#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dmo n ASP 2 N 0.00 0.00 -2.14 0.00 8.00 -1.26 -4.79 116.55 116.35 1dmo n ASP 2 Ca 0.00 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.19 1dmo n ASP 2 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 1dmo n ASP 2 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1dmo n GLN 3 N 0.00 0.00 -2.62 -1.24 -0.06 -1.26 -4.77 117.38 107.43 1dmo n GLN 3 Ca 0.00 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.57 1dmo n GLN 3 Cb 0.00 -0.70 0.00 0.00 -4.06 0.00 0.00 30.24 25.48 1dmo n GLN 3 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1dmo n LEU 4 N 2.41 5.89 -4.89 1.69 4.77 -1.26 -4.83 117.00 120.78 1dmo n LEU 4 Ca 0.18 -4.51 -0.29 0.00 -0.03 0.00 0.00 56.01 51.37 1dmo n LEU 4 Cb -0.02 -1.57 0.00 0.00 -2.33 0.00 0.00 43.42 39.50 1dmo n LEU 4 CO 0.42 1.00 0.52 0.42 -1.33 0.00 0.00 177.39 178.42 1dmo s THR 5 N 1.23 4.84 0.30 -5.08 -4.23 -1.26 -4.81 115.64 106.63 1dmo s THR 5 Ca 0.42 0.42 0.02 0.00 -1.18 0.00 0.00 61.69 61.38 1dmo s THR 5 Cb 0.04 -3.86 0.36 0.00 1.34 0.00 0.00 72.50 70.37 1dmo s THR 5 CO 0.00 -0.91 1.61 -0.33 -0.54 0.00 0.00 174.62 174.45 1dmo h GLU 6 N 0.14 0.09 -0.55 3.99 5.08 -1.99 1.28 114.58 122.60 1dmo h GLU 6 Ca -0.46 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1dmo h GLU 6 Cb 1.20 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 1dmo h GLU 6 CO 0.62 0.06 0.34 0.93 -1.00 0.00 0.00 179.01 179.95 1dmo h GLU 7 N 0.09 0.75 -0.57 2.33 4.39 -1.98 0.42 114.58 120.01 1dmo h GLU 7 Ca 0.58 -0.06 0.10 0.00 0.34 0.00 0.00 59.36 60.32 1dmo h GLU 7 Cb 1.22 -0.16 -0.08 0.00 -0.10 0.00 0.00 28.75 29.63 1dmo h GLU 7 CO -0.79 0.53 0.11 0.37 -1.16 0.00 0.00 179.01 178.08 1dmo h GLN 8 N 0.75 0.24 -0.32 2.33 5.75 0.12 0.47 115.11 124.45 1dmo h GLN 8 Ca 0.20 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.65 1dmo h GLN 8 Cb -0.03 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.45 1dmo h GLN 8 CO -0.04 0.16 0.06 0.82 -2.65 0.00 0.00 178.83 177.18 1dmo h ILE 9 N 0.25 1.16 -0.69 2.39 2.04 -0.21 -0.45 117.51 122.00 1dmo h ILE 9 Ca 0.29 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 1dmo h ILE 9 Cb 0.42 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1dmo h ILE 9 CO -0.38 0.21 0.37 0.00 0.00 0.00 0.00 178.15 178.35 1dmo h ALA 10 N 1.61 0.88 -0.35 1.87 0.00 0.20 -0.86 119.26 122.61 1dmo h ALA 10 Ca 0.11 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1dmo h ALA 10 Cb 0.22 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1dmo h ALA 10 CO -0.00 0.41 -0.03 1.49 0.00 0.00 0.00 179.25 181.12 1dmo h GLU 11 N 0.95 0.63 -0.60 0.00 4.81 -0.12 -1.91 114.58 118.33 1dmo h GLU 11 Ca 0.24 -0.21 0.11 0.00 -0.13 0.00 0.00 59.36 59.37 1dmo h GLU 11 Cb 0.05 -0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.29 1dmo h GLU 11 CO -0.04 0.77 0.12 0.74 -0.73 0.00 0.00 179.01 179.87 1dmo h PHE 12 N 0.43 0.19 -0.30 0.92 -1.00 -0.59 0.53 116.94 117.12 1dmo h PHE 12 Ca 0.10 0.04 -0.02 0.00 2.81 0.00 0.00 57.97 60.89 1dmo h PHE 12 Cb 0.50 0.01 -0.02 0.00 3.61 0.00 0.00 35.95 40.05 1dmo h PHE 12 CO 0.04 -0.04 0.10 -0.22 -1.61 0.00 0.00 178.31 176.59 1dmo h LYS 13 N 0.25 0.42 0.03 1.51 3.64 -0.89 0.11 116.57 121.64 1dmo h LYS 13 Ca 0.32 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.66 1dmo h LYS 13 Cb 0.48 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1dmo h LYS 13 CO -0.41 0.37 -0.09 1.49 -2.27 0.00 0.00 179.45 178.54 1dmo h GLU 14 N 0.42 -0.16 -0.50 1.90 4.81 0.82 0.53 114.58 122.41 1dmo h GLU 14 Ca 0.11 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.26 1dmo h GLU 14 Cb 0.12 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1dmo h GLU 14 CO -0.01 -0.11 -0.03 0.00 -0.73 0.00 0.00 179.01 178.13 1dmo h ALA 15 N 0.79 0.68 0.00 2.92 0.00 -0.74 -0.06 119.26 122.85 1dmo h ALA 15 Ca 0.03 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1dmo h ALA 15 Cb 0.19 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1dmo h ALA 15 CO -0.07 0.52 -0.01 0.35 0.00 0.00 0.00 179.25 180.03 1dmo h PHE 16 N 0.76 0.00 0.15 0.00 3.57 -0.23 -2.36 116.94 118.83 1dmo h PHE 16 Ca 0.14 0.00 -0.35 0.00 3.53 0.00 0.00 57.97 61.29 1dmo h PHE 16 Cb 0.56 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.30 1dmo h PHE 16 CO 0.04 0.01 -1.82 1.03 -2.23 0.00 0.00 178.31 175.35 1dmo h SER 17 N 0.00 0.49 -0.84 0.41 0.87 0.80 -3.22 113.55 112.05 1dmo h SER 17 Ca -0.00 -0.93 0.15 0.00 -1.23 0.00 0.00 61.79 59.78 1dmo h SER 17 Cb 0.04 -0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 61.78 1dmo h SER 17 CO 0.00 1.80 0.55 -0.07 -0.53 0.00 0.00 176.83 178.58 1dmo h LEU 18 N 0.02 0.53 -3.77 2.23 3.38 -0.52 0.11 115.31 117.29 1dmo h LEU 18 Ca -0.38 0.03 -0.36 0.00 0.09 0.00 0.00 57.88 57.27 1dmo h LEU 18 Cb 2.01 -0.07 -0.21 0.00 0.09 0.00 0.00 40.66 42.48 1dmo h LEU 18 CO 0.11 0.26 0.38 0.49 0.09 0.00 0.00 178.44 179.78 1dmo n PHE 19 N -4.53 2.41 0.00 1.13 3.72 -1.01 -4.87 117.46 114.32 1dmo n PHE 19 Ca 0.16 -1.62 0.00 0.00 -0.05 0.00 0.00 57.45 55.94 1dmo n PHE 19 Cb 0.52 -0.77 0.00 0.00 -0.94 0.00 0.00 39.48 38.29 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 -0.91 0.00 0.00 4.37 -0.08 0.39 -4.66 116.55 115.66 1dmo n ASP 20 Ca 0.48 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.76 1dmo n ASP 20 Cb 1.44 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.90 1dmo n ASP 20 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1dmo n LYS 21 N 0.00 0.00 0.00 -0.67 4.81 -1.26 -4.78 118.16 116.26 1dmo n LYS 21 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1dmo n LYS 21 Cb 0.00 -1.62 0.00 0.00 0.02 0.00 0.00 35.03 33.43 1dmo n LYS 21 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1dmo n ASP 22 N 0.00 0.00 0.00 3.14 -0.08 -1.24 -5.02 116.55 113.34 1dmo n ASP 22 Ca 0.00 0.62 0.00 0.00 -1.51 0.00 0.00 54.79 53.90 1dmo n ASP 22 Cb 0.00 -0.32 0.00 0.00 2.34 0.00 0.00 41.12 43.14 1dmo n ASP 22 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1dmo n GLY 23 N 0.37 0.77 0.59 0.27 0.00 -1.26 -4.92 105.19 101.01 1dmo n GLY 23 Ca 0.00 0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.17 1dmo n GLY 23 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1dmo n ASP 24 N 0.00 1.75 -0.31 1.61 2.03 -1.26 -4.89 116.55 115.48 1dmo n ASP 24 Ca 0.00 -1.83 0.00 0.00 0.52 0.00 0.00 54.79 53.48 1dmo n ASP 24 Cb 0.00 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.24 1dmo n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1dmo n GLY 25 N 1.10 0.82 3.50 0.27 0.00 -1.26 -5.07 105.19 104.55 1dmo n GLY 25 Ca 0.14 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 1dmo n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dmo s THR 26 N -2.21 0.02 0.28 2.61 -4.23 -1.26 -4.11 115.64 106.74 1dmo s THR 26 Ca 0.00 -1.35 0.09 0.00 -1.18 0.00 0.00 61.69 59.25 1dmo s THR 26 Cb 0.00 -2.04 -0.06 0.00 1.34 0.00 0.00 72.50 71.74 1dmo s THR 26 CO 0.00 -0.09 -0.12 0.27 -0.54 0.00 0.00 174.62 174.14 1dmo s ILE 27 N -3.99 2.01 -0.00 2.99 -4.36 -0.09 -3.72 121.20 114.04 1dmo s ILE 27 Ca 0.20 -2.23 -0.13 0.00 -0.26 0.00 0.00 60.65 58.24 1dmo s ILE 27 Cb 0.01 -2.40 -0.05 0.00 1.25 0.00 0.00 42.46 41.27 1dmo s ILE 27 CO 0.05 -0.35 0.37 0.42 0.24 0.00 0.00 174.94 175.67 1dmo s THR 28 N -2.78 5.11 0.50 8.37 -4.23 -1.26 0.95 115.64 122.30 1dmo s THR 28 Ca 0.29 0.67 0.41 0.00 -1.18 0.00 0.00 61.69 61.88 1dmo s THR 28 Cb 0.01 -3.65 0.62 0.00 1.34 0.00 0.00 72.50 70.81 1dmo s THR 28 CO 0.13 0.52 1.60 0.71 -0.54 0.00 0.00 174.62 177.05 1dmo h THR 29 N 3.56 0.06 0.11 3.99 1.35 -1.91 0.68 112.91 120.75 1dmo h THR 29 Ca -0.52 -0.01 -0.01 0.00 -0.55 0.00 0.00 66.41 65.33 1dmo h THR 29 Cb 1.22 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1dmo h THR 29 CO 0.62 0.00 -0.05 0.50 -0.25 0.00 0.00 175.52 176.34 1dmo h LYS 30 N 0.02 -0.14 0.00 4.72 3.64 -1.92 -2.76 116.57 120.14 1dmo h LYS 30 Ca 0.87 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 60.26 1dmo h LYS 30 Cb 3.19 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 35.04 1dmo h LYS 30 CO -0.20 0.34 0.00 0.39 -2.27 0.00 0.00 179.45 177.71 1dmo n GLU 31 N -4.90 0.01 0.17 1.90 1.02 0.21 -3.06 120.64 116.00 1dmo n GLU 31 Ca -0.08 0.39 -0.10 0.00 -0.02 0.00 0.00 57.16 57.35 1dmo n GLU 31 Cb 0.28 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.14 1dmo n GLU 31 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1dmo h LEU 32 N 0.00 -0.78 -1.32 -4.62 5.85 -0.57 -1.20 115.31 112.67 1dmo h LEU 32 Ca 0.00 0.06 0.46 0.00 0.84 0.00 0.00 57.88 59.24 1dmo h LEU 32 Cb 0.07 0.25 -0.14 0.00 0.37 0.00 0.00 40.66 41.21 1dmo h LEU 32 CO 0.00 -0.38 0.82 1.23 -0.34 0.00 0.00 178.44 179.77 1dmo h GLY 33 N -0.57 1.52 0.74 3.75 0.00 -1.69 1.02 103.07 107.84 1dmo h GLY 33 Ca -0.04 -0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.12 1dmo h GLY 33 CO -0.03 -0.52 -0.14 -0.84 0.00 0.00 0.00 176.54 175.00 1dmo h THR 34 N 0.03 1.35 0.05 4.70 2.02 -1.55 -1.95 112.91 117.56 1dmo h THR 34 Ca 0.86 -1.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.74 1dmo h THR 34 Cb 2.68 1.88 0.00 0.00 -1.74 0.00 0.00 68.15 70.97 1dmo h THR 34 CO -0.51 0.38 -0.02 0.58 0.37 0.00 0.00 175.52 176.32 1dmo h VAL 35 N -0.02 1.01 -0.78 3.16 2.07 0.21 -1.53 116.25 120.37 1dmo h VAL 35 Ca 0.02 -0.19 0.08 0.00 0.82 0.00 0.00 66.70 67.43 1dmo h VAL 35 Cb 0.67 1.13 -0.07 0.00 -1.52 0.00 0.00 31.29 31.51 1dmo h VAL 35 CO 0.04 0.05 0.45 0.24 0.02 0.00 0.00 177.57 178.36 1dmo h MET 36 N -0.15 0.76 0.00 1.57 2.86 -0.99 0.93 114.93 119.91 1dmo h MET 36 Ca -0.01 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1dmo h MET 36 Cb 0.13 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1dmo h MET 36 CO 0.01 0.50 0.00 -0.09 1.06 0.00 0.00 176.91 178.39 1dmo h ARG 37 N 0.78 0.00 0.00 1.72 2.43 -1.10 -2.60 114.38 115.61 1dmo h ARG 37 Ca 0.37 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.44 1dmo h ARG 37 Cb 0.29 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 1dmo h ARG 37 CO -0.22 0.00 -0.81 1.03 -1.51 0.00 0.00 179.97 178.47 1dmo h SER 38 N 0.00 0.00 0.57 -3.80 0.87 0.19 -3.37 113.55 108.01 1dmo h SER 38 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 1dmo h SER 38 Cb 0.48 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1dmo h SER 38 CO 0.00 0.38 -0.27 -0.07 -0.53 0.00 0.00 176.83 176.34 1dmo h LEU 39 N 0.00 -0.65 0.00 2.23 4.07 -0.88 -3.47 115.31 116.61 1dmo h LEU 39 Ca -0.05 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1dmo h LEU 39 Cb 1.34 0.17 0.00 0.00 1.08 0.00 0.00 40.66 43.25 1dmo h LEU 39 CO 0.04 -0.39 0.00 0.61 -1.08 0.00 0.00 178.44 177.62 1dmo n GLY 40 N -0.81 0.00 0.00 0.83 0.00 -1.24 -5.08 105.19 98.89 1dmo n GLY 40 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1dmo n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1dmo n GLN 41 N 0.00 0.73 -2.97 1.61 1.13 -1.25 -5.07 117.38 111.56 1dmo n GLN 41 Ca 0.00 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.95 1dmo n GLN 41 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.32 1dmo n GLN 41 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1dmo s ASN 42 N -1.00 -0.53 1.04 1.08 2.47 -1.26 -4.51 114.94 112.23 1dmo s ASN 42 Ca 0.00 -2.16 -0.03 0.00 0.42 0.00 0.00 52.86 51.09 1dmo s ASN 42 Cb 0.00 1.15 0.05 0.00 -1.45 0.00 0.00 41.25 41.00 1dmo s ASN 42 CO 0.00 -0.09 0.15 -0.81 -3.72 0.00 0.00 177.10 172.63 1dmo n PRO 43 N 2.92 -1.51 -4.12 0.43 -0.05 -1.26 -5.08 135.00 126.33 1dmo n PRO 43 Ca 0.22 -0.24 -0.15 0.00 -0.05 0.00 0.00 63.50 63.28 1dmo n PRO 43 Cb 0.53 -0.24 -0.13 0.00 -0.05 0.00 0.00 33.50 33.62 1dmo n PRO 43 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 175.50 176.44 1dmo s THR 44 N -1.26 0.51 0.51 0.52 2.01 -1.26 -4.98 115.64 111.68 1dmo s THR 44 Ca 0.10 -0.69 0.41 0.00 0.31 0.00 0.00 61.69 61.82 1dmo s THR 44 Cb -0.01 -0.51 0.62 0.00 0.01 0.00 0.00 72.50 72.61 1dmo s THR 44 CO 0.08 -0.14 1.62 -0.33 -0.69 0.00 0.00 174.62 175.16 1dmo h GLU 45 N 5.20 0.03 0.00 4.92 5.08 -1.98 0.40 114.58 128.24 1dmo h GLU 45 Ca -0.32 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1dmo h GLU 45 Cb 1.20 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1dmo h GLU 45 CO 0.45 0.02 0.00 0.00 -1.00 0.00 0.00 179.01 178.48 1dmo n ALA 46 N -2.74 -0.12 -0.26 3.43 0.00 -1.26 -2.45 120.51 117.12 1dmo n ALA 46 Ca 0.40 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.90 1dmo n ALA 46 Cb 1.70 0.00 0.19 0.00 0.00 0.00 0.00 19.45 21.34 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 0.18 -0.72 0.00 4.57 -1.81 0.62 114.58 117.42 1dmo h GLU 47 Ca 0.00 -0.01 0.16 0.00 -1.18 0.00 0.00 59.36 58.32 1dmo h GLU 47 Cb 0.00 -0.04 -0.13 0.00 -0.16 0.00 0.00 28.75 28.42 1dmo h GLU 47 CO 0.00 0.12 -0.06 1.25 -1.18 0.00 0.00 179.01 179.14 1dmo h LEU 48 N 0.19 -0.44 -1.52 1.64 5.85 -0.34 1.19 115.31 121.89 1dmo h LEU 48 Ca 0.44 0.19 -0.05 0.00 0.84 0.00 0.00 57.88 59.30 1dmo h LEU 48 Cb 0.79 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1dmo h LEU 48 CO -0.60 -0.19 -0.25 -0.61 -0.34 0.00 0.00 178.44 176.45 1dmo h GLN 49 N 0.07 0.00 -0.52 1.25 5.75 0.51 -2.49 115.11 119.67 1dmo h GLN 49 Ca 0.37 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.83 1dmo h GLN 49 Cb 0.63 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.16 1dmo h GLN 49 CO -0.66 0.25 0.15 0.22 -2.65 0.00 0.00 178.83 176.14 1dmo h ASP 50 N 0.00 0.77 -0.16 -0.69 1.82 0.29 -0.54 116.42 117.91 1dmo h ASP 50 Ca -0.00 -0.21 -0.02 0.00 -0.39 0.00 0.00 57.03 56.40 1dmo h ASP 50 Cb 0.48 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.28 1dmo h ASP 50 CO 0.03 0.78 0.02 0.24 -1.61 0.00 0.00 179.24 178.71 1dmo h MET 51 N 0.72 0.26 -0.38 0.28 2.86 -0.75 -3.00 114.93 114.92 1dmo h MET 51 Ca 0.17 -0.07 0.04 0.00 -2.06 0.00 0.00 59.70 57.77 1dmo h MET 51 Cb 0.29 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 1dmo h MET 51 CO -0.00 0.45 0.16 0.82 1.06 0.00 0.00 176.91 179.39 1dmo h ILE 52 N 0.04 0.92 -1.18 -1.22 2.04 -1.33 -0.18 117.51 116.60 1dmo h ILE 52 Ca 0.05 -0.11 0.34 0.00 1.00 0.00 0.00 64.86 66.13 1dmo h ILE 52 Cb 0.32 0.57 -0.09 0.00 -0.74 0.00 0.00 36.82 36.87 1dmo h ILE 52 CO 0.00 0.06 0.78 0.78 0.00 0.00 0.00 178.15 179.78 1dmo h ASN 53 N 0.33 0.28 0.55 1.72 2.35 -0.96 -0.28 115.58 119.57 1dmo h ASN 53 Ca 0.17 0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.97 1dmo h ASN 53 Cb 0.12 0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.54 1dmo h ASN 53 CO -0.15 -0.01 -0.26 -0.08 -1.65 0.00 0.00 177.43 175.28 1dmo h GLU 54 N 0.22 -0.71 0.00 0.81 4.22 -0.93 -3.42 114.58 114.77 1dmo h GLU 54 Ca 0.66 0.05 0.00 0.00 0.08 0.00 0.00 59.36 60.15 1dmo h GLU 54 Cb 2.03 0.16 0.00 0.00 0.50 0.00 0.00 28.75 31.44 1dmo h GLU 54 CO -0.26 -0.41 0.00 1.33 -2.18 0.00 0.00 179.01 177.49 1dmo n VAL 55 N -5.28 0.00 -3.11 0.32 0.24 -0.15 -4.95 118.33 105.40 1dmo n VAL 55 Ca -0.10 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.16 1dmo n VAL 55 Cb 0.32 -0.35 0.02 0.00 -1.47 0.00 0.00 33.84 32.36 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 -7.50 -0.36 -1.34 2.03 -1.02 -4.74 116.55 103.63 1dmo n ASP 56 Ca 0.00 -0.24 0.35 0.00 0.52 0.00 0.00 54.79 55.42 1dmo n ASP 56 Cb 0.00 -5.28 0.53 0.00 -0.72 0.00 0.00 41.12 35.65 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 -2.15 1.23 -0.47 -1.67 0.00 -1.26 -4.59 120.51 111.60 1dmo n ALA 57 Ca -0.02 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1dmo n ALA 57 Cb 0.53 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1dmo n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1dmo n ASP 58 N -3.38 -2.55 -0.00 0.00 5.68 -1.26 -4.45 116.55 110.58 1dmo n ASP 58 Ca 0.29 0.00 0.02 0.00 -0.50 0.00 0.00 54.79 54.60 1dmo n ASP 58 Cb 1.63 -1.90 -0.03 0.00 -1.14 0.00 0.00 41.12 39.67 1dmo n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dmo n GLY 59 N 0.34 -0.01 0.00 6.12 0.00 -1.26 -4.78 105.19 105.60 1dmo n GLY 59 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.52 0.00 -0.14 1.61 3.02 -1.26 -5.02 115.26 111.94 1dmo n ASN 60 Ca -0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.53 1dmo n ASN 60 Cb 0.11 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.27 1dmo n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dmo n GLY 61 N 0.21 0.53 3.01 7.41 0.00 -1.26 -5.03 105.19 110.06 1dmo n GLY 61 Ca 0.00 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.06 0.40 -0.13 2.61 -4.23 -1.26 -4.08 115.64 106.89 1dmo s THR 62 Ca 0.00 -0.73 -0.14 0.00 -1.18 0.00 0.00 61.69 59.65 1dmo s THR 62 Cb 0.00 -0.44 -0.05 0.00 1.34 0.00 0.00 72.50 73.36 1dmo s THR 62 CO 0.00 -0.23 0.31 -0.63 -0.54 0.00 0.00 174.62 173.53 1dmo s ILE 63 N -0.92 5.27 0.63 2.99 1.01 0.27 -4.67 121.20 125.78 1dmo s ILE 63 Ca -0.07 0.59 -0.05 0.00 0.00 0.00 0.00 60.65 61.12 1dmo s ILE 63 Cb -0.07 -3.63 0.03 0.00 0.01 0.00 0.00 42.46 38.80 1dmo s ILE 63 CO -0.00 0.44 0.92 -1.81 0.00 0.00 0.00 174.94 174.49 1dmo s ASP 64 N 0.05 5.23 0.19 3.58 1.11 -1.26 -0.91 116.67 124.65 1dmo s ASP 64 Ca 0.18 0.48 -0.11 0.00 0.18 0.00 0.00 52.55 53.28 1dmo s ASP 64 Cb -0.14 -1.33 0.17 0.00 1.07 0.00 0.00 42.92 42.70 1dmo s ASP 64 CO 0.06 -1.29 1.81 0.15 1.18 0.00 0.00 175.17 177.08 1dmo h PHE 65 N -0.30 0.63 -0.18 4.23 3.57 -1.97 -1.55 116.94 121.36 1dmo h PHE 65 Ca -0.45 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.11 1dmo h PHE 65 Cb 1.29 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.80 1dmo h PHE 65 CO 0.40 0.32 -0.02 -1.35 -2.23 0.00 0.00 178.31 175.43 1dmo h PRO 66 N 0.65 0.03 -0.82 6.41 0.10 -1.94 -1.85 132.00 134.58 1dmo h PRO 66 Ca 0.26 -0.00 0.01 0.00 0.10 0.00 0.00 66.00 66.36 1dmo h PRO 66 Cb 0.11 -0.01 -0.04 0.00 0.10 0.00 0.00 31.00 31.16 1dmo h PRO 66 CO -0.14 0.02 0.54 0.93 0.10 0.00 0.00 178.00 179.44 1dmo h GLU 67 N 0.03 1.07 -0.78 1.05 4.39 -1.90 -0.84 114.58 117.60 1dmo h GLU 67 Ca 0.09 -0.06 0.16 0.00 0.34 0.00 0.00 59.36 59.88 1dmo h GLU 67 Cb 0.12 -0.24 -0.05 0.00 -0.10 0.00 0.00 28.75 28.48 1dmo h GLU 67 CO -0.17 0.71 0.52 0.35 -1.16 0.00 0.00 179.01 179.26 1dmo h PHE 68 N 1.10 0.49 0.23 4.33 3.04 -0.50 -0.98 116.94 124.65 1dmo h PHE 68 Ca 0.30 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.25 1dmo h PHE 68 Cb -0.12 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 38.24 1dmo h PHE 68 CO -0.02 0.18 -0.11 -0.07 -2.02 0.00 0.00 178.31 176.27 1dmo h LEU 69 N 0.41 -0.27 -0.82 0.59 3.38 -0.54 -1.74 115.31 116.33 1dmo h LEU 69 Ca 0.39 -0.19 0.18 0.00 0.09 0.00 0.00 57.88 58.35 1dmo h LEU 69 Cb 0.90 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.61 1dmo h LEU 69 CO -0.13 0.06 0.29 0.74 0.09 0.00 0.00 178.44 179.49 1dmo h THR 70 N -0.61 0.51 -0.05 0.22 2.02 -0.91 0.67 112.91 114.76 1dmo h THR 70 Ca -0.03 -0.12 -0.07 0.00 0.77 0.00 0.00 66.41 66.95 1dmo h THR 70 Cb 0.44 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 1dmo h THR 70 CO 0.05 0.06 -0.30 0.24 0.37 0.00 0.00 175.52 175.95 1dmo h MET 71 N 0.36 0.09 0.00 6.66 2.86 -1.11 -2.37 114.93 121.42 1dmo h MET 71 Ca 0.48 -0.03 -0.18 0.00 -2.06 0.00 0.00 59.70 57.91 1dmo h MET 71 Cb 0.85 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.48 1dmo h MET 71 CO -0.51 0.39 -0.87 0.52 1.06 0.00 0.00 176.91 177.50 1dmo h MET 72 N 0.08 0.00 0.00 1.72 2.07 0.11 -3.15 114.93 115.77 1dmo h MET 72 Ca 0.01 -0.00 -0.10 0.00 -2.07 0.00 0.00 59.70 57.54 1dmo h MET 72 Cb 0.57 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.29 1dmo h MET 72 CO 0.04 0.87 -0.49 0.00 1.07 0.00 0.00 176.91 178.40 1dmo h ALA 73 N 1.13 1.13 -0.50 6.32 0.00 0.09 0.02 119.26 127.45 1dmo h ALA 73 Ca -0.01 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.34 1dmo h ALA 73 Cb 1.54 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1dmo h ALA 73 CO 0.11 0.61 -0.15 0.00 0.00 0.00 0.00 179.25 179.82 1dmo h ARG 74 N 0.00 0.99 0.04 0.00 3.08 -1.40 2.31 114.38 119.40 1dmo h ARG 74 Ca -0.00 -0.39 -0.25 0.00 0.07 0.00 0.00 59.98 59.40 1dmo h ARG 74 Cb 0.90 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 1dmo h ARG 74 CO 0.06 1.07 -1.21 0.87 -1.07 0.00 0.00 179.97 179.70 1dmo h LYS 75 N 0.85 0.09 -0.01 0.04 1.79 -1.55 -3.27 116.57 114.52 1dmo h LYS 75 Ca 0.12 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1dmo h LYS 75 Cb 0.73 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.43 1dmo h LYS 75 CO 0.06 1.00 -0.54 -1.33 -1.08 0.00 0.00 179.45 177.56 1dmo n MET 76 N -3.37 0.56 -3.41 3.15 2.81 -0.02 -4.97 117.12 111.88 1dmo n MET 76 Ca -0.06 -0.40 -0.17 0.00 -1.81 0.00 0.00 57.70 55.26 1dmo n MET 76 Cb 0.99 -1.49 0.09 0.00 -0.71 0.00 0.00 33.22 32.09 1dmo n MET 76 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1dmo n LYS 77 N -0.87 -6.54 0.00 0.03 4.01 0.76 -4.73 118.16 110.81 1dmo n LYS 77 Ca 0.08 0.83 0.00 0.00 -0.51 0.00 0.00 58.31 58.71 1dmo n LYS 77 Cb 0.37 -5.79 0.00 0.00 -0.51 0.00 0.00 35.03 29.10 1dmo n LYS 77 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1dmo n ASP 78 N -3.07 -1.15 -4.24 4.39 8.00 0.20 -4.62 116.55 116.07 1dmo n ASP 78 Ca -0.27 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 54.89 1dmo n ASP 78 Cb 0.66 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.89 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 -0.14 0.00 -2.54 -3.53 5.66 -1.26 -4.80 114.28 107.67 1dmo n THR 79 Ca 0.00 -0.24 -0.43 0.00 -3.05 0.00 0.00 64.05 60.33 1dmo n THR 79 Cb 0.00 -0.47 0.00 0.00 -1.55 0.00 0.00 70.33 68.31 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 -0.46 5.22 0.01 1.09 2.03 -1.26 -4.65 116.55 118.53 1dmo n ASP 80 Ca 0.01 -3.10 -0.10 0.00 0.52 0.00 0.00 54.79 52.12 1dmo n ASP 80 Cb 0.63 -1.48 -0.14 0.00 -0.72 0.00 0.00 41.12 39.41 1dmo n ASP 80 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1dmo h SER 81 N 6.06 0.08 -1.29 1.67 0.87 -1.87 -3.34 113.55 115.73 1dmo h SER 81 Ca 0.36 -0.15 0.41 0.00 -1.23 0.00 0.00 61.79 61.19 1dmo h SER 81 Cb 0.69 -0.03 -0.12 0.00 -0.44 0.00 0.00 62.40 62.50 1dmo h SER 81 CO 1.51 1.13 0.83 1.05 -0.53 0.00 0.00 176.83 180.82 1dmo h GLU 82 N 0.01 0.12 0.21 2.24 4.11 -1.94 0.24 114.58 119.57 1dmo h GLU 82 Ca -0.23 -0.01 0.01 0.00 0.07 0.00 0.00 59.36 59.20 1dmo h GLU 82 Cb 1.96 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 31.16 1dmo h GLU 82 CO 0.10 0.08 -0.24 0.93 0.07 0.00 0.00 179.01 179.95 1dmo h GLU 83 N 0.13 -0.48 -0.99 1.06 3.07 -1.97 0.14 114.58 115.55 1dmo h GLU 83 Ca 0.78 0.03 0.16 0.00 -0.50 0.00 0.00 59.36 59.84 1dmo h GLU 83 Cb 2.43 0.11 -0.10 0.00 -0.84 0.00 0.00 28.75 30.35 1dmo h GLU 83 CO -0.39 -0.32 0.60 0.93 -1.40 0.00 0.00 179.01 178.43 1dmo h GLU 84 N -0.50 0.79 0.28 2.33 5.08 -0.77 -1.87 114.58 119.93 1dmo h GLU 84 Ca 0.01 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1dmo h GLU 84 Cb 0.48 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1dmo h GLU 84 CO -0.08 0.52 -0.14 0.82 -1.00 0.00 0.00 179.01 179.14 1dmo h ILE 85 N 0.82 0.74 -1.00 3.13 2.04 -1.08 -1.74 117.51 120.42 1dmo h ILE 85 Ca 0.54 -0.58 0.31 0.00 1.00 0.00 0.00 64.86 66.13 1dmo h ILE 85 Cb 0.75 1.05 -0.15 0.00 -0.74 0.00 0.00 36.82 37.73 1dmo h ILE 85 CO -0.35 0.12 0.55 -0.09 0.00 0.00 0.00 178.15 178.38 1dmo h ARG 86 N -0.70 0.32 -0.25 2.37 2.43 0.02 0.64 114.38 119.20 1dmo h ARG 86 Ca -0.04 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.00 1dmo h ARG 86 Cb 0.48 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1dmo h ARG 86 CO 0.06 0.21 -0.28 0.93 -1.51 0.00 0.00 179.97 179.39 1dmo h GLU 87 N 0.33 0.64 -0.57 0.20 4.39 -1.21 -1.48 114.58 116.88 1dmo h GLU 87 Ca 0.72 -0.34 0.17 0.00 0.34 0.00 0.00 59.36 60.24 1dmo h GLU 87 Cb 1.63 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 30.27 1dmo h GLU 87 CO -0.61 0.95 0.53 0.00 -1.16 0.00 0.00 179.01 178.73 1dmo h ALA 88 N 0.68 2.36 0.11 3.43 0.00 0.12 0.67 119.26 126.62 1dmo h ALA 88 Ca 0.04 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.67 1dmo h ALA 88 Cb 0.84 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1dmo h ALA 88 CO 0.07 -0.83 -1.33 0.74 0.00 0.00 0.00 179.25 177.91 1dmo h PHE 89 N 0.00 0.41 0.00 0.00 0.04 -0.89 -3.31 116.94 113.19 1dmo h PHE 89 Ca 0.27 -0.30 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1dmo h PHE 89 Cb 1.33 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.47 1dmo h PHE 89 CO 0.00 1.52 0.00 0.00 -0.60 0.00 0.00 178.31 179.23 1dmo h ARG 90 N -0.37 0.00 0.00 1.51 3.08 0.11 -2.51 114.38 116.20 1dmo h ARG 90 Ca -0.29 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.76 1dmo h ARG 90 Cb 1.71 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.75 1dmo h ARG 90 CO 0.05 0.00 -0.02 0.28 -1.07 0.00 0.00 179.97 179.21 1dmo h VAL 91 N 0.00 0.58 0.00 2.04 2.07 0.14 -0.54 116.25 120.55 1dmo h VAL 91 Ca 0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1dmo h VAL 91 Cb 0.38 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1dmo h VAL 91 CO 0.00 0.01 -1.51 0.49 0.02 0.00 0.00 177.57 176.58 1dmo n PHE 92 N -3.90 0.23 -1.69 1.57 3.01 -0.95 -4.93 117.46 110.81 1dmo n PHE 92 Ca -0.03 0.07 -0.53 0.00 1.01 0.00 0.00 57.45 57.97 1dmo n PHE 92 Cb 0.10 -0.52 -0.06 0.00 -0.01 0.00 0.00 39.48 38.99 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 -2.19 2.77 0.00 4.37 2.03 -0.21 -4.70 116.55 118.61 1dmo n ASP 93 Ca -0.01 1.04 0.00 0.00 0.52 0.00 0.00 54.79 56.34 1dmo n ASP 93 Cb 0.51 -1.25 0.00 0.00 -0.72 0.00 0.00 41.12 39.66 1dmo n ASP 93 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1dmo n LYS 94 N 5.44 3.08 0.00 -0.67 2.85 -1.26 -5.00 118.16 122.60 1dmo n LYS 94 Ca 0.24 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.50 1dmo n LYS 94 Cb 0.21 -0.32 0.00 0.00 -0.65 0.00 0.00 35.03 34.27 1dmo n LYS 94 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1dmo n ASP 95 N -0.10 0.00 -0.03 -5.58 8.00 -1.26 -4.87 116.55 112.71 1dmo n ASP 95 Ca 0.00 0.00 0.22 0.00 0.71 0.00 0.00 54.79 55.72 1dmo n ASP 95 Cb 0.00 0.00 0.52 0.00 -0.02 0.00 0.00 41.12 41.62 1dmo n ASP 95 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1dmo h GLY 96 N 0.00 0.00 -5.35 0.44 0.00 -1.93 -3.44 103.07 92.78 1dmo h GLY 96 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 1dmo h GLY 96 CO 0.00 0.00 -0.51 -2.01 0.00 0.00 0.00 176.54 174.02 1dmo n ASN 97 N -3.29 -6.96 0.00 0.19 2.85 -1.26 -4.02 115.26 102.78 1dmo n ASN 97 Ca 0.14 -0.45 0.00 0.00 -0.11 0.00 0.00 54.58 54.16 1dmo n ASN 97 Cb 1.12 -5.13 0.00 0.00 1.24 0.00 0.00 39.78 37.01 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 -1.43 2.09 3.71 8.20 0.00 -1.26 -5.03 105.19 111.47 1dmo n GLY 98 Ca -0.04 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 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 3.51 0.25 1.61 2.02 -1.26 -4.51 117.35 118.98 1dmo s TYR 99 Ca 0.00 1.43 0.00 0.00 -0.37 0.00 0.00 57.07 58.14 1dmo s TYR 99 Cb 0.00 -3.32 -0.04 0.00 -0.40 0.00 0.00 41.96 38.20 1dmo s TYR 99 CO 0.00 -0.87 0.44 0.96 -1.57 0.00 0.00 175.55 174.50 1dmo s ILE 100 N 0.96 5.18 -0.01 2.71 -4.36 -0.77 -4.43 121.20 120.48 1dmo s ILE 100 Ca 0.56 -0.48 -0.30 0.00 -0.26 0.00 0.00 60.65 60.17 1dmo s ILE 100 Cb -0.27 -3.79 -0.06 0.00 1.25 0.00 0.00 42.46 39.59 1dmo s ILE 100 CO 0.29 -0.31 1.45 -0.44 0.24 0.00 0.00 174.94 176.17 1dmo s SER 101 N -3.55 6.81 0.57 4.36 0.01 -1.26 -1.24 113.70 119.40 1dmo s SER 101 Ca 0.38 2.14 0.41 0.00 1.31 0.00 0.00 55.95 60.20 1dmo s SER 101 Cb -0.10 -2.56 1.53 0.00 0.21 0.00 0.00 66.02 65.10 1dmo s SER 101 CO 0.31 -0.76 1.60 0.00 0.41 0.00 0.00 173.24 174.80 1dmo h ALA 102 N 8.09 3.42 0.66 1.44 0.00 -1.54 0.15 119.26 131.48 1dmo h ALA 102 Ca -0.38 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1dmo h ALA 102 Cb 1.18 0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.09 1dmo h ALA 102 CO 0.92 -1.97 -0.32 0.00 0.00 0.00 0.00 179.25 177.88 1dmo h ALA 103 N 1.05 -1.17 -0.53 0.00 0.00 -1.88 -0.68 119.26 116.05 1dmo h ALA 103 Ca 0.72 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.54 1dmo h ALA 103 Cb 3.09 0.34 -0.09 0.00 0.00 0.00 0.00 17.79 21.13 1dmo h ALA 103 CO -0.01 -1.10 -0.05 0.93 0.00 0.00 0.00 179.25 179.01 1dmo h GLU 104 N -0.93 0.06 -0.68 0.00 3.07 -1.12 0.46 114.58 115.45 1dmo h GLU 104 Ca -0.09 -0.00 0.14 0.00 -0.50 0.00 0.00 59.36 58.91 1dmo h GLU 104 Cb 0.68 -0.01 -0.12 0.00 -0.84 0.00 0.00 28.75 28.45 1dmo h GLU 104 CO 0.15 0.04 -0.05 1.25 -1.40 0.00 0.00 179.01 179.00 1dmo h LEU 105 N 0.06 -0.41 -1.81 1.33 6.46 -1.19 1.13 115.31 120.89 1dmo h LEU 105 Ca 0.27 0.18 0.16 0.00 -0.12 0.00 0.00 57.88 58.36 1dmo h LEU 105 Cb 0.41 0.34 -0.03 0.00 -0.73 0.00 0.00 40.66 40.65 1dmo h LEU 105 CO -0.49 -0.17 0.45 -0.09 -0.62 0.00 0.00 178.44 177.52 1dmo h ARG 106 N 0.07 0.18 0.00 1.25 2.43 0.69 0.68 114.38 119.68 1dmo h ARG 106 Ca 0.35 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.42 1dmo h ARG 106 Cb 0.58 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1dmo h ARG 106 CO -0.62 0.12 -0.45 1.25 -1.51 0.00 0.00 179.97 178.75 1dmo h HIS 107 N 0.19 0.00 -0.21 2.20 2.76 0.16 -3.23 115.15 117.01 1dmo h HIS 107 Ca 0.31 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.41 1dmo h HIS 107 Cb 0.98 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.93 1dmo h HIS 107 CO -0.00 0.45 -0.16 0.28 -1.30 0.00 0.00 177.93 177.20 1dmo h VAL 108 N 0.00 1.32 -0.04 5.26 2.07 0.21 -1.93 116.25 123.13 1dmo h VAL 108 Ca -0.00 -1.29 0.01 0.00 0.82 0.00 0.00 66.70 66.24 1dmo h VAL 108 Cb 1.15 1.69 -0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1dmo h VAL 108 CO 0.06 0.39 0.05 0.24 0.02 0.00 0.00 177.57 178.33 1dmo h MET 109 N 0.18 0.00 0.00 1.57 2.07 -1.42 0.30 114.93 117.62 1dmo h MET 109 Ca 0.04 0.00 -0.21 0.00 -2.07 0.00 0.00 59.70 57.46 1dmo h MET 109 Cb 0.69 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 30.39 1dmo h MET 109 CO 0.04 0.00 -1.01 1.15 1.07 0.00 0.00 176.91 178.17 1dmo h THR 110 N 0.00 1.59 -0.03 2.22 2.02 -1.50 -3.04 112.91 114.18 1dmo h THR 110 Ca 0.02 -3.28 -0.02 0.00 0.77 0.00 0.00 66.41 63.89 1dmo h THR 110 Cb 0.11 2.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 1dmo h THR 110 CO -0.00 0.91 -0.08 0.78 0.37 0.00 0.00 175.52 177.50 1dmo h ASN 111 N 0.00 0.11 0.77 4.18 -0.26 0.32 -3.35 115.58 117.36 1dmo h ASN 111 Ca -0.03 -0.61 -0.04 0.00 -0.56 0.00 0.00 56.30 55.06 1dmo h ASN 111 Cb 1.75 -0.03 0.01 0.00 -1.06 0.00 0.00 38.32 38.99 1dmo h ASN 111 CO 0.12 0.71 -0.37 -0.07 -1.06 0.00 0.00 177.43 176.76 1dmo h LEU 112 N -0.48 -0.87 -0.05 1.61 3.38 -1.39 -3.48 115.31 114.03 1dmo h LEU 112 Ca -0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1dmo h LEU 112 Cb 0.70 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1dmo h LEU 112 CO 0.02 -0.60 0.00 0.61 0.09 0.00 0.00 178.44 178.55 1dmo n GLY 113 N -1.34 1.52 0.10 0.83 0.00 -1.15 -4.93 105.19 100.22 1dmo n GLY 113 Ca -0.13 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.71 0.15 -1.82 1.61 1.02 -1.26 -4.64 120.64 114.99 1dmo n GLU 114 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 1dmo n GLU 114 Cb 0.08 -1.02 -0.01 0.00 -0.02 0.00 0.00 31.44 30.47 1dmo n GLU 114 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1dmo n LYS 115 N -0.31 -0.51 -3.35 3.49 4.81 -1.26 -4.98 118.16 116.05 1dmo n LYS 115 Ca 0.00 0.46 -0.46 0.00 -0.87 0.00 0.00 58.31 57.44 1dmo n LYS 115 Cb 0.01 -4.31 -0.04 0.00 0.02 0.00 0.00 35.03 30.71 1dmo n LYS 115 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1dmo s LEU 116 N -1.80 6.37 0.89 3.14 1.43 -1.26 -5.05 118.68 122.40 1dmo s LEU 116 Ca 0.00 -2.24 -0.13 0.00 -1.03 0.00 0.00 54.13 50.72 1dmo s LEU 116 Cb 0.00 -2.18 0.02 0.00 0.03 0.00 0.00 46.19 44.06 1dmo s LEU 116 CO 0.00 -0.70 0.48 0.35 0.23 0.00 0.00 176.35 176.71 1dmo n THR 117 N 4.59 0.49 -0.09 5.49 -2.24 -1.26 -4.57 114.28 116.69 1dmo n THR 117 Ca -0.00 -0.23 0.16 0.00 -2.27 0.00 0.00 64.05 61.70 1dmo n THR 117 Cb 0.43 -0.68 0.56 0.00 -2.10 0.00 0.00 70.33 68.55 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 -1.28 0.26 0.37 3.42 2.03 -1.98 -1.38 116.42 117.87 1dmo h ASP 118 Ca -0.44 0.01 -0.02 0.00 -0.73 0.00 0.00 57.03 55.85 1dmo h ASP 118 Cb 1.30 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.76 1dmo h ASP 118 CO 0.37 0.14 -0.18 -0.33 -1.03 0.00 0.00 179.24 178.21 1dmo h GLU 119 N 0.28 -0.48 -0.77 4.15 4.39 -1.99 0.34 114.58 120.50 1dmo h GLU 119 Ca 0.31 0.03 0.04 0.00 0.34 0.00 0.00 59.36 60.08 1dmo h GLU 119 Cb 0.82 0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 29.53 1dmo h GLU 119 CO -0.07 -0.25 0.48 0.93 -1.16 0.00 0.00 179.01 178.94 1dmo h GLU 120 N -0.63 0.88 -0.04 2.33 4.39 -1.67 -0.93 114.58 118.91 1dmo h GLU 120 Ca -0.05 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.51 1dmo h GLU 120 Cb 0.46 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1dmo h GLU 120 CO 0.08 0.58 -0.39 0.28 -1.16 0.00 0.00 179.01 178.40 1dmo h VAL 121 N 0.90 1.29 -0.33 3.13 2.07 -1.11 -2.32 116.25 119.89 1dmo h VAL 121 Ca 0.32 -1.38 -0.14 0.00 0.82 0.00 0.00 66.70 66.31 1dmo h VAL 121 Cb 0.08 1.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1dmo h VAL 121 CO -0.14 0.40 -0.36 -0.78 0.02 0.00 0.00 177.57 176.71 1dmo h ASP 122 N 0.06 0.88 0.52 0.57 1.82 0.95 0.27 116.42 121.50 1dmo h ASP 122 Ca 0.00 -0.48 -0.09 0.00 -0.39 0.00 0.00 57.03 56.08 1dmo h ASP 122 Cb 0.72 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.47 1dmo h ASP 122 CO 0.05 1.18 -0.42 -0.33 -1.61 0.00 0.00 179.24 178.12 1dmo h GLU 123 N 0.60 0.00 0.17 0.28 5.08 -1.11 -2.41 114.58 117.20 1dmo h GLU 123 Ca 0.05 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.07 1dmo h GLU 123 Cb 0.95 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.21 1dmo h GLU 123 CO 0.09 0.42 -1.66 1.98 -1.00 0.00 0.00 179.01 178.84 1dmo h MET 124 N 0.00 0.37 -0.04 2.33 4.05 -1.27 -3.32 114.93 117.05 1dmo h MET 124 Ca -0.00 -0.63 -0.03 0.00 -0.28 0.00 0.00 59.70 58.76 1dmo h MET 124 Cb 0.79 0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 31.82 1dmo h MET 124 CO 0.05 1.27 -0.12 0.82 0.23 0.00 0.00 176.91 179.17 1dmo h ILE 125 N 0.10 1.11 -0.41 1.77 2.04 -0.39 -1.85 117.51 119.88 1dmo h ILE 125 Ca -0.30 -0.50 -0.06 0.00 1.00 0.00 0.00 64.86 64.99 1dmo h ILE 125 Cb 2.08 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 39.35 1dmo h ILE 125 CO 0.18 0.15 -0.01 -0.09 0.00 0.00 0.00 178.15 178.39 1dmo h ARG 126 N 0.06 0.66 -0.62 2.37 2.43 -1.52 -2.32 114.38 115.44 1dmo h ARG 126 Ca 0.01 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.01 1dmo h ARG 126 Cb 0.25 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1dmo h ARG 126 CO 0.02 0.68 0.02 -0.85 -1.51 0.00 0.00 179.97 178.32 1dmo n GLU 127 N -4.24 4.64 -0.10 0.20 0.28 -0.74 -4.36 120.64 116.31 1dmo n GLU 127 Ca 0.02 -2.97 0.00 0.00 -0.16 0.00 0.00 57.16 54.05 1dmo n GLU 127 Cb 0.28 -2.23 0.00 0.00 1.43 0.00 0.00 31.44 30.92 1dmo n GLU 127 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1dmo n ALA 128 N 0.55 2.50 -2.38 -1.84 0.00 -0.87 -4.60 120.51 113.86 1dmo n ALA 128 Ca 0.27 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.62 1dmo n ALA 128 Cb 1.16 -1.09 0.01 0.00 0.00 0.00 0.00 19.45 19.52 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 0.96 -3.34 -4.87 0.00 5.15 -1.26 -4.65 115.26 107.24 1dmo n ASN 129 Ca 0.00 -0.07 -0.24 0.00 -0.60 0.00 0.00 54.58 53.68 1dmo n ASN 129 Cb 0.34 -2.43 -0.02 0.00 -0.53 0.00 0.00 39.78 37.14 1dmo n ASN 129 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1dmo s ILE 130 N -2.63 2.14 0.00 -1.44 1.01 -1.26 -4.99 121.20 114.02 1dmo s ILE 130 Ca 0.07 -1.45 0.00 0.00 0.00 0.00 0.00 60.65 59.27 1dmo s ILE 130 Cb -0.03 -2.59 0.00 0.00 0.01 0.00 0.00 42.46 39.86 1dmo s ILE 130 CO 0.08 0.00 0.00 -0.67 0.00 0.00 0.00 174.94 174.35 1dmo n ASP 131 N -1.63 0.00 0.00 3.58 2.03 -1.26 -4.96 116.55 114.32 1dmo n ASP 131 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1dmo n ASP 131 Cb 0.63 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.03 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 -0.19 0.00 0.13 0.27 0.00 -1.26 -5.00 105.19 99.14 1dmo n GLY 132 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1dmo n GLY 132 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1dmo h ASP 133 N 0.00 0.59 0.00 1.61 3.04 -1.97 -3.47 116.42 116.21 1dmo h ASP 133 Ca 0.00 -0.94 0.00 0.00 -3.24 0.00 0.00 57.03 52.85 1dmo h ASP 133 Cb 0.00 -0.19 0.00 0.00 -1.04 0.00 0.00 39.33 38.10 1dmo h ASP 133 CO 0.00 1.52 0.00 0.61 -2.04 0.00 0.00 179.24 179.33 1dmo n GLY 134 N 1.69 0.85 3.90 7.15 0.00 -1.26 -5.06 105.19 112.47 1dmo n GLY 134 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.87 3.55 -0.12 1.61 -0.21 -1.26 -1.46 119.66 120.91 1dmo s GLN 135 Ca 0.00 0.25 -0.04 0.00 0.02 0.00 0.00 55.36 55.58 1dmo s GLN 135 Cb 0.00 -2.36 0.06 0.00 1.00 0.00 0.00 33.01 31.71 1dmo s GLN 135 CO 0.00 -0.22 0.22 0.08 -2.12 0.00 0.00 175.29 173.25 1dmo s VAL 136 N -2.76 -0.35 -1.10 1.09 1.01 -0.37 -4.74 120.40 113.18 1dmo s VAL 136 Ca 0.48 0.28 -0.23 0.00 0.00 0.00 0.00 61.98 62.51 1dmo s VAL 136 Cb -0.10 -0.40 -0.08 0.00 0.00 0.00 0.00 36.38 35.80 1dmo s VAL 136 CO 0.45 0.11 1.94 0.21 0.00 0.00 0.00 175.10 177.81 1dmo s ASN 137 N 2.37 5.06 0.39 3.32 3.04 -1.26 -1.85 114.94 126.00 1dmo s ASN 137 Ca 0.02 -1.37 0.05 0.00 0.04 0.00 0.00 52.86 51.60 1dmo s ASN 137 Cb -0.12 -2.58 0.26 0.00 -1.54 0.00 0.00 41.25 37.26 1dmo s ASN 137 CO -0.08 -2.99 0.97 0.10 -3.04 0.00 0.00 177.10 172.07 1dmo h TYR 138 N 10.19 0.00 0.79 0.43 -0.00 -1.89 0.13 116.97 126.61 1dmo h TYR 138 Ca 0.18 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.87 1dmo h TYR 138 Cb 0.96 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 37.70 1dmo h TYR 138 CO 1.21 0.00 -0.38 0.93 -0.00 0.00 0.00 178.16 179.92 1dmo h GLU 139 N 0.00 -1.02 0.00 0.10 4.39 -1.89 0.41 114.58 116.58 1dmo h GLU 139 Ca 0.00 0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 1dmo h GLU 139 Cb 1.30 0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 30.18 1dmo h GLU 139 CO 0.00 -0.67 -0.14 1.05 -1.16 0.00 0.00 179.01 178.09 1dmo h GLU 140 N -1.25 0.00 -0.15 2.33 4.11 -1.38 -1.34 114.58 116.90 1dmo h GLU 140 Ca -0.11 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.19 1dmo h GLU 140 Cb 0.82 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1dmo h GLU 140 CO 0.18 0.14 -0.46 0.35 0.07 0.00 0.00 179.01 179.29 1dmo h PHE 141 N 0.00 0.46 0.00 2.06 3.04 -1.19 -0.98 116.94 120.34 1dmo h PHE 141 Ca -0.00 -0.14 -0.04 0.00 3.98 0.00 0.00 57.97 61.77 1dmo h PHE 141 Cb 0.31 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 38.72 1dmo h PHE 141 CO 0.00 0.78 -0.17 0.28 -2.02 0.00 0.00 178.31 177.17 1dmo h VAL 142 N 0.31 0.61 0.10 1.41 2.07 0.10 -2.32 116.25 118.54 1dmo h VAL 142 Ca 0.02 -0.78 -0.34 0.00 0.82 0.00 0.00 66.70 66.43 1dmo h VAL 142 Cb 0.93 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 1dmo h VAL 142 CO 0.08 0.17 -1.82 1.56 0.02 0.00 0.00 177.57 177.58 1dmo h GLN 143 N 0.00 0.22 -0.74 1.57 4.20 -1.34 -3.36 115.11 115.66 1dmo h GLN 143 Ca -0.00 -0.37 0.01 0.00 0.06 0.00 0.00 58.65 58.35 1dmo h GLN 143 Cb 0.49 0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.37 1dmo h GLN 143 CO 0.02 1.18 0.49 0.52 -0.67 0.00 0.00 178.83 180.37 1dmo h MET 144 N -0.16 0.95 -0.45 1.46 2.86 -1.12 -1.33 114.93 117.15 1dmo h MET 144 Ca -0.40 -0.06 0.12 0.00 -2.06 0.00 0.00 59.70 57.30 1dmo h MET 144 Cb 1.88 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 33.30 1dmo h MET 144 CO 0.03 0.63 0.32 0.52 1.06 0.00 0.00 176.91 179.47 1dmo h MET 145 N 0.98 0.07 -2.63 1.72 2.86 -1.59 -2.89 114.93 113.46 1dmo h MET 145 Ca 0.28 -0.00 -0.78 0.00 -2.06 0.00 0.00 59.70 57.13 1dmo h MET 145 Cb -0.08 -0.02 -0.30 0.00 0.06 0.00 0.00 31.60 31.27 1dmo h MET 145 CO -0.07 0.05 0.67 0.25 1.06 0.00 0.00 176.91 178.86 1dmo n THR 146 N -4.43 5.20 -3.04 2.22 -2.24 -0.50 -5.02 114.28 106.47 1dmo n THR 146 Ca 0.07 -5.88 -0.25 0.00 -2.27 0.00 0.00 64.05 55.72 1dmo n THR 146 Cb 0.47 -1.90 -0.01 0.00 -2.10 0.00 0.00 70.33 66.80 1dmo n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dmo s ALA 147 N -3.25 3.56 -1.91 6.98 0.00 -1.09 -4.97 121.76 121.08 1dmo s ALA 147 Ca 0.35 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1dmo s ALA 147 Cb 0.11 -2.33 0.00 0.00 0.00 0.00 0.00 23.12 20.90 1dmo s ALA 147 CO 0.02 -0.17 0.48 1.63 0.00 0.00 0.00 175.76 177.72