29 Cb 0.53 -2.00 -0.06 0.00 -2.10 0.00 0.00 70.33 66.70 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 0.36 0.00 -0.78 2.10 -1.94 -2.63 116.57 113.68 1dmo h LYS 30 Ca 0.70 -0.14 0.00 0.00 -2.00 0.00 0.00 60.65 59.21 1dmo h LYS 30 Cb 2.67 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 33.98 1dmo h LYS 30 CO -0.11 0.63 0.00 0.39 -2.00 0.00 0.00 179.45 178.36 1dmo n GLU 31 N -4.64 0.07 0.19 0.07 -0.58 0.44 -3.79 120.64 112.41 1dmo n GLU 31 Ca -0.05 0.11 -0.12 0.00 -0.42 0.00 0.00 57.16 56.68 1dmo n GLU 31 Cb 0.28 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.58 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 -0.96 -1.29 -4.62 5.85 -0.95 -1.41 115.31 111.93 1dmo h LEU 32 Ca 0.00 0.08 0.41 0.00 0.84 0.00 0.00 57.88 59.21 1dmo h LEU 32 Cb 0.34 0.32 -0.14 0.00 0.37 0.00 0.00 40.66 41.55 1dmo h LEU 32 CO 0.00 -0.45 0.76 1.23 -0.34 0.00 0.00 178.44 179.64 1dmo h GLY 33 N -0.68 1.55 0.77 3.75 0.00 -1.70 0.54 103.07 107.30 1dmo h GLY 33 Ca -0.04 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 1dmo h GLY 33 CO -0.05 -0.46 -0.12 -0.84 0.00 0.00 0.00 176.54 175.07 1dmo h THR 34 N 0.12 1.33 -0.39 4.70 2.02 -1.57 -2.27 112.91 116.84 1dmo h THR 34 Ca 0.80 -1.22 -0.00 0.00 0.77 0.00 0.00 66.41 66.75 1dmo h THR 34 Cb 2.35 1.76 -0.02 0.00 -1.74 0.00 0.00 68.15 70.50 1dmo h THR 34 CO -0.49 0.36 0.23 0.58 0.37 0.00 0.00 175.52 176.57 1dmo h VAL 35 N 0.05 1.14 -1.00 3.16 2.07 0.10 -2.13 116.25 119.63 1dmo h VAL 35 Ca 0.03 -0.33 0.07 0.00 0.82 0.00 0.00 66.70 67.29 1dmo h VAL 35 Cb 0.63 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 30.97 1dmo h VAL 35 CO 0.03 0.14 0.65 0.24 0.02 0.00 0.00 177.57 178.65 1dmo h MET 36 N 0.51 1.14 0.00 1.57 2.86 -1.07 0.21 114.93 120.15 1dmo h MET 36 Ca 0.14 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.66 1dmo h MET 36 Cb 0.02 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.42 1dmo h MET 36 CO -0.02 0.75 -0.23 -0.09 1.06 0.00 0.00 176.91 178.38 1dmo h ARG 37 N 1.17 0.00 0.11 1.72 2.43 -0.88 -3.06 114.38 115.87 1dmo h ARG 37 Ca 0.44 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.60 1dmo h ARG 37 Cb 0.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1dmo h ARG 37 CO -0.18 0.23 -0.05 1.03 -1.51 0.00 0.00 179.97 179.49 1dmo h SER 38 N 0.00 -0.12 -0.80 -3.80 0.87 -0.34 -3.22 113.55 106.13 1dmo h SER 38 Ca -0.00 -0.41 0.19 0.00 -1.23 0.00 0.00 61.79 60.34 1dmo h SER 38 Cb 0.48 0.03 -0.14 0.00 -0.44 0.00 0.00 62.40 62.33 1dmo h SER 38 CO 0.03 0.38 0.04 -0.07 -0.53 0.00 0.00 176.83 176.68 1dmo h LEU 39 N -0.68 -0.31 0.00 2.23 4.07 -1.34 -3.44 115.31 115.83 1dmo h LEU 39 Ca -0.02 0.21 0.00 0.00 0.08 0.00 0.00 57.88 58.15 1dmo h LEU 39 Cb 0.52 0.35 0.00 0.00 1.08 0.00 0.00 40.66 42.61 1dmo h LEU 39 CO 0.02 -0.19 0.00 0.61 -1.08 0.00 0.00 178.44 177.80 1dmo n GLY 40 N -1.42 0.55 3.86 0.83 0.00 -1.20 -5.10 105.19 102.70 1dmo n GLY 40 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 3.93 -0.67 1.61 1.11 -1.19 -5.00 119.66 119.46 1dmo s GLN 41 Ca 0.00 0.58 0.05 0.00 0.01 0.00 0.00 55.36 56.00 1dmo s GLN 41 Cb 0.00 -2.45 0.17 0.00 -1.01 0.00 0.00 33.01 29.72 1dmo s GLN 41 CO 0.00 0.14 0.47 1.21 0.01 0.00 0.00 175.29 177.12 1dmo s ASN 42 N -2.46 4.48 0.95 5.90 3.84 -1.26 -3.53 114.94 122.86 1dmo s ASN 42 Ca 0.53 -3.73 -0.11 0.00 0.21 0.00 0.00 52.86 49.76 1dmo s ASN 42 Cb -0.10 -1.52 0.16 0.00 -0.55 0.00 0.00 41.25 39.24 1dmo s ASN 42 CO 0.20 -0.10 1.09 -2.16 -2.79 0.00 0.00 177.10 173.35 1dmo s PRO 43 N -1.24 0.79 0.17 0.43 0.05 -1.26 -5.04 135.00 128.89 1dmo s PRO 43 Ca 0.25 1.06 0.05 0.00 0.05 0.00 0.00 61.00 62.41 1dmo s PRO 43 Cb -0.05 -1.74 -0.04 0.00 0.05 0.00 0.00 34.50 32.73 1dmo s PRO 43 CO -0.16 -2.64 0.17 0.99 0.05 0.00 0.00 177.00 175.41 1dmo s THR 44 N -2.74 4.63 0.60 1.26 2.01 -1.26 -4.92 115.64 115.22 1dmo s THR 44 Ca 0.65 -1.04 0.28 0.00 0.31 0.00 0.00 61.69 61.90 1dmo s THR 44 Cb -0.21 -3.38 0.37 0.00 0.01 0.00 0.00 72.50 69.29 1dmo s THR 44 CO 0.59 -0.12 1.80 -0.33 -0.69 0.00 0.00 174.62 175.86 1dmo h GLU 45 N 2.29 0.00 0.00 4.92 5.08 -1.98 0.22 114.58 125.11 1dmo h GLU 45 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1dmo h GLU 45 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1dmo h GLU 45 CO 0.64 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.65 1dmo n ALA 46 N -2.26 -0.05 -0.25 3.43 0.00 -1.26 -2.39 120.51 117.73 1dmo n ALA 46 Ca 0.09 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.58 1dmo n ALA 46 Cb 0.76 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.37 1dmo n ALA 46 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1dmo h GLU 47 N 0.00 0.14 -0.59 0.00 4.81 -1.88 0.58 114.58 117.64 1dmo h GLU 47 Ca 0.00 -0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.34 1dmo h GLU 47 Cb 0.00 -0.03 -0.11 0.00 0.63 0.00 0.00 28.75 29.23 1dmo h GLU 47 CO 0.00 0.09 -0.16 1.25 -0.73 0.00 0.00 179.01 179.47 1dmo h LEU 48 N 0.15 -0.57 -1.19 1.64 5.85 -0.71 0.55 115.31 121.03 1dmo h LEU 48 Ca 0.40 0.18 -0.08 0.00 0.84 0.00 0.00 57.88 59.22 1dmo h LEU 48 Cb 0.71 0.38 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1dmo h LEU 48 CO -0.60 -0.20 -0.33 -0.61 -0.34 0.00 0.00 178.44 176.36 1dmo h GLN 49 N -0.01 0.13 0.00 1.25 4.15 0.31 -2.06 115.11 118.89 1dmo h GLN 49 Ca 0.28 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.65 1dmo h GLN 49 Cb 0.44 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.12 1dmo h GLN 49 CO -0.61 0.45 -0.03 0.22 -1.93 0.00 0.00 178.83 176.93 1dmo h ASP 50 N 0.12 0.00 0.15 -0.69 3.58 0.38 -2.58 116.42 117.37 1dmo h ASP 50 Ca 0.02 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.11 1dmo h ASP 50 Cb 0.64 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 1dmo h ASP 50 CO 0.05 0.03 -1.90 0.24 -2.88 0.00 0.00 179.24 174.77 1dmo h MET 51 N 0.00 0.31 -0.37 0.28 2.86 -0.52 -3.37 114.93 114.12 1dmo h MET 51 Ca -0.00 -0.53 0.06 0.00 -2.06 0.00 0.00 59.70 57.17 1dmo h MET 51 Cb 0.23 0.20 -0.05 0.00 0.06 0.00 0.00 31.60 32.04 1dmo h MET 51 CO 0.00 1.25 0.07 0.82 1.06 0.00 0.00 176.91 180.12 1dmo h ILE 52 N 0.07 0.81 -0.35 -1.22 5.03 -1.13 0.68 117.51 121.40 1dmo h ILE 52 Ca -0.40 -0.07 0.10 0.00 -0.12 0.00 0.00 64.86 64.38 1dmo h ILE 52 Cb 2.05 0.60 -0.01 0.00 -3.03 0.00 0.00 36.82 36.42 1dmo h ILE 52 CO 0.12 0.03 0.50 -1.13 -0.68 0.00 0.00 178.15 176.99 1dmo h ASN 53 N 0.19 0.00 0.00 1.72 -1.24 -1.64 -1.75 115.58 112.86 1dmo h ASN 53 Ca 0.18 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.19 1dmo h ASN 53 Cb 0.21 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.26 1dmo h ASN 53 CO -0.24 0.00 -0.30 -0.62 -1.29 0.00 0.00 177.43 174.98 1dmo n GLU 54 N -3.42 0.26 0.00 6.67 -0.58 0.13 -4.09 120.64 119.61 1dmo n GLU 54 Ca 0.06 0.39 0.00 0.00 -0.42 0.00 0.00 57.16 57.19 1dmo n GLU 54 Cb 0.65 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 30.25 1dmo n GLU 54 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1dmo n VAL 55 N -3.59 0.00 -0.40 2.62 0.24 -0.62 -1.68 118.33 114.89 1dmo n VAL 55 Ca -0.04 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.16 1dmo n VAL 55 Cb 0.16 -0.96 0.16 0.00 -1.47 0.00 0.00 33.84 31.72 1dmo n VAL 55 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1dmo n ASP 56 N -0.82 3.67 0.06 -1.34 5.68 -0.67 -4.04 116.55 119.09 1dmo n ASP 56 Ca 0.00 -2.93 0.11 0.00 -0.50 0.00 0.00 54.79 51.47 1dmo n ASP 56 Cb 0.00 -0.70 -0.06 0.00 -1.14 0.00 0.00 41.12 39.23 1dmo n ASP 56 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1dmo n ALA 57 N -0.30 2.70 0.31 2.12 0.00 -0.68 -4.00 120.51 120.65 1dmo n ALA 57 Ca 0.33 -0.35 0.19 0.00 0.00 0.00 0.00 53.44 53.62 1dmo n ALA 57 Cb 1.16 -0.97 0.94 0.00 0.00 0.00 0.00 19.45 20.58 1dmo n ALA 57 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1dmo h ASP 58 N 0.00 0.00 0.00 0.00 3.32 -1.85 -3.45 116.42 114.43 1dmo h ASP 58 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1dmo h ASP 58 Cb 0.98 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1dmo h ASP 58 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 1dmo n GLY 59 N -0.62 2.89 0.23 2.75 0.00 -1.26 -4.80 105.19 104.38 1dmo n GLY 59 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 1dmo n GLY 59 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1dmo h ASN 60 N 0.00 0.89 0.00 1.61 -0.26 -1.90 -3.47 115.58 112.45 1dmo h ASN 60 Ca 0.00 -0.51 0.00 0.00 -0.56 0.00 0.00 56.30 55.23 1dmo h ASN 60 Cb 0.00 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.00 1dmo h ASN 60 CO 0.00 1.29 0.00 0.61 -1.06 0.00 0.00 177.43 178.27 1dmo n GLY 61 N 0.45 3.00 3.88 2.83 0.00 -1.26 -5.04 105.19 109.06 1dmo n GLY 61 Ca -0.05 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.01 2.00 -0.10 2.61 -4.23 -1.26 -4.27 115.64 108.38 1dmo s THR 62 Ca 0.00 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.54 1dmo s THR 62 Cb 0.00 -2.95 0.01 0.00 1.34 0.00 0.00 72.50 70.90 1dmo s THR 62 CO 0.00 0.00 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.26 1dmo s ILE 63 N -3.55 1.68 0.44 2.99 1.01 0.71 -4.89 121.20 119.60 1dmo s ILE 63 Ca 0.63 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 60.51 1dmo s ILE 63 Cb -0.11 -1.49 -0.00 0.00 0.01 0.00 0.00 42.46 40.86 1dmo s ILE 63 CO 0.50 0.48 0.65 -0.62 0.00 0.00 0.00 174.94 175.94 1dmo s ASP 64 N 0.63 5.86 0.18 3.58 -1.08 -1.26 -1.01 116.67 123.57 1dmo s ASP 64 Ca -0.14 0.24 -0.14 0.00 -0.52 0.00 0.00 52.55 52.00 1dmo s ASP 64 Cb -0.16 -1.52 0.15 0.00 -1.46 0.00 0.00 42.92 39.93 1dmo s ASP 64 CO 0.04 -0.66 1.73 0.15 0.52 0.00 0.00 175.17 176.95 1dmo h PHE 65 N 0.46 0.22 -0.77 -5.34 3.57 -1.94 0.83 116.94 113.97 1dmo h PHE 65 Ca -0.46 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.12 1dmo h PHE 65 Cb 1.25 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.91 1dmo h PHE 65 CO 0.45 0.05 0.46 -1.00 -2.23 0.00 0.00 178.31 176.05 1dmo h PRO 66 N 0.28 0.83 -0.45 6.41 0.13 -1.94 0.20 132.00 137.45 1dmo h PRO 66 Ca 0.22 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 65.25 1dmo h PRO 66 Cb 0.26 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 31.18 1dmo h PRO 66 CO -0.26 0.55 0.04 0.93 -0.23 0.00 0.00 178.00 179.03 1dmo h GLU 67 N 0.86 0.72 -0.37 0.86 4.39 -1.71 -1.70 114.58 117.63 1dmo h GLU 67 Ca 0.33 -0.17 -0.07 0.00 0.34 0.00 0.00 59.36 59.80 1dmo h GLU 67 Cb 0.15 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1dmo h GLU 67 CO -0.17 0.71 -0.06 0.35 -1.16 0.00 0.00 179.01 178.68 1dmo h PHE 68 N 0.68 0.64 -0.08 4.33 3.04 0.95 -1.47 116.94 125.04 1dmo h PHE 68 Ca 0.14 -0.09 -0.00 0.00 3.98 0.00 0.00 57.97 62.00 1dmo h PHE 68 Cb 0.37 -0.18 -0.00 0.00 2.56 0.00 0.00 35.95 38.69 1dmo h PHE 68 CO 0.02 0.65 0.04 -0.07 -2.02 0.00 0.00 178.31 176.93 1dmo h LEU 69 N 0.57 0.11 0.17 0.59 3.38 -0.14 0.53 115.31 120.52 1dmo h LEU 69 Ca 0.11 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1dmo h LEU 69 Cb 0.45 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1dmo h LEU 69 CO 0.02 0.22 -0.14 0.74 0.09 0.00 0.00 178.44 179.37 1dmo h THR 70 N -0.01 0.69 0.00 0.22 2.02 -1.14 1.56 112.91 116.24 1dmo h THR 70 Ca 0.03 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.13 1dmo h THR 70 Cb 0.14 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1dmo h THR 70 CO -0.00 0.00 -0.35 0.00 0.37 0.00 0.00 175.52 175.54 1dmo h MET 71 N -0.33 0.00 0.00 6.66 -0.00 -1.22 -1.70 114.93 118.34 1dmo h MET 71 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 1dmo h MET 71 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.90 1dmo h MET 71 CO -0.02 0.35 -0.79 -0.12 -0.00 0.00 0.00 176.91 176.33 1dmo n MET 72 N -3.55 0.32 -0.01 -0.10 0.00 0.18 -3.72 117.12 110.24 1dmo n MET 72 Ca -0.00 0.06 -0.15 0.00 0.00 0.00 0.00 57.70 57.61 1dmo n MET 72 Cb 0.49 -1.67 -0.14 0.00 0.00 0.00 0.00 33.22 31.90 1dmo n MET 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1dmo n ALA 73 N -1.86 1.20 0.21 -5.12 0.00 0.53 -3.91 120.51 111.55 1dmo n ALA 73 Ca 0.02 -0.69 0.09 0.00 0.00 0.00 0.00 53.44 52.87 1dmo n ALA 73 Cb 0.45 -0.76 0.38 0.00 0.00 0.00 0.00 19.45 19.52 1dmo n ALA 73 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1dmo h ARG 74 N 0.04 0.00 -0.16 0.00 0.11 -1.46 -1.57 114.38 111.33 1dmo h ARG 74 Ca -0.36 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.58 1dmo h ARG 74 Cb 2.03 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 33.10 1dmo h ARG 74 CO 0.08 0.26 -0.49 0.87 0.10 0.00 0.00 179.97 180.79 1dmo h LYS 75 N 0.00 0.43 0.48 0.08 1.79 -1.70 -3.29 116.57 114.36 1dmo h LYS 75 Ca -0.00 -0.25 -0.02 0.00 -2.18 0.00 0.00 60.65 58.20 1dmo h LYS 75 Cb 0.85 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.52 1dmo h LYS 75 CO 0.03 0.83 -0.23 1.98 -1.08 0.00 0.00 179.45 180.98 1dmo h MET 76 N 0.34 -0.62 0.00 3.15 4.05 -1.63 -3.47 114.93 116.76 1dmo h MET 76 Ca 0.02 0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.48 1dmo h MET 76 Cb 0.99 0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.93 1dmo h MET 76 CO 0.09 -0.41 0.00 1.17 0.23 0.00 0.00 176.91 177.99 1dmo n LYS 77 N -4.76 0.00 -0.22 0.39 4.81 -1.11 -5.13 118.16 112.13 1dmo n LYS 77 Ca -0.08 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.39 1dmo n LYS 77 Cb 0.25 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.29 1dmo n LYS 77 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1dmo n ASP 78 N 0.00 -2.31 -3.66 3.14 2.03 -0.61 -4.89 116.55 110.24 1dmo n ASP 78 Ca 0.00 0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.54 1dmo n ASP 78 Cb 0.00 -0.66 0.00 0.00 -0.72 0.00 0.00 41.12 39.74 1dmo n ASP 78 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1dmo n THR 79 N -1.30 0.00 -0.08 5.18 5.66 -1.26 -4.82 114.28 117.66 1dmo n THR 79 Ca 0.00 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.01 1dmo n THR 79 Cb 0.10 -0.04 0.20 0.00 -1.55 0.00 0.00 70.33 69.05 1dmo n THR 79 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1dmo n ASP 80 N 0.00 3.59 0.00 1.09 -0.08 -1.26 -4.86 116.55 115.04 1dmo n ASP 80 Ca 0.00 -2.58 0.00 0.00 -1.51 0.00 0.00 54.79 50.70 1dmo n ASP 80 Cb 0.00 -0.62 0.00 0.00 2.34 0.00 0.00 41.12 42.84 1dmo n ASP 80 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1dmo n SER 81 N 0.22 0.00 0.29 1.67 3.41 -1.26 -4.62 113.62 113.32 1dmo n SER 81 Ca 0.18 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.95 1dmo n SER 81 Cb 0.84 -1.16 0.92 0.00 -0.26 0.00 0.00 64.21 64.55 1dmo n SER 81 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1dmo h GLU 82 N 0.00 0.00 -0.27 4.33 4.81 -2.00 -0.94 114.58 120.52 1dmo h GLU 82 Ca 0.00 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1dmo h GLU 82 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1dmo h GLU 82 CO 0.00 0.00 -0.19 0.93 -0.73 0.00 0.00 179.01 179.02 1dmo h GLU 83 N 0.00 0.60 -0.25 1.92 4.39 -1.98 -1.76 114.58 117.50 1dmo h GLU 83 Ca 0.01 -0.29 0.01 0.00 0.34 0.00 0.00 59.36 59.43 1dmo h GLU 83 Cb 0.09 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1dmo h GLU 83 CO -0.00 0.88 0.17 0.93 -1.16 0.00 0.00 179.01 179.82 1dmo h GLU 84 N 0.33 0.31 0.45 2.33 5.08 -1.56 -2.32 114.58 119.20 1dmo h GLU 84 Ca 0.05 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1dmo h GLU 84 Cb 0.73 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1dmo h GLU 84 CO 0.05 0.21 -0.21 0.82 -1.00 0.00 0.00 179.01 178.87 1dmo h ILE 85 N 0.32 0.13 -0.59 3.13 2.04 -1.18 -2.12 117.51 119.24 1dmo h ILE 85 Ca 0.09 -0.58 0.08 0.00 1.00 0.00 0.00 64.86 65.45 1dmo h ILE 85 Cb -0.01 0.21 -0.10 0.00 -0.74 0.00 0.00 36.82 36.17 1dmo h ILE 85 CO -0.02 0.03 -0.47 0.03 0.00 0.00 0.00 178.15 177.72 1dmo h ARG 86 N -1.12 -0.23 -0.51 2.37 3.08 -1.13 0.14 114.38 116.98 1dmo h ARG 86 Ca -0.06 0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.09 1dmo h ARG 86 Cb 0.51 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.54 1dmo h ARG 86 CO 0.10 -0.15 0.10 1.49 -1.07 0.00 0.00 179.97 180.44 1dmo h GLU 87 N -0.24 0.22 -1.31 0.04 4.81 -1.51 0.96 114.58 117.56 1dmo h GLU 87 Ca 0.16 -0.01 0.41 0.00 -0.13 0.00 0.00 59.36 59.79 1dmo h GLU 87 Cb 0.56 -0.05 -0.11 0.00 0.63 0.00 0.00 28.75 29.78 1dmo h GLU 87 CO -0.70 0.15 0.86 0.00 -0.73 0.00 0.00 179.01 178.59 1dmo h ALA 88 N 1.40 2.76 0.12 2.92 0.00 -0.01 0.28 119.26 126.73 1dmo h ALA 88 Ca 0.26 0.08 -0.19 0.00 0.00 0.00 0.00 54.91 55.06 1dmo h ALA 88 Cb 0.36 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1dmo h ALA 88 CO -0.34 -1.33 -0.91 0.74 0.00 0.00 0.00 179.25 177.41 1dmo h PHE 89 N 0.12 0.44 -0.10 0.00 0.04 -0.42 -3.26 116.94 113.77 1dmo h PHE 89 Ca 0.77 -0.32 0.03 0.00 2.80 0.00 0.00 57.97 61.25 1dmo h PHE 89 Cb 2.46 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 40.59 1dmo h PHE 89 CO -0.00 1.35 0.56 0.00 -0.60 0.00 0.00 178.31 179.62 1dmo h ARG 90 N -0.44 0.00 0.46 1.51 2.47 0.40 -0.74 114.38 118.04 1dmo h ARG 90 Ca -0.18 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.52 1dmo h ARG 90 Cb 1.60 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.92 1dmo h ARG 90 CO 0.10 0.00 -0.22 0.28 0.56 0.00 0.00 179.97 180.69 1dmo h VAL 91 N 0.00 0.55 -0.23 2.04 2.07 -1.43 -2.24 116.25 117.02 1dmo h VAL 91 Ca 0.05 -0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 1dmo h VAL 91 Cb 1.17 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1dmo h VAL 91 CO -0.00 0.00 0.06 0.49 0.02 0.00 0.00 177.57 178.14 1dmo n PHE 92 N -5.35 0.78 -1.17 1.57 3.01 -0.29 -4.24 117.46 111.76 1dmo n PHE 92 Ca -0.11 -0.43 -0.28 0.00 1.01 0.00 0.00 57.45 57.63 1dmo n PHE 92 Cb 0.26 -0.30 0.07 0.00 -0.01 0.00 0.00 39.48 39.49 1dmo n PHE 92 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1dmo n ASP 93 N 0.14 7.11 -0.07 4.37 2.03 -0.84 -4.33 116.55 124.96 1dmo n ASP 93 Ca 0.12 -3.54 0.12 0.00 0.52 0.00 0.00 54.79 52.02 1dmo n ASP 93 Cb 0.65 -0.99 0.29 0.00 -0.72 0.00 0.00 41.12 40.35 1dmo n ASP 93 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1dmo n LYS 94 N -0.52 0.23 0.06 -0.67 5.02 -1.26 -4.02 118.16 117.01 1dmo n LYS 94 Ca 0.52 -0.13 0.21 0.00 -2.02 0.00 0.00 58.31 56.89 1dmo n LYS 94 Cb 0.68 -1.50 0.69 0.00 -0.02 0.00 0.00 35.03 34.88 1dmo n LYS 94 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1dmo h ASP 95 N 0.32 0.00 -0.66 4.39 1.82 -1.89 -3.44 116.42 116.96 1dmo h ASP 95 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1dmo h ASP 95 Cb 0.50 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.51 1dmo h ASP 95 CO 0.00 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.24 1dmo n GLY 96 N -1.50 0.70 0.00 -0.78 0.00 -1.26 -5.05 105.19 97.30 1dmo n GLY 96 Ca 0.09 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.33 0.00 0.00 1.61 2.85 -1.26 -5.06 115.26 113.07 1dmo n ASN 97 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1dmo n ASN 97 Cb 0.13 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.15 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 0.45 3.82 8.20 0.00 -1.26 -5.12 105.19 111.27 1dmo n GLY 98 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1dmo n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dmo s TYR 99 N 0.00 2.64 0.18 1.61 2.02 -1.26 -4.47 117.35 118.07 1dmo s TYR 99 Ca 0.00 -0.54 0.08 0.00 -0.37 0.00 0.00 57.07 56.24 1dmo s TYR 99 Cb 0.00 -2.08 -0.04 0.00 -0.40 0.00 0.00 41.96 39.44 1dmo s TYR 99 CO 0.00 0.01 -0.16 0.96 -1.57 0.00 0.00 175.55 174.78 1dmo s ILE 100 N -2.54 1.77 0.16 2.71 -4.36 0.17 -4.77 121.20 114.34 1dmo s ILE 100 Ca 0.45 -2.03 -0.30 0.00 -0.26 0.00 0.00 60.65 58.50 1dmo s ILE 100 Cb -0.00 -1.91 -0.08 0.00 1.25 0.00 0.00 42.46 41.72 1dmo s ILE 100 CO 0.25 -0.44 1.31 -0.44 0.24 0.00 0.00 174.94 175.86 1dmo s SER 101 N -2.93 6.92 0.55 4.36 0.01 -1.26 -0.31 113.70 121.04 1dmo s SER 101 Ca 0.18 2.31 0.28 0.00 1.31 0.00 0.00 55.95 60.04 1dmo s SER 101 Cb -0.04 -2.60 1.46 0.00 0.21 0.00 0.00 66.02 65.05 1dmo s SER 101 CO 0.07 -0.54 1.94 0.00 0.41 0.00 0.00 173.24 175.12 1dmo h ALA 102 N 5.93 2.48 0.30 1.44 0.00 -1.83 0.48 119.26 128.06 1dmo h ALA 102 Ca -0.44 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1dmo h ALA 102 Cb 1.21 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1dmo h ALA 102 CO 0.80 -0.80 -0.15 0.00 0.00 0.00 0.00 179.25 179.10 1dmo h ALA 103 N 1.60 -0.81 -0.74 0.00 0.00 -1.91 -1.21 119.26 116.18 1dmo h ALA 103 Ca 0.29 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 55.27 1dmo h ALA 103 Cb 1.26 0.16 -0.11 0.00 0.00 0.00 0.00 17.79 19.09 1dmo h ALA 103 CO -0.00 -0.78 0.16 0.93 0.00 0.00 0.00 179.25 179.56 1dmo h GLU 104 N -0.54 0.24 -0.42 0.00 3.07 -1.80 0.12 114.58 115.26 1dmo h GLU 104 Ca -0.04 -0.01 0.08 0.00 -0.50 0.00 0.00 59.36 58.89 1dmo h GLU 104 Cb 0.31 -0.05 -0.09 0.00 -0.84 0.00 0.00 28.75 28.08 1dmo h GLU 104 CO 0.07 0.16 -0.29 1.25 -1.40 0.00 0.00 179.01 178.79 1dmo h LEU 105 N 0.25 -0.99 -1.98 1.33 6.46 -0.87 1.36 115.31 120.87 1dmo h LEU 105 Ca 0.42 0.19 0.31 0.00 -0.12 0.00 0.00 57.88 58.68 1dmo h LEU 105 Cb 0.74 0.48 -0.04 0.00 -0.73 0.00 0.00 40.66 41.10 1dmo h LEU 105 CO -0.54 -0.30 0.78 -0.09 -0.62 0.00 0.00 178.44 177.67 1dmo h ARG 106 N -0.22 0.00 0.03 1.25 2.43 0.52 1.54 114.38 119.93 1dmo h ARG 106 Ca 0.19 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.14 1dmo h ARG 106 Cb 0.52 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1dmo h ARG 106 CO -0.54 0.00 -0.98 1.25 -1.51 0.00 0.00 179.97 178.19 1dmo h HIS 107 N 0.00 0.27 0.00 2.20 2.76 0.20 -3.12 115.15 117.46 1dmo h HIS 107 Ca 0.50 -0.17 -0.02 0.00 -2.20 0.00 0.00 60.37 58.48 1dmo h HIS 107 Cb 2.06 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 30.99 1dmo h HIS 107 CO 0.00 1.04 -0.10 0.28 -1.30 0.00 0.00 177.93 177.86 1dmo h VAL 108 N 0.07 0.90 0.00 5.26 2.07 0.49 0.71 116.25 125.76 1dmo h VAL 108 Ca -0.06 -0.35 -0.10 0.00 0.82 0.00 0.00 66.70 67.01 1dmo h VAL 108 Cb 1.66 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.62 1dmo h VAL 108 CO 0.15 0.09 -0.61 0.24 0.02 0.00 0.00 177.57 177.46 1dmo h MET 109 N 0.00 0.00 0.02 1.57 2.07 -1.35 -2.75 114.93 114.50 1dmo h MET 109 Ca -0.00 0.00 -0.26 0.00 -2.07 0.00 0.00 59.70 57.37 1dmo h MET 109 Cb 0.19 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 29.89 1dmo h MET 109 CO 0.01 0.43 -1.37 1.15 1.07 0.00 0.00 176.91 178.20 1dmo h THR 110 N 0.00 1.28 -0.00 2.22 2.02 -1.17 -3.28 112.91 113.98 1dmo h THR 110 Ca -0.03 -3.03 0.00 0.00 0.77 0.00 0.00 66.41 64.12 1dmo h THR 110 Cb 1.38 2.67 0.00 0.00 -1.74 0.00 0.00 68.15 70.46 1dmo h THR 110 CO 0.06 0.77 -0.21 -3.20 0.37 0.00 0.00 175.52 173.31 1dmo n ASN 111 N -3.26 0.57 0.00 4.18 2.85 0.12 -4.30 115.26 115.42 1dmo n ASN 111 Ca -0.10 -0.49 0.00 0.00 -0.11 0.00 0.00 54.58 53.89 1dmo n ASN 111 Cb 1.00 -0.00 0.00 0.00 1.24 0.00 0.00 39.78 42.02 1dmo n ASN 111 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1dmo n LEU 112 N -1.03 0.15 0.00 1.20 7.94 -1.04 -5.02 117.00 119.20 1dmo n LEU 112 Ca 0.11 0.70 0.00 0.00 -1.11 0.00 0.00 56.01 55.71 1dmo n LEU 112 Cb 0.31 -0.45 0.00 0.00 0.53 0.00 0.00 43.42 43.81 1dmo n LEU 112 CO 0.27 -0.45 0.00 0.61 -1.11 0.00 0.00 177.39 176.71 1dmo n GLY 113 N 0.57 0.31 2.80 -3.96 0.00 -1.26 -5.05 105.19 98.60 1dmo n GLY 113 Ca 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 1dmo n GLY 113 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1dmo s GLU 114 N 0.00 0.41 -0.34 1.61 2.12 -1.26 -5.08 118.70 116.15 1dmo s GLU 114 Ca 0.00 -0.28 -0.01 0.00 0.36 0.00 0.00 54.97 55.04 1dmo s GLU 114 Cb 0.00 0.01 0.13 0.00 0.26 0.00 0.00 34.13 34.53 1dmo s GLU 114 CO 0.00 -0.54 0.19 0.15 -0.54 0.00 0.00 175.26 174.52 1dmo s LYS 115 N 1.46 0.48 0.12 4.30 -0.14 -1.26 -5.04 119.74 119.66 1dmo s LYS 115 Ca 0.20 -1.17 0.00 0.00 -1.36 0.00 0.00 55.97 53.64 1dmo s LYS 115 Cb 0.05 -1.27 0.00 0.00 -1.68 0.00 0.00 37.83 34.93 1dmo s LYS 115 CO -0.11 -1.17 0.00 1.28 -0.76 0.00 0.00 175.35 174.59 1dmo n LEU 116 N 4.29 -6.35 -4.24 3.17 4.32 -1.26 -4.90 117.00 112.02 1dmo n LEU 116 Ca 0.08 3.13 -0.33 0.00 -0.02 0.00 0.00 56.01 58.87 1dmo n LEU 116 Cb 0.38 -3.23 0.16 0.00 -1.62 0.00 0.00 43.42 39.10 1dmo n LEU 116 CO 0.12 -2.36 -0.75 0.35 -1.22 0.00 0.00 177.39 173.54 1dmo n THR 117 N 1.93 0.00 -0.19 -5.08 -2.24 -1.26 -4.39 114.28 103.05 1dmo n THR 117 Ca 0.00 -0.27 0.04 0.00 -2.27 0.00 0.00 64.05 61.56 1dmo n THR 117 Cb 0.00 -0.53 0.31 0.00 -2.10 0.00 0.00 70.33 68.01 1dmo n THR 117 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1dmo h ASP 118 N -1.96 0.74 0.77 3.42 3.04 -1.98 -0.40 116.42 120.05 1dmo h ASP 118 Ca -0.52 -0.01 -0.04 0.00 -3.24 0.00 0.00 57.03 53.23 1dmo h ASP 118 Cb 1.37 -0.17 0.00 0.00 -1.04 0.00 0.00 39.33 39.50 1dmo h ASP 118 CO 0.36 0.50 -0.40 -0.33 -2.04 0.00 0.00 179.24 177.33 1dmo h GLU 119 N 0.85 -1.04 -0.70 4.15 3.07 -1.99 0.28 114.58 119.20 1dmo h GLU 119 Ca 0.30 0.07 0.02 0.00 -0.50 0.00 0.00 59.36 59.25 1dmo h GLU 119 Cb 0.11 0.24 -0.04 0.00 -0.84 0.00 0.00 28.75 28.22 1dmo h GLU 119 CO -0.09 -0.69 0.47 0.93 -1.40 0.00 0.00 179.01 178.23 1dmo h GLU 120 N -1.08 0.88 -0.20 2.33 4.39 -1.80 -1.37 114.58 117.74 1dmo h GLU 120 Ca -0.10 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.44 1dmo h GLU 120 Cb 0.84 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1dmo h GLU 120 CO 0.15 0.59 -0.31 0.28 -1.16 0.00 0.00 179.01 178.55 1dmo h VAL 121 N 0.91 1.28 -0.18 3.13 2.07 -0.74 -2.05 116.25 120.67 1dmo h VAL 121 Ca 0.27 -1.36 -0.08 0.00 0.82 0.00 0.00 66.70 66.35 1dmo h VAL 121 Cb -0.04 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1dmo h VAL 121 CO -0.07 0.42 -0.22 -0.78 0.02 0.00 0.00 177.57 176.95 1dmo h ASP 122 N 0.34 0.50 0.49 0.57 3.58 0.60 0.72 116.42 123.21 1dmo h ASP 122 Ca 0.04 -0.50 -0.03 0.00 0.42 0.00 0.00 57.03 56.96 1dmo h ASP 122 Cb 0.73 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.63 1dmo h ASP 122 CO 0.06 0.90 -0.15 -0.08 -2.88 0.00 0.00 179.24 177.09 1dmo h GLU 123 N 0.11 0.00 0.10 0.28 4.81 -1.24 -2.62 114.58 116.01 1dmo h GLU 123 Ca 0.02 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 59.00 1dmo h GLU 123 Cb 0.78 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 1dmo h GLU 123 CO 0.05 0.15 -1.28 1.98 -0.73 0.00 0.00 179.01 179.18 1dmo h MET 124 N 0.00 0.20 -0.52 1.92 4.05 -1.22 -3.33 114.93 116.03 1dmo h MET 124 Ca -0.00 -0.34 0.07 0.00 -0.28 0.00 0.00 59.70 59.15 1dmo h MET 124 Cb 0.43 0.13 -0.06 0.00 -0.80 0.00 0.00 31.60 31.30 1dmo h MET 124 CO 0.02 1.16 0.18 0.82 0.23 0.00 0.00 176.91 179.33 1dmo h ILE 125 N -0.43 0.81 0.00 1.77 2.04 -0.74 0.39 117.51 121.35 1dmo h ILE 125 Ca -0.28 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.45 1dmo h ILE 125 Cb 1.66 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 1dmo h ILE 125 CO 0.03 0.07 0.00 0.54 0.00 0.00 0.00 178.15 178.78 1dmo n ARG 126 N -5.01 0.08 -0.11 2.37 5.12 -1.00 -0.43 116.66 117.68 1dmo n ARG 126 Ca 0.06 0.55 0.04 0.00 -1.93 0.00 0.00 57.85 56.58 1dmo n ARG 126 Cb 0.22 -1.76 0.11 0.00 -1.16 0.00 0.00 32.46 29.86 1dmo n ARG 126 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1dmo n GLU 127 N -1.94 2.41 0.00 5.56 4.07 0.12 -4.82 120.64 126.05 1dmo n GLU 127 Ca -0.00 -1.77 0.00 0.00 -0.06 0.00 0.00 57.16 55.32 1dmo n GLU 127 Cb 0.04 -1.21 0.00 0.00 -0.06 0.00 0.00 31.44 30.22 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 0.34 0.00 -2.58 4.31 0.00 0.42 -4.86 120.51 118.14 1dmo n ALA 128 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.40 1dmo n ALA 128 Cb 0.36 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.84 1dmo n ALA 128 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1dmo n ASN 129 N 0.00 2.66 -4.71 0.00 4.05 -1.26 -5.10 115.26 110.90 1dmo n ASN 129 Ca 0.00 -2.88 -0.29 0.00 0.45 0.00 0.00 54.58 51.86 1dmo n ASN 129 Cb 0.00 -0.47 0.16 0.00 1.23 0.00 0.00 39.78 40.69 1dmo n ASN 129 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1dmo s ILE 130 N -4.02 2.27 0.00 -1.44 -1.09 -1.26 -4.75 121.20 110.92 1dmo s ILE 130 Ca 0.35 0.09 0.00 0.00 -2.23 0.00 0.00 60.65 58.86 1dmo s ILE 130 Cb 0.40 -2.62 0.00 0.00 -1.58 0.00 0.00 42.46 38.66 1dmo s ILE 130 CO -0.03 -0.12 0.00 -0.67 -1.23 0.00 0.00 174.94 172.89 1dmo n ASP 131 N -4.02 0.00 0.00 3.58 2.03 -1.26 -4.98 116.55 111.90 1dmo n ASP 131 Ca 0.06 -0.63 0.00 0.00 0.52 0.00 0.00 54.79 54.74 1dmo n ASP 131 Cb 0.57 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 1dmo n ASP 131 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1dmo n GLY 132 N 0.00 2.72 0.21 0.27 0.00 -1.26 -4.89 105.19 102.24 1dmo n GLY 132 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1dmo n GLY 132 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dmo h ASP 133 N 0.28 0.87 0.00 1.61 3.32 -1.97 -3.48 116.42 117.05 1dmo h ASP 133 Ca 0.00 -0.63 0.00 0.00 0.02 0.00 0.00 57.03 56.42 1dmo h ASP 133 Cb 0.00 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.29 1dmo h ASP 133 CO 0.00 1.36 0.00 0.61 -1.72 0.00 0.00 179.24 179.49 1dmo n GLY 134 N 0.70 0.55 3.34 2.75 0.00 -1.26 -5.13 105.19 106.14 1dmo n GLY 134 Ca -0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 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 0.90 1.34 -0.23 1.61 -1.52 -1.26 -4.25 119.66 116.24 1dmo s GLN 135 Ca 0.00 -1.66 -0.04 0.00 -1.95 0.00 0.00 55.36 51.70 1dmo s GLN 135 Cb 0.00 -0.73 0.12 0.00 -0.22 0.00 0.00 33.01 32.18 1dmo s GLN 135 CO 0.00 -0.04 0.42 0.08 -0.25 0.00 0.00 175.29 175.50 1dmo s VAL 136 N -3.32 -0.66 -1.13 1.09 1.01 0.58 -4.40 120.40 113.57 1dmo s VAL 136 Ca 0.27 0.04 -0.24 0.00 0.00 0.00 0.00 61.98 62.05 1dmo s VAL 136 Cb 0.05 -0.77 -0.10 0.00 0.00 0.00 0.00 36.38 35.55 1dmo s VAL 136 CO 0.08 -0.03 1.97 0.21 0.00 0.00 0.00 175.10 177.33 1dmo s ASN 137 N 2.61 4.79 0.62 3.32 2.47 -1.26 -0.66 114.94 126.83 1dmo s ASN 137 Ca 0.07 -1.40 0.17 0.00 0.42 0.00 0.00 52.86 52.12 1dmo s ASN 137 Cb -0.14 -2.59 0.60 0.00 -1.45 0.00 0.00 41.25 37.67 1dmo s ASN 137 CO -0.15 -3.29 1.19 0.00 -3.72 0.00 0.00 177.10 171.13 1dmo n TYR 138 N 15.18 0.00 0.08 0.43 0.18 -1.26 0.31 117.16 132.08 1dmo n TYR 138 Ca 0.44 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 60.09 1dmo n TYR 138 Cb 0.47 -0.17 -0.08 0.00 -0.38 0.00 0.00 39.34 39.17 1dmo n TYR 138 CO 0.00 0.00 0.00 0.93 -2.08 0.00 0.00 176.86 175.71 1dmo h GLU 139 N 0.00 -0.19 0.00 -3.48 5.08 -1.85 0.66 114.58 114.80 1dmo h GLU 139 Ca 0.32 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.67 1dmo h GLU 139 Cb 2.61 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 31.90 1dmo h GLU 139 CO -0.00 0.08 -0.15 0.93 -1.00 0.00 0.00 179.01 178.87 1dmo h GLU 140 N -0.45 0.00 0.01 2.33 4.39 -0.54 -2.36 114.58 117.95 1dmo h GLU 140 Ca -0.02 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.47 1dmo h GLU 140 Cb 0.36 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1dmo h GLU 140 CO 0.03 0.15 -0.90 0.35 -1.16 0.00 0.00 179.01 177.48 1dmo h PHE 141 N 0.00 0.36 -0.97 4.33 3.04 -0.87 0.02 116.94 122.85 1dmo h PHE 141 Ca -0.00 -0.20 0.04 0.00 3.98 0.00 0.00 57.97 61.79 1dmo h PHE 141 Cb 0.58 -0.04 -0.06 0.00 2.56 0.00 0.00 35.95 38.99 1dmo h PHE 141 CO 0.00 1.02 0.63 0.28 -2.02 0.00 0.00 178.31 178.22 1dmo h VAL 142 N 0.13 1.15 0.11 1.41 2.07 0.87 -1.49 116.25 120.50 1dmo h VAL 142 Ca -0.05 -0.41 -0.35 0.00 0.82 0.00 0.00 66.70 66.70 1dmo h VAL 142 Cb 1.54 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1dmo h VAL 142 CO 0.14 0.22 -1.93 0.00 0.02 0.00 0.00 177.57 176.02 1dmo n GLN 143 N -4.45 0.74 0.02 1.57 6.02 -1.21 -3.93 117.38 116.14 1dmo n GLN 143 Ca 0.13 0.29 0.03 0.00 -0.01 0.00 0.00 57.00 57.45 1dmo n GLN 143 Cb 0.12 -1.71 0.15 0.00 1.02 0.00 0.00 30.24 29.82 1dmo n GLN 143 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 1dmo n MET 144 N -3.59 0.02 0.11 -1.09 1.56 -0.01 -1.42 117.12 112.71 1dmo n MET 144 Ca -0.32 0.46 0.11 0.00 -0.27 0.00 0.00 57.70 57.67 1dmo n MET 144 Cb 1.01 -1.56 0.46 0.00 2.15 0.00 0.00 33.22 35.27 1dmo n MET 144 CO 0.00 0.00 0.00 -1.33 -0.73 0.00 0.00 175.97 173.91 1dmo n MET 145 N -1.61 0.15 -1.07 2.12 2.81 -0.57 -2.48 117.12 116.46 1dmo n MET 145 Ca 0.01 0.41 -0.24 0.00 -1.81 0.00 0.00 57.70 56.07 1dmo n MET 145 Cb 0.05 -1.81 0.11 0.00 -0.71 0.00 0.00 33.22 30.86 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 -2.10 3.04 -3.64 2.03 -1.04 -0.50 -4.88 114.28 107.19 1dmo n THR 146 Ca 0.02 -1.98 -0.13 0.00 -2.04 0.00 0.00 64.05 59.91 1dmo n THR 146 Cb 0.20 -0.89 -0.07 0.00 -1.82 0.00 0.00 70.33 67.74 1dmo n THR 146 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1dmo s ALA 147 N -2.86 -1.71 -2.20 2.41 0.00 -1.04 -5.17 121.76 111.19 1dmo s ALA 147 Ca 0.49 1.98 0.30 0.00 0.00 0.00 0.00 51.96 54.74 1dmo s ALA 147 Cb 0.40 -1.16 1.57 0.00 0.00 0.00 0.00 23.12 23.93 1dmo s ALA 147 CO 0.04 -0.33 2.04 1.17 0.00 0.00 0.00 175.76 178.68