#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dmo n ASP 2 N 0.00 3.19 -3.64 0.00 9.92 -1.26 -4.87 116.55 119.89 1dmo n ASP 2 Ca 0.00 -3.28 -0.09 0.00 -0.53 0.00 0.00 54.79 50.89 1dmo n ASP 2 Cb 0.00 -0.56 -0.07 0.00 -0.64 0.00 0.00 41.12 39.85 1dmo n ASP 2 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1dmo s GLN 3 N -2.98 0.55 0.00 -1.24 0.74 -1.26 -5.14 119.66 110.33 1dmo s GLN 3 Ca 0.41 0.71 0.00 0.00 0.05 0.00 0.00 55.36 56.53 1dmo s GLN 3 Cb 0.35 0.23 0.00 0.00 1.10 0.00 0.00 33.01 34.70 1dmo s GLN 3 CO 0.05 -0.07 0.00 1.28 -0.55 0.00 0.00 175.29 175.99 1dmo n LEU 4 N 2.66 0.00 -4.81 3.68 4.32 -1.26 -4.87 117.00 116.72 1dmo n LEU 4 Ca -0.14 0.00 -0.38 0.00 -0.02 0.00 0.00 56.01 55.47 1dmo n LEU 4 Cb 0.56 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.30 1dmo n LEU 4 CO 0.02 -1.16 0.15 -0.89 -1.22 0.00 0.00 177.39 174.29 1dmo s THR 5 N -0.80 5.00 0.38 -5.08 2.01 -1.26 -4.94 115.64 110.93 1dmo s THR 5 Ca 0.00 0.93 0.20 0.00 0.31 0.00 0.00 61.69 63.14 1dmo s THR 5 Cb 0.00 -3.77 0.38 0.00 0.01 0.00 0.00 72.50 69.12 1dmo s THR 5 CO 0.00 0.53 1.64 -0.33 -0.69 0.00 0.00 174.62 175.77 1dmo h GLU 6 N 5.03 0.19 0.05 4.92 3.07 -1.99 0.43 114.58 126.28 1dmo h GLU 6 Ca -0.49 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.35 1dmo h GLU 6 Cb 1.21 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 1dmo h GLU 6 CO 0.64 0.12 -0.03 1.49 -1.40 0.00 0.00 179.01 179.84 1dmo h GLU 7 N 0.19 -0.07 -0.98 2.33 4.81 -1.99 -1.53 114.58 117.34 1dmo h GLU 7 Ca 0.78 0.00 0.23 0.00 -0.13 0.00 0.00 59.36 60.24 1dmo h GLU 7 Cb 2.03 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 31.34 1dmo h GLU 7 CO -0.58 0.30 0.63 1.96 -0.73 0.00 0.00 179.01 180.59 1dmo h GLN 8 N -0.45 0.46 -0.14 1.92 4.20 -0.60 0.86 115.11 121.36 1dmo h GLN 8 Ca -0.01 -0.03 -0.13 0.00 0.06 0.00 0.00 58.65 58.54 1dmo h GLN 8 Cb 0.40 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1dmo h GLN 8 CO 0.01 0.30 -0.49 0.82 -0.67 0.00 0.00 178.83 178.81 1dmo h ILE 9 N 0.47 1.33 -0.18 2.54 2.04 -0.81 -1.28 117.51 121.62 1dmo h ILE 9 Ca 0.54 -1.71 -0.03 0.00 1.00 0.00 0.00 64.86 64.67 1dmo h ILE 9 Cb 1.27 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 39.10 1dmo h ILE 9 CO -0.26 0.52 0.01 0.00 0.00 0.00 0.00 178.15 178.42 1dmo h ALA 10 N 1.20 0.25 0.00 1.87 0.00 0.17 0.45 119.26 123.20 1dmo h ALA 10 Ca 0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1dmo h ALA 10 Cb 0.96 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1dmo h ALA 10 CO 0.08 -0.06 -0.25 0.93 0.00 0.00 0.00 179.25 179.95 1dmo h GLU 11 N 0.09 0.00 0.14 0.00 5.08 -1.00 -1.37 114.58 117.51 1dmo h GLU 11 Ca 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1dmo h GLU 11 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1dmo h GLU 11 CO 0.01 0.25 -0.07 0.74 -1.00 0.00 0.00 179.01 178.94 1dmo h PHE 12 N 0.00 -0.17 -0.99 4.33 -1.00 -0.76 -2.85 116.94 115.49 1dmo h PHE 12 Ca -0.00 -0.00 0.08 0.00 2.81 0.00 0.00 57.97 60.85 1dmo h PHE 12 Cb 0.48 0.06 -0.07 0.00 3.61 0.00 0.00 35.95 40.03 1dmo h PHE 12 CO 0.00 0.26 0.64 -0.22 -1.61 0.00 0.00 178.31 177.38 1dmo h LYS 13 N -0.70 1.09 -0.40 1.51 1.63 -0.72 0.11 116.57 119.09 1dmo h LYS 13 Ca -0.02 -0.07 0.08 0.00 -0.85 0.00 0.00 60.65 59.80 1dmo h LYS 13 Cb 0.51 -0.24 -0.08 0.00 -0.60 0.00 0.00 32.23 31.81 1dmo h LYS 13 CO 0.03 0.72 -0.15 0.93 -3.45 0.00 0.00 179.45 177.53 1dmo h GLU 14 N 1.12 -0.07 -0.25 1.90 4.39 -1.19 1.03 114.58 121.51 1dmo h GLU 14 Ca 0.44 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.12 1dmo h GLU 14 Cb 0.24 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1dmo h GLU 14 CO -0.19 -0.04 0.05 0.00 -1.16 0.00 0.00 179.01 177.67 1dmo h ALA 15 N 1.27 0.33 -0.04 3.43 0.00 -0.99 -0.79 119.26 122.47 1dmo h ALA 15 Ca 0.20 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1dmo h ALA 15 Cb 0.37 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1dmo h ALA 15 CO -0.45 -0.01 0.07 0.35 0.00 0.00 0.00 179.25 179.21 1dmo h PHE 16 N 0.23 0.00 0.00 0.00 3.57 0.70 -0.20 116.94 121.24 1dmo h PHE 16 Ca 0.08 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.44 1dmo h PHE 16 Cb 0.30 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1dmo h PHE 16 CO 0.02 0.00 -1.32 1.03 -2.23 0.00 0.00 178.31 175.81 1dmo h SER 17 N 0.00 0.00 -0.01 0.41 0.87 0.18 -3.30 113.55 111.71 1dmo h SER 17 Ca 0.02 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.43 1dmo h SER 17 Cb 0.16 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1dmo h SER 17 CO -0.00 0.47 -0.49 -0.07 -0.53 0.00 0.00 176.83 176.21 1dmo h LEU 18 N 0.00 0.62 -3.64 2.23 3.38 0.38 -2.93 115.31 115.35 1dmo h LEU 18 Ca -0.13 -0.31 -0.31 0.00 0.09 0.00 0.00 57.88 57.22 1dmo h LEU 18 Cb 1.48 -0.18 -0.18 0.00 0.09 0.00 0.00 40.66 41.87 1dmo h LEU 18 CO 0.04 1.01 0.39 0.49 0.09 0.00 0.00 178.44 180.46 1dmo n PHE 19 N -3.99 2.48 -3.53 1.13 3.72 -1.00 -4.90 117.46 111.38 1dmo n PHE 19 Ca -0.03 -1.35 -0.38 0.00 -0.05 0.00 0.00 57.45 55.64 1dmo n PHE 19 Cb 0.57 -0.74 -0.10 0.00 -0.94 0.00 0.00 39.48 38.27 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 -0.95 6.16 0.00 4.37 2.15 -1.11 -4.67 116.67 122.62 1dmo s ASP 20 Ca 0.51 0.16 0.00 0.00 0.43 0.00 0.00 52.55 53.65 1dmo s ASP 20 Cb 0.41 -2.15 0.00 0.00 -0.30 0.00 0.00 42.92 40.88 1dmo s ASP 20 CO 0.11 -0.06 0.00 1.17 -0.17 0.00 0.00 175.17 176.23 1dmo n LYS 21 N 4.86 0.00 -0.16 4.34 4.81 -1.26 -4.99 118.16 125.75 1dmo n LYS 21 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.32 1dmo n LYS 21 Cb 0.52 -0.06 0.00 0.00 0.02 0.00 0.00 35.03 35.50 1dmo n LYS 21 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1dmo n ASP 22 N 0.00 0.00 0.30 3.14 5.68 -1.26 -5.01 116.55 119.40 1dmo n ASP 22 Ca 0.00 -0.57 -0.12 0.00 -0.50 0.00 0.00 54.79 53.60 1dmo n ASP 22 Cb 0.00 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 39.92 1dmo n ASP 22 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1dmo h GLY 23 N 0.00 -0.83 0.00 6.12 0.00 -1.94 -3.46 103.07 102.96 1dmo h GLY 23 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1dmo h GLY 23 CO 0.00 -0.30 0.00 1.22 0.00 0.00 0.00 176.54 177.46 1dmo n ASP 24 N -4.77 0.00 0.00 0.19 9.92 -1.26 -5.04 116.55 115.59 1dmo n ASP 24 Ca -0.10 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.16 1dmo n ASP 24 Cb 0.31 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.79 1dmo n ASP 24 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1dmo n GLY 25 N -0.27 0.10 3.21 0.44 0.00 -1.26 -5.17 105.19 102.24 1dmo n GLY 25 Ca 0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 1dmo n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dmo s THR 26 N 0.00 0.08 0.17 2.61 -4.23 -1.26 -4.15 115.64 108.86 1dmo s THR 26 Ca 0.00 -0.67 0.04 0.00 -1.18 0.00 0.00 61.69 59.88 1dmo s THR 26 Cb 0.00 -0.77 -0.04 0.00 1.34 0.00 0.00 72.50 73.03 1dmo s THR 26 CO 0.00 -0.37 0.20 0.27 -0.54 0.00 0.00 174.62 174.18 1dmo s ILE 27 N -2.02 4.79 0.13 2.99 -4.36 -0.43 -4.50 121.20 117.79 1dmo s ILE 27 Ca -0.09 -0.97 -0.20 0.00 -0.26 0.00 0.00 60.65 59.13 1dmo s ILE 27 Cb -0.03 -3.47 -0.07 0.00 1.25 0.00 0.00 42.46 40.14 1dmo s ILE 27 CO -0.00 -0.13 0.63 0.42 0.24 0.00 0.00 174.94 176.10 1dmo s THR 28 N -1.78 4.66 0.43 8.37 -4.23 -1.26 -0.07 115.64 121.76 1dmo s THR 28 Ca 0.32 1.26 0.31 0.00 -1.18 0.00 0.00 61.69 62.41 1dmo s THR 28 Cb -0.10 -3.91 0.49 0.00 1.34 0.00 0.00 72.50 70.31 1dmo s THR 28 CO 0.25 0.44 1.57 0.35 -0.54 0.00 0.00 174.62 176.70 1dmo n THR 29 N 1.39 -0.27 0.01 3.99 -2.24 -1.26 0.71 114.28 116.60 1dmo n THR 29 Ca -0.07 1.84 -0.12 0.00 -2.27 0.00 0.00 64.05 63.43 1dmo n THR 29 Cb 0.51 -3.02 -0.08 0.00 -2.10 0.00 0.00 70.33 65.64 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 0.04 0.00 -0.78 2.10 -1.91 -1.97 116.57 114.05 1dmo h LYS 30 Ca 0.88 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.52 1dmo h LYS 30 Cb 2.78 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 34.11 1dmo h LYS 30 CO -0.51 0.21 0.00 0.39 -2.00 0.00 0.00 179.45 177.54 1dmo n GLU 31 N -4.98 0.04 -0.01 0.07 -0.58 0.22 -3.67 120.64 111.73 1dmo n GLU 31 Ca -0.07 0.19 -0.09 0.00 -0.42 0.00 0.00 57.16 56.76 1dmo n GLU 31 Cb 0.11 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.42 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 -1.07 -0.67 -4.62 5.85 -0.27 0.14 115.31 114.67 1dmo h LEU 32 Ca 0.00 0.13 0.14 0.00 0.84 0.00 0.00 57.88 58.99 1dmo h LEU 32 Cb 0.28 0.42 -0.12 0.00 0.37 0.00 0.00 40.66 41.61 1dmo h LEU 32 CO 0.00 -0.30 -0.08 1.23 -0.34 0.00 0.00 178.44 178.95 1dmo h GLY 33 N -0.36 0.61 0.27 3.75 0.00 -1.71 0.40 103.07 106.02 1dmo h GLY 33 Ca 0.02 0.16 0.16 0.00 0.00 0.00 0.00 47.33 47.66 1dmo h GLY 33 CO -0.27 -0.25 0.61 -0.84 0.00 0.00 0.00 176.54 175.80 1dmo h THR 34 N 0.05 0.79 -0.10 4.70 2.02 -1.47 0.18 112.91 119.08 1dmo h THR 34 Ca 0.34 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 1dmo h THR 34 Cb 0.55 -0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 66.82 1dmo h THR 34 CO -0.63 0.16 0.01 0.58 0.37 0.00 0.00 175.52 176.00 1dmo h VAL 35 N 0.85 1.24 -0.77 3.16 2.07 0.17 -2.61 116.25 120.37 1dmo h VAL 35 Ca 0.54 -0.76 0.03 0.00 0.82 0.00 0.00 66.70 67.32 1dmo h VAL 35 Cb 0.72 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 1dmo h VAL 35 CO -0.33 0.22 0.51 0.24 0.02 0.00 0.00 177.57 178.22 1dmo h MET 36 N -0.08 0.95 -0.61 1.57 2.86 -0.00 -0.03 114.93 119.58 1dmo h MET 36 Ca 0.03 -0.06 0.05 0.00 -2.06 0.00 0.00 59.70 57.67 1dmo h MET 36 Cb 0.33 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 31.74 1dmo h MET 36 CO 0.00 0.63 0.41 -0.09 1.06 0.00 0.00 176.91 178.92 1dmo h ARG 37 N 0.98 0.61 0.00 1.72 1.12 -0.44 0.12 114.38 118.49 1dmo h ARG 37 Ca 0.30 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 59.13 1dmo h ARG 37 Cb -0.01 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 29.81 1dmo h ARG 37 CO -0.08 0.41 0.00 1.03 -3.11 0.00 0.00 179.97 178.22 1dmo h SER 38 N 0.63 0.00 -0.03 -3.80 0.87 -0.66 -3.27 113.55 107.29 1dmo h SER 38 Ca 0.26 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.58 1dmo h SER 38 Cb 0.23 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1dmo h SER 38 CO -0.08 0.00 -0.91 -0.07 -0.53 0.00 0.00 176.83 175.24 1dmo h LEU 39 N 0.00 0.89 0.00 2.23 4.07 0.03 -3.49 115.31 119.05 1dmo h LEU 39 Ca 0.00 -0.65 0.00 0.00 0.08 0.00 0.00 57.88 57.31 1dmo h LEU 39 Cb 0.88 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.36 1dmo h LEU 39 CO 0.00 1.45 0.00 0.61 -1.08 0.00 0.00 178.44 179.42 1dmo n GLY 40 N 0.89 -1.01 3.91 0.83 0.00 -1.00 -5.07 105.19 103.74 1dmo n GLY 40 Ca -0.09 0.44 -0.27 0.00 0.00 0.00 0.00 46.02 46.10 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 3.06 -0.23 1.61 -0.21 -1.26 -4.96 119.66 117.67 1dmo s GLN 41 Ca 0.00 0.07 -0.09 0.00 0.02 0.00 0.00 55.36 55.36 1dmo s GLN 41 Cb 0.00 -2.28 -0.05 0.00 1.00 0.00 0.00 33.01 31.69 1dmo s GLN 41 CO 0.00 -0.62 0.13 1.21 -2.12 0.00 0.00 175.29 173.89 1dmo s ASN 42 N -4.27 5.87 0.78 5.90 2.47 -1.26 -3.58 114.94 120.86 1dmo s ASN 42 Ca 0.53 0.05 0.00 0.00 0.42 0.00 0.00 52.86 53.86 1dmo s ASN 42 Cb -0.11 -2.05 0.00 0.00 -1.45 0.00 0.00 41.25 37.64 1dmo s ASN 42 CO 0.46 0.07 0.00 -0.81 -3.72 0.00 0.00 177.10 173.10 1dmo n PRO 43 N 4.25 -0.79 -3.69 0.43 -0.04 -1.26 -5.03 135.00 128.88 1dmo n PRO 43 Ca -0.15 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.20 1dmo n PRO 43 Cb 0.52 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.88 1dmo n PRO 43 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1dmo s THR 44 N -0.78 -0.02 0.57 0.52 -4.23 -1.26 -4.98 115.64 105.47 1dmo s THR 44 Ca 0.00 0.06 0.41 0.00 -1.18 0.00 0.00 61.69 60.97 1dmo s THR 44 Cb 0.00 -0.70 0.60 0.00 1.34 0.00 0.00 72.50 73.74 1dmo s THR 44 CO 0.00 0.02 1.54 -0.33 -0.54 0.00 0.00 174.62 175.31 1dmo h GLU 45 N 6.74 0.00 0.00 3.99 5.08 -1.98 0.57 114.58 128.98 1dmo h GLU 45 Ca -0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1dmo h GLU 45 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1dmo h GLU 45 CO 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.26 1dmo n ALA 46 N -2.67 0.00 -0.24 3.43 0.00 -1.26 -2.55 120.51 117.21 1dmo n ALA 46 Ca 0.34 -0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.81 1dmo n ALA 46 Cb 1.71 0.00 0.17 0.00 0.00 0.00 0.00 19.45 21.33 1dmo n ALA 46 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1dmo h GLU 47 N 0.00 0.41 -0.58 0.00 5.08 -1.83 0.32 114.58 117.98 1dmo h GLU 47 Ca 0.00 -0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.45 1dmo h GLU 47 Cb 0.00 -0.09 -0.09 0.00 0.50 0.00 0.00 28.75 29.07 1dmo h GLU 47 CO 0.00 0.27 0.04 1.25 -1.00 0.00 0.00 179.01 179.57 1dmo h LEU 48 N 0.42 -0.18 -1.40 1.33 5.85 -0.05 0.29 115.31 121.58 1dmo h LEU 48 Ca 0.39 0.13 -0.06 0.00 0.84 0.00 0.00 57.88 59.18 1dmo h LEU 48 Cb 0.57 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 1dmo h LEU 48 CO -0.39 -0.07 -0.30 -0.61 -0.34 0.00 0.00 178.44 176.73 1dmo h GLN 49 N 0.16 0.00 -0.09 1.25 4.15 -0.20 -2.37 115.11 118.01 1dmo h GLN 49 Ca 0.30 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.66 1dmo h GLN 49 Cb 0.47 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 1dmo h GLN 49 CO -0.46 0.30 -0.21 -0.44 -1.93 0.00 0.00 178.83 176.09 1dmo h ASP 50 N 0.00 0.15 -0.06 -0.69 3.32 0.17 -2.60 116.42 116.71 1dmo h ASP 50 Ca -0.00 -0.04 -0.13 0.00 0.02 0.00 0.00 57.03 56.88 1dmo h ASP 50 Cb 0.55 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 40.07 1dmo h ASP 50 CO 0.04 0.37 -0.46 0.24 -1.72 0.00 0.00 179.24 177.71 1dmo h MET 51 N 0.14 0.42 -0.15 3.56 2.86 -0.84 -3.11 114.93 117.82 1dmo h MET 51 Ca 0.03 -0.37 0.05 0.00 -2.06 0.00 0.00 59.70 57.35 1dmo h MET 51 Cb 0.46 0.08 -0.06 0.00 0.06 0.00 0.00 31.60 32.14 1dmo h MET 51 CO 0.03 1.01 -0.32 0.82 1.06 0.00 0.00 176.91 179.52 1dmo h ILE 52 N -0.04 0.29 0.00 -1.22 5.03 -1.24 0.57 117.51 120.90 1dmo h ILE 52 Ca -0.04 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.70 1dmo h ILE 52 Cb 1.12 0.29 0.00 0.00 -3.03 0.00 0.00 36.82 35.20 1dmo h ILE 52 CO 0.09 0.00 0.19 -1.13 -0.68 0.00 0.00 178.15 176.63 1dmo h ASN 53 N -0.38 0.00 -0.04 1.72 -0.00 -1.54 -1.30 115.58 114.04 1dmo h ASN 53 Ca 0.10 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.37 1dmo h ASN 53 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.86 1dmo h ASN 53 CO -0.37 0.00 -0.08 -0.08 -0.00 0.00 0.00 177.43 176.90 1dmo h GLU 54 N 0.00 0.13 0.00 6.67 4.81 0.22 -3.45 114.58 122.97 1dmo h GLU 54 Ca 0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1dmo h GLU 54 Cb 0.39 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1dmo h GLU 54 CO 0.00 0.67 0.00 1.33 -0.73 0.00 0.00 179.01 180.28 1dmo n VAL 55 N -4.69 0.00 -3.16 0.32 0.24 -0.49 -4.73 118.33 105.81 1dmo n VAL 55 Ca -0.08 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.06 1dmo n VAL 55 Cb 0.34 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.68 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 -1.25 -0.04 -1.34 2.03 -1.24 -4.76 116.55 109.95 1dmo n ASP 56 Ca 0.00 -0.15 -0.14 0.00 0.52 0.00 0.00 54.79 55.02 1dmo n ASP 56 Cb 0.00 -1.17 -0.09 0.00 -0.72 0.00 0.00 41.12 39.14 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 1.00 0.12 -0.24 -1.67 0.00 -1.90 -3.09 119.26 113.48 1dmo h ALA 57 Ca -0.22 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.26 1dmo h ALA 57 Cb 1.09 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1dmo h ALA 57 CO 0.32 0.08 0.07 -0.25 0.00 0.00 0.00 179.25 179.47 1dmo n ASP 58 N -4.54 2.80 -1.86 0.00 8.00 -1.26 -4.83 116.55 114.87 1dmo n ASP 58 Ca -0.08 -2.38 -0.04 0.00 0.71 0.00 0.00 54.79 53.00 1dmo n ASP 58 Cb 0.42 -0.58 -0.01 0.00 -0.02 0.00 0.00 41.12 40.94 1dmo n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dmo n GLY 59 N 0.13 -0.11 0.27 0.44 0.00 -1.17 -4.70 105.19 100.05 1dmo n GLY 59 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.26 1dmo n GLY 59 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1dmo h ASN 60 N 0.00 0.00 0.00 1.61 7.08 -1.88 -3.45 115.58 118.94 1dmo h ASN 60 Ca -0.08 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.14 1dmo h ASN 60 Cb 0.69 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.93 1dmo h ASN 60 CO 0.11 0.04 0.00 0.61 -2.08 0.00 0.00 177.43 176.11 1dmo n GLY 61 N -1.25 0.96 3.32 9.14 0.00 -1.26 -4.97 105.19 111.13 1dmo n GLY 61 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 1dmo n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dmo s THR 62 N -3.88 0.00 -0.06 2.61 -4.23 -1.26 -4.02 115.64 104.80 1dmo s THR 62 Ca 0.00 -1.83 0.03 0.00 -1.18 0.00 0.00 61.69 58.72 1dmo s THR 62 Cb 0.00 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.42 1dmo s THR 62 CO 0.00 0.00 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.28 1dmo s ILE 63 N -4.07 1.45 0.82 2.99 1.01 0.90 -4.83 121.20 119.47 1dmo s ILE 63 Ca 0.34 -0.69 -0.12 0.00 0.00 0.00 0.00 60.65 60.19 1dmo s ILE 63 Cb 0.05 -1.27 0.09 0.00 0.01 0.00 0.00 42.46 41.33 1dmo s ILE 63 CO 0.12 0.42 1.18 -1.81 0.00 0.00 0.00 174.94 174.85 1dmo s ASP 64 N 0.36 4.38 0.13 3.58 1.01 -1.26 -1.31 116.67 123.56 1dmo s ASP 64 Ca -0.11 0.80 -0.14 0.00 0.71 0.00 0.00 52.55 53.81 1dmo s ASP 64 Cb -0.15 -1.30 -0.01 0.00 1.01 0.00 0.00 42.92 42.48 1dmo s ASP 64 CO 0.04 -1.99 1.58 0.15 0.21 0.00 0.00 175.17 175.16 1dmo h PHE 65 N -1.11 0.84 -0.87 4.23 3.57 -1.97 -1.78 116.94 119.84 1dmo h PHE 65 Ca -0.47 -0.15 0.01 0.00 3.53 0.00 0.00 57.97 60.89 1dmo h PHE 65 Cb 1.33 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.81 1dmo h PHE 65 CO 0.30 0.83 0.57 -1.00 -2.23 0.00 0.00 178.31 176.78 1dmo h PRO 66 N 0.60 1.15 -0.48 6.41 0.13 -1.94 -1.79 132.00 136.08 1dmo h PRO 66 Ca 0.12 -0.08 -0.10 0.00 -0.87 0.00 0.00 66.00 65.07 1dmo h PRO 66 Cb 0.50 -0.26 -0.02 0.00 0.13 0.00 0.00 31.00 31.36 1dmo h PRO 66 CO 0.02 0.77 -0.11 0.93 -0.23 0.00 0.00 178.00 179.39 1dmo h GLU 67 N 1.18 0.89 -0.19 0.86 5.08 -1.92 -2.07 114.58 118.41 1dmo h GLU 67 Ca 0.32 -0.31 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1dmo h GLU 67 Cb -0.12 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1dmo h GLU 67 CO -0.07 0.95 0.13 0.35 -1.00 0.00 0.00 179.01 179.37 1dmo h PHE 68 N 0.80 0.13 0.10 4.33 3.57 -0.50 -2.06 116.94 123.31 1dmo h PHE 68 Ca 0.13 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 1dmo h PHE 68 Cb 0.63 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.33 1dmo h PHE 68 CO 0.04 0.08 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.07 1dmo h LEU 69 N 0.13 -0.11 -0.86 0.59 3.38 -0.71 -1.85 115.31 115.88 1dmo h LEU 69 Ca 0.08 -0.39 0.22 0.00 0.09 0.00 0.00 57.88 57.89 1dmo h LEU 69 Cb 0.16 0.03 -0.14 0.00 0.09 0.00 0.00 40.66 40.79 1dmo h LEU 69 CO -0.01 0.35 0.16 0.74 0.09 0.00 0.00 178.44 179.77 1dmo h THR 70 N -0.61 0.28 0.00 0.22 2.02 -1.02 1.82 112.91 115.62 1dmo h THR 70 Ca -0.01 -0.05 -0.07 0.00 0.77 0.00 0.00 66.41 67.04 1dmo h THR 70 Cb 0.49 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1dmo h THR 70 CO 0.02 0.03 -0.35 0.24 0.37 0.00 0.00 175.52 175.83 1dmo h MET 71 N 0.16 0.00 0.00 6.66 2.86 -1.36 -2.48 114.93 120.77 1dmo h MET 71 Ca 0.53 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 58.09 1dmo h MET 71 Cb 1.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.69 1dmo h MET 71 CO -0.69 0.35 -0.36 1.98 1.06 0.00 0.00 176.91 179.25 1dmo h MET 72 N 0.00 0.00 0.06 1.72 -1.53 0.34 -2.81 114.93 112.70 1dmo h MET 72 Ca -0.00 0.00 -0.23 0.00 -3.44 0.00 0.00 59.70 56.02 1dmo h MET 72 Cb 0.81 0.00 0.02 0.00 -0.55 0.00 0.00 31.60 31.88 1dmo h MET 72 CO 0.05 0.36 -0.94 0.00 0.14 0.00 0.00 176.91 176.52 1dmo h ALA 73 N 1.64 0.04 0.00 0.39 0.00 0.50 -1.34 119.26 120.48 1dmo h ALA 73 Ca -0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1dmo h ALA 73 Cb 1.20 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1dmo h ALA 73 CO 0.05 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.84 1dmo h ARG 74 N 0.11 0.00 0.14 0.00 -0.00 -1.53 0.63 114.38 113.73 1dmo h ARG 74 Ca -0.13 0.00 -0.35 0.00 -0.50 0.00 0.00 59.98 59.00 1dmo h ARG 74 Cb 1.64 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.60 1dmo h ARG 74 CO 0.18 0.00 -1.83 -0.22 0.00 0.00 0.00 179.97 178.10 1dmo h LYS 75 N 0.00 0.30 0.00 0.04 1.63 -1.46 -3.36 116.57 113.72 1dmo h LYS 75 Ca 0.00 -0.51 0.00 0.00 -0.85 0.00 0.00 60.65 59.29 1dmo h LYS 75 Cb 0.59 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.41 1dmo h LYS 75 CO 0.00 1.25 -0.81 -1.33 -3.45 0.00 0.00 179.45 175.10 1dmo n MET 76 N -3.60 0.26 -3.59 1.90 2.81 -0.51 -4.97 117.12 109.41 1dmo n MET 76 Ca -0.29 0.03 -0.25 0.00 -1.81 0.00 0.00 57.70 55.38 1dmo n MET 76 Cb 1.03 -1.62 0.05 0.00 -0.71 0.00 0.00 33.22 31.97 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 -1.97 -2.35 0.00 0.03 3.00 0.22 -4.64 118.16 112.45 1dmo n LYS 77 Ca 0.03 0.59 0.00 0.00 -0.00 0.00 0.00 58.31 58.93 1dmo n LYS 77 Cb 0.43 -4.79 0.00 0.00 0.00 0.00 0.00 35.03 30.67 1dmo n LYS 77 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1dmo n ASP 78 N -2.90 -0.89 -4.20 3.14 8.00 -1.21 -4.61 116.55 113.88 1dmo n ASP 78 Ca -0.14 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.01 1dmo n ASP 78 Cb 0.62 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.79 1dmo n ASP 78 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1dmo n THR 79 N 0.00 0.12 -3.31 -3.53 5.66 -1.26 -4.89 114.28 107.07 1dmo n THR 79 Ca 0.00 -0.37 -0.35 0.00 -3.05 0.00 0.00 64.05 60.28 1dmo n THR 79 Cb 0.00 -0.29 -0.04 0.00 -1.55 0.00 0.00 70.33 68.45 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 1.36 4.88 0.00 1.09 2.03 -1.26 -4.56 116.55 120.08 1dmo n ASP 80 Ca 0.03 -3.37 0.00 0.00 0.52 0.00 0.00 54.79 51.96 1dmo n ASP 80 Cb 0.54 -0.98 0.00 0.00 -0.72 0.00 0.00 41.12 39.97 1dmo n ASP 80 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1dmo n SER 81 N 1.32 0.00 0.19 1.67 7.64 -1.26 -4.91 113.62 118.27 1dmo n SER 81 Ca 0.27 0.00 0.08 0.00 1.01 0.00 0.00 58.87 60.23 1dmo n SER 81 Cb 0.37 0.07 0.44 0.00 -1.01 0.00 0.00 64.21 64.08 1dmo n SER 81 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1dmo h GLU 82 N 0.00 0.00 0.02 1.43 5.08 -1.90 -2.59 114.58 116.62 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 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1dmo h GLU 82 CO 0.00 0.00 -0.01 0.93 -1.00 0.00 0.00 179.01 178.93 1dmo h GLU 83 N 0.00 -0.02 -1.16 2.33 5.08 -1.91 -1.99 114.58 116.91 1dmo h GLU 83 Ca 0.00 0.00 0.36 0.00 -1.00 0.00 0.00 59.36 58.72 1dmo h GLU 83 Cb 0.55 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.69 1dmo h GLU 83 CO 0.00 -0.02 0.73 1.49 -1.00 0.00 0.00 179.01 180.22 1dmo h GLU 84 N -0.10 0.22 0.20 2.33 4.57 -1.86 0.12 114.58 120.06 1dmo h GLU 84 Ca -0.00 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1dmo h GLU 84 Cb 0.02 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1dmo h GLU 84 CO 0.00 0.15 -0.10 0.82 -1.18 0.00 0.00 179.01 178.70 1dmo h ILE 85 N 0.23 0.89 -0.89 2.32 2.04 -1.59 -2.66 117.51 117.84 1dmo h ILE 85 Ca 0.73 -0.76 0.17 0.00 1.00 0.00 0.00 64.86 66.00 1dmo h ILE 85 Cb 2.05 1.32 -0.16 0.00 -0.74 0.00 0.00 36.82 39.29 1dmo h ILE 85 CO -0.42 0.16 -0.26 -0.09 0.00 0.00 0.00 178.15 177.54 1dmo h ARG 86 N -0.66 -0.01 -0.67 2.37 2.43 0.03 0.63 114.38 118.49 1dmo h ARG 86 Ca -0.03 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1dmo h ARG 86 Cb 0.47 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 1dmo h ARG 86 CO 0.04 -0.01 0.41 0.93 -1.51 0.00 0.00 179.97 179.84 1dmo h GLU 87 N -0.01 0.90 -1.14 0.20 3.07 -1.47 -1.53 114.58 114.59 1dmo h GLU 87 Ca 0.40 -0.07 0.35 0.00 -0.50 0.00 0.00 59.36 59.54 1dmo h GLU 87 Cb 0.64 -0.19 -0.12 0.00 -0.84 0.00 0.00 28.75 28.23 1dmo h GLU 87 CO -0.92 0.63 0.71 0.00 -1.40 0.00 0.00 179.01 178.04 1dmo h ALA 88 N 1.22 2.36 0.14 3.43 0.00 0.62 0.28 119.26 127.31 1dmo h ALA 88 Ca 0.24 0.12 -0.19 0.00 0.00 0.00 0.00 54.91 55.09 1dmo h ALA 88 Cb -0.05 0.14 0.02 0.00 0.00 0.00 0.00 17.79 17.90 1dmo h ALA 88 CO -0.05 -0.93 -0.83 0.74 0.00 0.00 0.00 179.25 178.19 1dmo h PHE 89 N 0.24 0.52 -0.82 0.00 0.04 -0.92 -3.27 116.94 112.73 1dmo h PHE 89 Ca 0.73 -0.38 0.24 0.00 2.80 0.00 0.00 57.97 61.36 1dmo h PHE 89 Cb 2.01 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 40.10 1dmo h PHE 89 CO -0.01 1.32 0.65 -0.09 -0.60 0.00 0.00 178.31 179.58 1dmo h ARG 90 N -0.39 0.00 -0.55 1.51 9.65 0.34 0.16 114.38 125.10 1dmo h ARG 90 Ca -0.15 0.00 0.16 0.00 -1.10 0.00 0.00 59.98 58.89 1dmo h ARG 90 Cb 1.63 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 30.19 1dmo h ARG 90 CO 0.14 0.00 0.42 0.28 2.80 0.00 0.00 179.97 183.61 1dmo h VAL 91 N 0.00 0.63 -0.32 0.20 2.07 -1.16 0.88 116.25 118.55 1dmo h VAL 91 Ca 0.39 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.91 1dmo h VAL 91 Cb 1.68 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1dmo h VAL 91 CO -0.00 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.08 1dmo n PHE 92 N -4.22 0.91 -0.55 1.57 3.01 0.55 -4.69 117.46 114.04 1dmo n PHE 92 Ca 0.10 -0.76 -0.02 0.00 1.01 0.00 0.00 57.45 57.78 1dmo n PHE 92 Cb 0.65 -0.25 -0.03 0.00 -0.01 0.00 0.00 39.48 39.84 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 -0.09 4.88 -0.21 4.37 2.03 0.30 -4.45 116.55 123.39 1dmo n ASP 93 Ca 0.19 -2.31 0.16 0.00 0.52 0.00 0.00 54.79 53.35 1dmo n ASP 93 Cb 0.79 -1.09 0.48 0.00 -0.72 0.00 0.00 41.12 40.59 1dmo n ASP 93 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1dmo h LYS 94 N 1.64 0.45 -0.06 -0.67 3.64 -1.84 -3.34 116.57 116.40 1dmo h LYS 94 Ca 0.03 -0.03 -0.23 0.00 -1.27 0.00 0.00 60.65 59.15 1dmo h LYS 94 Cb 1.01 -0.10 -0.15 0.00 -0.41 0.00 0.00 32.23 32.58 1dmo h LYS 94 CO 0.05 0.30 -0.51 -0.25 -2.27 0.00 0.00 179.45 176.77 1dmo n ASP 95 N -4.51 -2.76 -3.29 4.20 8.00 -1.26 -5.07 116.55 111.86 1dmo n ASP 95 Ca 0.17 -3.33 -0.09 0.00 0.71 0.00 0.00 54.79 52.25 1dmo n ASP 95 Cb 0.58 1.77 -0.05 0.00 -0.02 0.00 0.00 41.12 43.40 1dmo n ASP 95 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1dmo s GLY 96 N -1.65 -0.59 0.59 0.44 0.00 -1.25 -4.97 107.32 99.89 1dmo s GLY 96 Ca 0.31 -0.27 0.22 0.00 0.00 0.00 0.00 44.72 44.98 1dmo s GLY 96 CO -0.23 3.14 1.21 1.16 0.00 0.00 0.00 173.10 178.38 1dmo n ASN 97 N 4.57 0.00 -1.61 1.64 2.04 -1.26 -2.82 115.26 117.82 1dmo n ASN 97 Ca 0.09 0.70 -0.01 0.00 -0.44 0.00 0.00 54.58 54.92 1dmo n ASN 97 Cb 0.50 -0.22 0.03 0.00 -2.53 0.00 0.00 39.78 37.56 1dmo n ASN 97 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1dmo n GLY 98 N -1.66 -0.13 3.32 4.83 0.00 -1.26 -5.15 105.19 105.15 1dmo n GLY 98 Ca 0.19 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 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 0.03 -0.25 0.09 1.61 1.51 -1.13 -3.73 117.35 115.49 1dmo s TYR 99 Ca 0.02 0.16 0.02 0.00 -1.01 0.00 0.00 57.07 56.26 1dmo s TYR 99 Cb 0.11 0.23 -0.04 0.00 -0.11 0.00 0.00 41.96 42.14 1dmo s TYR 99 CO -0.03 -0.60 -0.07 0.96 -1.11 0.00 0.00 175.55 174.71 1dmo s ILE 100 N -2.73 0.68 0.22 2.71 -4.36 0.18 -4.37 121.20 113.52 1dmo s ILE 100 Ca -0.04 -1.86 -0.30 0.00 -0.26 0.00 0.00 60.65 58.20 1dmo s ILE 100 Cb -0.00 -1.58 -0.09 0.00 1.25 0.00 0.00 42.46 42.03 1dmo s ILE 100 CO -0.04 -0.83 1.30 -0.55 0.24 0.00 0.00 174.94 175.06 1dmo s SER 101 N -2.91 6.90 0.44 4.36 0.15 -1.26 -0.66 113.70 120.72 1dmo s SER 101 Ca 0.10 2.42 0.13 0.00 0.70 0.00 0.00 55.95 59.30 1dmo s SER 101 Cb 0.04 -2.61 1.03 0.00 -1.71 0.00 0.00 66.02 62.77 1dmo s SER 101 CO -0.04 -0.51 2.03 0.00 1.20 0.00 0.00 173.24 175.91 1dmo h ALA 102 N 5.10 1.95 0.51 5.45 0.00 -1.20 0.18 119.26 131.25 1dmo h ALA 102 Ca -0.45 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1dmo h ALA 102 Cb 1.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1dmo h ALA 102 CO 0.76 -0.04 -0.24 0.00 0.00 0.00 0.00 179.25 179.72 1dmo h ALA 103 N 1.75 -1.01 -0.91 0.00 0.00 -1.90 -0.20 119.26 116.99 1dmo h ALA 103 Ca 0.20 -0.15 0.21 0.00 0.00 0.00 0.00 54.91 55.17 1dmo h ALA 103 Cb 0.32 0.26 -0.12 0.00 0.00 0.00 0.00 17.79 18.26 1dmo h ALA 103 CO -0.05 -0.96 0.45 1.49 0.00 0.00 0.00 179.25 180.18 1dmo h GLU 104 N -0.79 0.48 -0.62 0.00 4.57 -1.89 0.30 114.58 116.63 1dmo h GLU 104 Ca -0.07 -0.03 0.06 0.00 -1.18 0.00 0.00 59.36 58.14 1dmo h GLU 104 Cb 0.52 -0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 28.95 1dmo h GLU 104 CO 0.11 0.32 0.33 1.25 -1.18 0.00 0.00 179.01 179.85 1dmo h LEU 105 N 0.50 0.49 -1.55 1.64 6.46 -0.77 0.26 115.31 122.34 1dmo h LEU 105 Ca 0.56 0.03 0.18 0.00 -0.12 0.00 0.00 57.88 58.53 1dmo h LEU 105 Cb 1.00 -0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 40.80 1dmo h LEU 105 CO -0.48 0.32 0.56 -0.09 -0.62 0.00 0.00 178.44 178.14 1dmo h ARG 106 N 0.63 0.39 0.00 1.25 2.43 0.15 0.65 114.38 119.88 1dmo h ARG 106 Ca 0.28 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.32 1dmo h ARG 106 Cb 0.17 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1dmo h ARG 106 CO -0.18 0.26 -0.50 1.25 -1.51 0.00 0.00 179.97 179.29 1dmo h HIS 107 N 0.40 0.00 -0.33 2.20 2.76 -0.72 -3.08 115.15 116.38 1dmo h HIS 107 Ca 0.43 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.51 1dmo h HIS 107 Cb 1.05 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.00 1dmo h HIS 107 CO -0.00 0.50 -0.19 0.28 -1.30 0.00 0.00 177.93 177.22 1dmo h VAL 108 N 0.00 1.26 0.00 5.26 2.07 0.12 -2.19 116.25 122.77 1dmo h VAL 108 Ca -0.01 -1.21 -0.08 0.00 0.82 0.00 0.00 66.70 66.22 1dmo h VAL 108 Cb 1.19 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1dmo h VAL 108 CO 0.07 0.40 -0.37 0.24 0.02 0.00 0.00 177.57 177.93 1dmo h MET 109 N 0.54 0.00 0.01 1.57 2.07 -1.35 -2.35 114.93 115.42 1dmo h MET 109 Ca 0.09 0.00 -0.20 0.00 -2.07 0.00 0.00 59.70 57.52 1dmo h MET 109 Cb 0.63 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.34 1dmo h MET 109 CO 0.04 0.37 -0.92 1.15 1.07 0.00 0.00 176.91 178.62 1dmo h THR 110 N 0.00 1.60 -0.02 2.22 2.02 -1.38 -3.10 112.91 114.26 1dmo h THR 110 Ca -0.00 -2.98 0.00 0.00 0.77 0.00 0.00 66.41 64.19 1dmo h THR 110 Cb 1.04 2.65 0.00 0.00 -1.74 0.00 0.00 68.15 70.10 1dmo h THR 110 CO 0.05 0.86 -0.16 -3.20 0.37 0.00 0.00 175.52 173.43 1dmo n ASN 111 N -3.52 1.70 0.00 4.18 5.15 -0.86 -4.43 115.26 117.48 1dmo n ASN 111 Ca -0.02 -1.40 0.00 0.00 -0.60 0.00 0.00 54.58 52.57 1dmo n ASN 111 Cb 0.86 0.12 0.00 0.00 -0.53 0.00 0.00 39.78 40.23 1dmo n ASN 111 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1dmo n LEU 112 N 0.08 1.94 0.00 1.20 7.94 -0.89 -4.92 117.00 122.35 1dmo n LEU 112 Ca 0.14 0.17 0.00 0.00 -1.11 0.00 0.00 56.01 55.21 1dmo n LEU 112 Cb 0.41 -0.17 0.00 0.00 0.53 0.00 0.00 43.42 44.19 1dmo n LEU 112 CO 0.21 -0.17 0.00 0.61 -1.11 0.00 0.00 177.39 176.93 1dmo n GLY 113 N 2.32 1.00 2.72 -3.96 0.00 -1.25 -4.99 105.19 101.03 1dmo n GLY 113 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1dmo n GLY 113 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1dmo n GLU 114 N 0.00 -1.62 0.00 1.61 2.13 -1.18 -4.74 120.64 116.84 1dmo n GLU 114 Ca 0.00 1.02 0.00 0.00 0.66 0.00 0.00 57.16 58.84 1dmo n GLU 114 Cb 0.18 -5.44 0.00 0.00 0.27 0.00 0.00 31.44 26.46 1dmo n GLU 114 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1dmo n LYS 115 N -1.38 0.00 -3.54 5.31 2.85 -1.26 -3.76 118.16 116.38 1dmo n LYS 115 Ca -0.15 0.04 -0.26 0.00 -1.05 0.00 0.00 58.31 56.89 1dmo n LYS 115 Cb 0.63 -1.50 -0.15 0.00 -0.65 0.00 0.00 35.03 33.36 1dmo n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1dmo s LEU 116 N -2.00 0.37 1.01 -5.58 1.43 -1.26 -5.11 118.68 107.54 1dmo s LEU 116 Ca 0.00 -1.02 -0.17 0.00 -1.03 0.00 0.00 54.13 51.91 1dmo s LEU 116 Cb 0.00 -0.18 -0.03 0.00 0.03 0.00 0.00 46.19 46.01 1dmo s LEU 116 CO 0.00 -0.41 -0.28 1.07 0.23 0.00 0.00 176.35 176.96 1dmo n THR 117 N 5.27 0.00 -0.03 5.49 5.66 -1.25 -4.35 114.28 125.07 1dmo n THR 117 Ca -0.06 -0.27 0.14 0.00 -3.05 0.00 0.00 64.05 60.81 1dmo n THR 117 Cb 0.44 -0.37 0.57 0.00 -1.55 0.00 0.00 70.33 69.43 1dmo n THR 117 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 1dmo h ASP 118 N -1.45 0.23 -0.23 1.09 3.58 -1.98 -0.94 116.42 116.71 1dmo h ASP 118 Ca -0.45 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 56.97 1dmo h ASP 118 Cb 1.32 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.32 1dmo h ASP 118 CO 0.30 0.14 0.03 -0.33 -2.88 0.00 0.00 179.24 176.50 1dmo h GLU 119 N 0.25 0.39 -0.48 0.28 4.39 -2.00 -0.25 114.58 117.16 1dmo h GLU 119 Ca 0.24 -0.11 -0.06 0.00 0.34 0.00 0.00 59.36 59.77 1dmo h GLU 119 Cb 0.63 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 1dmo h GLU 119 CO -0.05 0.53 0.05 0.93 -1.16 0.00 0.00 179.01 179.31 1dmo h GLU 120 N 0.19 0.82 0.00 2.33 4.39 -1.56 -2.32 114.58 118.43 1dmo h GLU 120 Ca 0.07 -0.24 -0.05 0.00 0.34 0.00 0.00 59.36 59.48 1dmo h GLU 120 Cb 0.33 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1dmo h GLU 120 CO 0.01 0.84 -0.26 0.28 -1.16 0.00 0.00 179.01 178.72 1dmo h VAL 121 N 0.68 1.02 0.17 3.13 2.07 -1.12 -2.07 116.25 120.13 1dmo h VAL 121 Ca 0.14 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1dmo h VAL 121 Cb 0.44 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1dmo h VAL 121 CO 0.02 0.25 -0.08 -0.78 0.02 0.00 0.00 177.57 177.00 1dmo h ASP 122 N 0.00 -0.19 -0.18 0.57 3.58 -0.64 0.12 116.42 119.69 1dmo h ASP 122 Ca -0.00 -0.33 0.03 0.00 0.42 0.00 0.00 57.03 57.14 1dmo h ASP 122 Cb 0.51 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 1dmo h ASP 122 CO 0.03 0.29 0.12 -0.33 -2.88 0.00 0.00 179.24 176.48 1dmo h GLU 123 N -0.75 0.11 0.01 0.28 5.08 -1.34 -1.28 114.58 116.69 1dmo h GLU 123 Ca -0.02 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1dmo h GLU 123 Cb 0.51 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1dmo h GLU 123 CO 0.04 0.07 -0.14 1.98 -1.00 0.00 0.00 179.01 179.96 1dmo h MET 124 N 0.11 0.07 -0.01 2.33 4.05 -1.30 -3.19 114.93 116.99 1dmo h MET 124 Ca 0.08 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1dmo h MET 124 Cb 0.17 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.00 1dmo h MET 124 CO -0.01 0.93 0.03 0.82 0.23 0.00 0.00 176.91 178.91 1dmo h ILE 125 N -0.74 0.20 -0.04 1.77 2.04 -0.36 0.10 117.51 120.48 1dmo h ILE 125 Ca -0.02 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.68 1dmo h ILE 125 Cb 0.99 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 1dmo h ILE 125 CO 0.03 0.00 -0.69 -0.09 0.00 0.00 0.00 178.15 177.39 1dmo h ARG 126 N 0.00 0.19 -0.60 2.37 2.43 -1.24 -3.05 114.38 114.48 1dmo h ARG 126 Ca 0.01 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1dmo h ARG 126 Cb 0.07 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1dmo h ARG 126 CO -0.00 0.81 0.00 -1.91 -1.51 0.00 0.00 179.97 177.36 1dmo n GLU 127 N -3.79 4.10 -0.00 0.20 4.07 -0.04 -4.48 120.64 120.69 1dmo n GLU 127 Ca -0.02 -2.98 0.00 0.00 -0.06 0.00 0.00 57.16 54.10 1dmo n GLU 127 Cb 0.68 -2.01 0.00 0.00 -0.06 0.00 0.00 31.44 30.05 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 0.87 2.15 -2.96 4.31 0.00 -0.85 -4.65 120.51 119.38 1dmo n ALA 128 Ca 0.26 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.52 1dmo n ALA 128 Cb 0.99 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 19.48 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 0.69 -5.33 -3.84 0.00 2.85 -1.26 -4.63 115.26 103.74 1dmo n ASN 129 Ca 0.00 -0.27 -0.30 0.00 -0.11 0.00 0.00 54.58 53.91 1dmo n ASN 129 Cb 0.32 -4.13 0.27 0.00 1.24 0.00 0.00 39.78 37.47 1dmo n ASN 129 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1dmo s ILE 130 N -3.09 1.52 0.00 -1.44 -1.09 -1.26 -4.99 121.20 110.84 1dmo s ILE 130 Ca 0.28 0.00 0.00 0.00 -2.23 0.00 0.00 60.65 58.70 1dmo s ILE 130 Cb -0.13 -2.18 0.00 0.00 -1.58 0.00 0.00 42.46 38.58 1dmo s ILE 130 CO 0.35 0.00 0.00 0.47 -1.23 0.00 0.00 174.94 174.53 1dmo n ASP 131 N -5.23 0.00 0.00 3.58 8.00 -1.26 -5.04 116.55 116.60 1dmo n ASP 131 Ca 0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1dmo n ASP 131 Cb 0.58 0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 1dmo n ASP 131 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dmo n GLY 132 N 0.61 0.00 0.08 0.44 0.00 -1.26 -4.99 105.19 100.08 1dmo n GLY 132 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 0.00 0.00 1.61 5.19 -2.01 -3.48 116.42 117.74 1dmo h ASP 133 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1dmo h ASP 133 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1dmo h ASP 133 CO 0.00 0.91 0.00 0.61 -3.12 0.00 0.00 179.24 177.64 1dmo n GLY 134 N 1.49 0.59 3.81 2.75 0.00 -1.26 -5.03 105.19 107.55 1dmo n GLY 134 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.92 2.73 -0.12 1.61 -1.52 -1.26 -0.72 119.66 119.45 1dmo s GLN 135 Ca 0.00 0.90 -0.08 0.00 -1.95 0.00 0.00 55.36 54.23 1dmo s GLN 135 Cb 0.00 -1.97 0.04 0.00 -0.22 0.00 0.00 33.01 30.86 1dmo s GLN 135 CO 0.00 -1.23 0.30 0.08 -0.25 0.00 0.00 175.29 174.19 1dmo s VAL 136 N -3.06 -0.02 -1.17 1.09 1.01 0.17 -4.70 120.40 113.72 1dmo s VAL 136 Ca 0.59 0.09 -0.23 0.00 0.00 0.00 0.00 61.98 62.42 1dmo s VAL 136 Cb -0.14 -0.45 -0.10 0.00 0.00 0.00 0.00 36.38 35.68 1dmo s VAL 136 CO 0.55 0.04 1.96 0.21 0.00 0.00 0.00 175.10 177.85 1dmo s ASN 137 N 0.94 4.85 0.63 3.32 2.47 -1.26 -0.65 114.94 125.25 1dmo s ASN 137 Ca -0.06 -1.57 0.16 0.00 0.42 0.00 0.00 52.86 51.80 1dmo s ASN 137 Cb -0.07 -2.59 0.62 0.00 -1.45 0.00 0.00 41.25 37.76 1dmo s ASN 137 CO -0.07 -3.27 1.26 0.10 -3.72 0.00 0.00 177.10 171.40 1dmo h TYR 138 N 9.96 0.00 0.16 0.43 -0.00 -1.88 -0.06 116.97 125.58 1dmo h TYR 138 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.91 1dmo h TYR 138 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.68 1dmo h TYR 138 CO 1.19 0.00 -0.08 0.93 -0.00 0.00 0.00 178.16 180.20 1dmo h GLU 139 N 0.00 -0.21 -0.49 0.10 5.08 -1.84 -2.22 114.58 115.00 1dmo h GLU 139 Ca 0.23 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.75 1dmo h GLU 139 Cb 2.26 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 31.53 1dmo h GLU 139 CO -0.00 -0.14 0.43 0.93 -1.00 0.00 0.00 179.01 179.23 1dmo h GLU 140 N -0.68 0.00 -0.30 2.33 5.08 -1.43 0.36 114.58 119.93 1dmo h GLU 140 Ca -0.02 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.19 1dmo h GLU 140 Cb 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1dmo h GLU 140 CO 0.04 0.00 -0.40 0.35 -1.00 0.00 0.00 179.01 178.00 1dmo h PHE 141 N 0.00 0.86 0.00 4.33 3.57 -1.27 0.17 116.94 124.60 1dmo h PHE 141 Ca 0.23 -0.25 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 1dmo h PHE 141 Cb 1.09 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 1dmo h PHE 141 CO 0.00 1.00 -0.32 0.28 -2.23 0.00 0.00 178.31 177.04 1dmo h VAL 142 N 0.59 1.21 0.00 1.41 2.07 0.36 -1.10 116.25 120.79 1dmo h VAL 142 Ca 0.05 -1.11 -0.27 0.00 0.82 0.00 0.00 66.70 66.19 1dmo h VAL 142 Cb 0.94 1.60 -0.05 0.00 -1.52 0.00 0.00 31.29 32.26 1dmo h VAL 142 CO 0.09 0.31 -1.67 1.67 0.02 0.00 0.00 177.57 177.99 1dmo n GLN 143 N -4.13 0.63 0.00 1.57 7.27 -0.99 -3.90 117.38 117.83 1dmo n GLN 143 Ca -0.02 0.28 0.14 0.00 0.07 0.00 0.00 57.00 57.47 1dmo n GLN 143 Cb 0.36 -1.79 0.55 0.00 2.41 0.00 0.00 30.24 31.78 1dmo n GLN 143 CO 0.00 0.00 0.00 -0.12 0.07 0.00 0.00 177.06 177.01 1dmo n MET 144 N -3.02 0.05 -0.01 3.69 1.56 0.58 -3.18 117.12 116.80 1dmo n MET 144 Ca -0.16 -0.01 0.11 0.00 -0.27 0.00 0.00 57.70 57.37 1dmo n MET 144 Cb 1.02 -1.50 0.62 0.00 2.15 0.00 0.00 33.22 35.51 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 -1.47 1.06 -3.09 2.12 2.81 -0.43 -4.30 117.12 113.82 1dmo n MET 145 Ca 0.07 -0.09 -0.08 0.00 -1.81 0.00 0.00 57.70 55.78 1dmo n MET 145 Cb 0.33 -1.35 -0.03 0.00 -0.71 0.00 0.00 33.22 31.47 1dmo n MET 145 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1dmo s THR 146 N -1.99 -0.68 0.00 2.03 2.01 -1.19 -5.10 115.64 110.72 1dmo s THR 146 Ca 0.33 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 61.35 1dmo s THR 146 Cb 0.15 -0.31 0.00 0.00 0.01 0.00 0.00 72.50 72.36 1dmo s THR 146 CO 0.25 -0.29 0.00 0.00 -0.69 0.00 0.00 174.62 173.89 1dmo n ALA 147 N 3.56 0.00 1.67 7.40 0.00 -1.26 -4.99 120.51 126.89 1dmo n ALA 147 Ca 0.17 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.75 1dmo n ALA 147 Cb 0.53 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.65 1dmo n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67