#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 -2.07 -4.67 0.00 8.00 -1.26 -4.78 116.55 111.77 1dmo n ASP 2 Ca 0.00 -1.24 -0.42 0.00 0.71 0.00 0.00 54.79 53.84 1dmo n ASP 2 Cb 0.00 -1.93 -0.03 0.00 -0.02 0.00 0.00 41.12 39.14 1dmo n ASP 2 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1dmo s GLN 3 N -7.21 4.18 0.97 -1.24 -0.21 -1.26 -4.68 119.66 110.21 1dmo s GLN 3 Ca 0.27 2.37 0.00 0.00 0.02 0.00 0.00 55.36 58.02 1dmo s GLN 3 Cb -0.14 -3.84 0.00 0.00 1.00 0.00 0.00 33.01 30.03 1dmo s GLN 3 CO 0.96 -0.82 0.00 1.28 -2.12 0.00 0.00 175.29 174.59 1dmo n LEU 4 N 6.48 0.00 -4.44 2.90 4.32 -1.26 -4.70 117.00 120.30 1dmo n LEU 4 Ca 0.17 0.00 -0.31 0.00 -0.02 0.00 0.00 56.01 55.86 1dmo n LEU 4 Cb 0.41 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.08 1dmo n LEU 4 CO 0.64 -0.19 -0.50 0.42 -1.22 0.00 0.00 177.39 176.54 1dmo s THR 5 N 0.00 2.71 0.31 -5.08 -4.23 -1.26 -4.89 115.64 103.19 1dmo s THR 5 Ca 0.00 -1.24 0.08 0.00 -1.18 0.00 0.00 61.69 59.35 1dmo s THR 5 Cb 0.00 -2.14 0.31 0.00 1.34 0.00 0.00 72.50 72.01 1dmo s THR 5 CO 0.00 0.32 1.68 1.05 -0.54 0.00 0.00 174.62 177.13 1dmo h GLU 6 N 4.50 0.36 0.65 3.99 4.11 -1.98 0.15 114.58 126.37 1dmo h GLU 6 Ca -0.48 -0.02 -0.03 0.00 0.07 0.00 0.00 59.36 58.90 1dmo h GLU 6 Cb 1.15 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.33 1dmo h GLU 6 CO 0.47 0.24 -0.31 1.49 0.07 0.00 0.00 179.01 180.96 1dmo h GLU 7 N 0.37 -0.84 -0.96 1.06 4.81 -1.99 0.12 114.58 117.15 1dmo h GLU 7 Ca 0.63 0.06 0.25 0.00 -0.13 0.00 0.00 59.36 60.17 1dmo h GLU 7 Cb 1.29 0.19 -0.06 0.00 0.63 0.00 0.00 28.75 30.80 1dmo h GLU 7 CO -0.57 -0.52 0.66 1.96 -0.73 0.00 0.00 179.01 179.81 1dmo h GLN 8 N -1.07 0.20 -0.01 1.92 4.20 -1.60 1.19 115.11 119.94 1dmo h GLN 8 Ca -0.09 -0.01 -0.15 0.00 0.06 0.00 0.00 58.65 58.46 1dmo h GLN 8 Cb 0.71 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 1dmo h GLN 8 CO 0.15 0.13 -0.68 0.82 -0.67 0.00 0.00 178.83 178.58 1dmo h ILE 9 N 0.21 1.47 -0.06 2.54 2.04 -0.24 -1.90 117.51 121.56 1dmo h ILE 9 Ca 0.49 -2.29 -0.01 0.00 1.00 0.00 0.00 64.86 64.04 1dmo h ILE 9 Cb 1.56 2.23 -0.00 0.00 -0.74 0.00 0.00 36.82 39.87 1dmo h ILE 9 CO -0.12 0.66 -0.01 0.00 0.00 0.00 0.00 178.15 178.68 1dmo h ALA 10 N 1.27 0.09 0.00 1.87 0.00 0.41 -0.77 119.26 122.12 1dmo h ALA 10 Ca -0.01 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1dmo h ALA 10 Cb 1.21 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1dmo h ALA 10 CO 0.09 -0.21 -0.20 0.93 0.00 0.00 0.00 179.25 179.86 1dmo h GLU 11 N -0.21 0.00 -0.01 0.00 3.07 -1.22 -2.03 114.58 114.18 1dmo h GLU 11 Ca 0.02 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1dmo h GLU 11 Cb 0.39 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1dmo h GLU 11 CO 0.01 0.20 -0.01 0.74 -1.40 0.00 0.00 179.01 178.54 1dmo h PHE 12 N 0.00 0.03 -0.88 4.33 -1.00 -0.98 -2.77 116.94 115.66 1dmo h PHE 12 Ca -0.00 -0.01 0.04 0.00 2.81 0.00 0.00 57.97 60.81 1dmo h PHE 12 Cb 0.40 -0.01 -0.05 0.00 3.61 0.00 0.00 35.95 39.90 1dmo h PHE 12 CO 0.00 0.47 0.58 -0.22 -1.61 0.00 0.00 178.31 177.53 1dmo h LYS 13 N -0.41 1.07 -0.22 1.51 3.64 -0.84 0.14 116.57 121.46 1dmo h LYS 13 Ca 0.00 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1dmo h LYS 13 Cb 0.46 -0.24 -0.06 0.00 -0.41 0.00 0.00 32.23 31.98 1dmo h LYS 13 CO 0.00 0.71 -0.15 0.93 -2.27 0.00 0.00 179.45 178.66 1dmo h GLU 14 N 1.10 -0.14 0.14 1.90 5.08 -1.26 0.53 114.58 121.92 1dmo h GLU 14 Ca 0.35 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.72 1dmo h GLU 14 Cb 0.03 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1dmo h GLU 14 CO -0.11 -0.10 -0.07 0.00 -1.00 0.00 0.00 179.01 177.74 1dmo h ALA 15 N 0.99 -0.18 -0.84 3.43 0.00 -1.06 0.23 119.26 121.83 1dmo h ALA 15 Ca 0.13 -0.07 0.24 0.00 0.00 0.00 0.00 54.91 55.20 1dmo h ALA 15 Cb 0.34 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1dmo h ALA 15 CO -0.31 -0.57 0.60 0.35 0.00 0.00 0.00 179.25 179.32 1dmo h PHE 16 N -0.26 0.07 0.00 0.00 3.57 -0.21 0.25 116.94 120.37 1dmo h PHE 16 Ca -0.02 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.33 1dmo h PHE 16 Cb 0.20 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 1dmo h PHE 16 CO -0.05 0.02 -1.26 0.77 -2.23 0.00 0.00 178.31 175.56 1dmo h SER 17 N 0.06 0.00 -0.10 0.41 0.02 0.91 -3.29 113.55 111.56 1dmo h SER 17 Ca 0.40 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.28 1dmo h SER 17 Cb 1.53 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.05 1dmo h SER 17 CO -0.03 0.54 -0.17 -0.07 -1.14 0.00 0.00 176.83 175.96 1dmo h LEU 18 N 0.00 0.47 -3.76 5.07 3.38 0.28 -2.49 115.31 118.26 1dmo h LEU 18 Ca -0.13 -0.13 -0.26 0.00 0.09 0.00 0.00 57.88 57.45 1dmo h LEU 18 Cb 1.53 -0.12 -0.15 0.00 0.09 0.00 0.00 40.66 42.00 1dmo h LEU 18 CO 0.05 0.66 0.31 0.49 0.09 0.00 0.00 178.44 180.04 1dmo n PHE 19 N -4.18 2.51 -2.09 1.13 3.72 -0.89 -4.97 117.46 112.68 1dmo n PHE 19 Ca 0.00 -1.30 -0.42 0.00 -0.05 0.00 0.00 57.45 55.68 1dmo n PHE 19 Cb 0.35 -0.72 -0.03 0.00 -0.94 0.00 0.00 39.48 38.14 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 -1.12 6.74 0.00 4.37 -1.08 -0.94 -4.76 116.67 119.88 1dmo s ASP 20 Ca 0.55 2.43 0.00 0.00 -0.52 0.00 0.00 52.55 55.01 1dmo s ASP 20 Cb 0.45 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 39.32 1dmo s ASP 20 CO 0.13 -0.71 0.00 0.29 0.52 0.00 0.00 175.17 175.40 1dmo n LYS 21 N 3.87 0.00 -3.27 4.34 4.76 -1.25 -5.03 118.16 121.59 1dmo n LYS 21 Ca 0.12 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.37 1dmo n LYS 21 Cb 0.41 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.53 1dmo n LYS 21 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1dmo s ASP 22 N -1.00 0.89 0.00 4.39 2.15 -1.26 -5.04 116.67 116.80 1dmo s ASP 22 Ca 0.00 -2.14 0.00 0.00 0.43 0.00 0.00 52.55 50.84 1dmo s ASP 22 Cb 0.00 0.41 0.00 0.00 -0.30 0.00 0.00 42.92 43.03 1dmo s ASP 22 CO 0.00 -0.19 0.00 0.61 -0.17 0.00 0.00 175.17 175.42 1dmo n GLY 23 N 3.53 0.24 1.67 2.66 0.00 -1.26 -5.05 105.19 106.98 1dmo n GLY 23 Ca 0.19 0.15 -0.03 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.54 -0.09 1.61 2.03 -1.26 -4.99 116.55 113.31 1dmo n ASP 24 Ca 0.00 -2.06 0.00 0.00 0.52 0.00 0.00 54.79 53.25 1dmo n ASP 24 Cb 0.00 0.22 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 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 -0.35 0.56 3.27 0.27 0.00 -1.26 -5.11 105.19 102.58 1dmo n GLY 25 Ca -0.16 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.32 0.08 0.31 2.61 -4.23 -1.26 -4.16 115.64 107.67 1dmo s THR 26 Ca 0.00 -0.68 0.08 0.00 -1.18 0.00 0.00 61.69 59.91 1dmo s THR 26 Cb 0.00 -1.06 -0.04 0.00 1.34 0.00 0.00 72.50 72.74 1dmo s THR 26 CO 0.00 -0.38 0.13 0.27 -0.54 0.00 0.00 174.62 174.10 1dmo s ILE 27 N -3.04 3.39 -0.06 2.99 -4.36 -0.00 -3.75 121.20 116.36 1dmo s ILE 27 Ca -0.02 -1.68 -0.07 0.00 -0.26 0.00 0.00 60.65 58.63 1dmo s ILE 27 Cb 0.01 -3.02 -0.04 0.00 1.25 0.00 0.00 42.46 40.65 1dmo s ILE 27 CO -0.06 -0.26 0.20 0.42 0.24 0.00 0.00 174.94 175.48 1dmo s THR 28 N -2.35 5.41 0.56 8.37 -4.23 -1.26 -0.05 115.64 122.09 1dmo s THR 28 Ca 0.36 0.18 0.48 0.00 -1.18 0.00 0.00 61.69 61.53 1dmo s THR 28 Cb -0.05 -3.49 0.71 0.00 1.34 0.00 0.00 72.50 71.02 1dmo s THR 28 CO 0.23 0.50 1.55 0.71 -0.54 0.00 0.00 174.62 177.07 1dmo h THR 29 N 3.52 0.01 -0.37 3.99 1.35 -1.86 1.08 112.91 120.64 1dmo h THR 29 Ca -0.52 0.00 -0.13 0.00 -0.55 0.00 0.00 66.41 65.21 1dmo h THR 29 Cb 1.21 0.01 -0.01 0.00 -1.73 0.00 0.00 68.15 67.64 1dmo h THR 29 CO 0.62 0.00 -0.27 0.07 -0.25 0.00 0.00 175.52 175.69 1dmo h LYS 30 N 0.00 0.83 -0.00 4.72 2.10 -1.92 -2.82 116.57 119.48 1dmo h LYS 30 Ca 0.90 -0.40 0.00 0.00 -2.00 0.00 0.00 60.65 59.15 1dmo h LYS 30 Cb 3.70 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 35.03 1dmo h LYS 30 CO -0.01 1.04 -0.02 0.39 -2.00 0.00 0.00 179.45 178.85 1dmo n GLU 31 N -4.20 0.03 0.02 0.07 -0.58 0.36 -4.12 120.64 112.22 1dmo n GLU 31 Ca -0.02 -0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.65 1dmo n GLU 31 Cb 0.47 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.80 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 -0.68 -0.99 -4.62 5.85 -1.03 -0.98 115.31 112.86 1dmo h LEU 32 Ca 0.00 0.08 0.37 0.00 0.84 0.00 0.00 57.88 59.16 1dmo h LEU 32 Cb 0.49 0.26 -0.17 0.00 0.37 0.00 0.00 40.66 41.61 1dmo h LEU 32 CO 0.00 -0.21 0.49 1.23 -0.34 0.00 0.00 178.44 179.61 1dmo h GLY 33 N -0.26 2.08 1.02 3.75 0.00 -1.74 1.05 103.07 108.96 1dmo h GLY 33 Ca 0.01 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 1dmo h GLY 33 CO -0.15 -0.66 0.14 -0.84 0.00 0.00 0.00 176.54 175.02 1dmo h THR 34 N 0.11 1.25 -0.25 4.70 2.02 -1.47 -1.02 112.91 118.25 1dmo h THR 34 Ca 0.78 -0.92 -0.05 0.00 0.77 0.00 0.00 66.41 66.98 1dmo h THR 34 Cb 1.92 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 69.02 1dmo h THR 34 CO -0.73 0.34 -0.06 0.58 0.37 0.00 0.00 175.52 176.03 1dmo h VAL 35 N 0.88 1.28 -0.41 3.16 2.07 0.23 -1.47 116.25 121.98 1dmo h VAL 35 Ca 0.19 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 1dmo h VAL 35 Cb 0.36 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 1dmo h VAL 35 CO 0.00 0.33 0.25 0.24 0.02 0.00 0.00 177.57 178.42 1dmo h MET 36 N 0.22 0.55 0.00 1.57 0.00 -0.79 -0.41 114.93 116.07 1dmo h MET 36 Ca 0.06 -0.04 -0.03 0.00 0.00 0.00 0.00 59.70 59.70 1dmo h MET 36 Cb 0.52 -0.12 -0.00 0.00 0.00 0.00 0.00 31.60 32.00 1dmo h MET 36 CO 0.02 0.38 -0.12 0.00 0.00 0.00 0.00 176.91 177.19 1dmo h ARG 37 N 0.56 0.00 0.01 1.72 3.08 -0.95 -3.16 114.38 115.64 1dmo h ARG 37 Ca 0.15 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.00 1dmo h ARG 37 Cb -0.03 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1dmo h ARG 37 CO -0.03 0.12 -0.90 1.03 -1.07 0.00 0.00 179.97 179.12 1dmo h SER 38 N 0.00 0.25 -0.66 7.04 0.87 0.00 -3.25 113.55 117.80 1dmo h SER 38 Ca -0.00 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.34 1dmo h SER 38 Cb 0.95 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.80 1dmo h SER 38 CO 0.02 1.03 0.37 -0.07 -0.53 0.00 0.00 176.83 177.64 1dmo h LEU 39 N 0.10 0.82 0.00 2.23 4.07 -1.40 -3.47 115.31 117.66 1dmo h LEU 39 Ca -0.05 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.82 1dmo h LEU 39 Cb 1.54 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 43.07 1dmo h LEU 39 CO 0.14 0.67 0.00 0.61 -1.08 0.00 0.00 178.44 178.78 1dmo n GLY 40 N -1.08 2.94 3.66 0.83 0.00 -1.23 -5.09 105.19 105.22 1dmo n GLY 40 Ca 0.05 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 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 0.13 -0.44 1.61 -1.52 -1.25 -5.00 119.66 113.18 1dmo s GLN 41 Ca 0.00 0.41 0.04 0.00 -1.95 0.00 0.00 55.36 53.86 1dmo s GLN 41 Cb 0.00 -1.71 0.17 0.00 -0.22 0.00 0.00 33.01 31.24 1dmo s GLN 41 CO 0.00 -2.91 0.34 1.21 -0.25 0.00 0.00 175.29 173.68 1dmo s ASN 42 N -3.51 2.08 0.21 5.90 3.84 -1.26 -4.29 114.94 117.91 1dmo s ASN 42 Ca 0.66 -3.05 -0.30 0.00 0.21 0.00 0.00 52.86 50.38 1dmo s ASN 42 Cb -0.18 -0.60 -0.10 0.00 -0.55 0.00 0.00 41.25 39.83 1dmo s ASN 42 CO 0.57 -0.18 1.42 -2.16 -2.79 0.00 0.00 177.10 173.96 1dmo s PRO 43 N -0.01 4.30 0.27 0.43 0.05 -1.26 -4.94 135.00 133.84 1dmo s PRO 43 Ca 0.30 2.22 -0.30 0.00 0.05 0.00 0.00 61.00 63.27 1dmo s PRO 43 Cb -0.01 -3.15 -0.11 0.00 0.05 0.00 0.00 34.50 31.28 1dmo s PRO 43 CO -0.16 -0.40 1.54 0.99 0.05 0.00 0.00 177.00 179.01 1dmo s THR 44 N 0.26 2.30 0.66 1.26 2.01 -1.26 -4.77 115.64 116.09 1dmo s THR 44 Ca 0.60 0.25 0.12 0.00 0.31 0.00 0.00 61.69 62.98 1dmo s THR 44 Cb -0.40 -3.16 0.13 0.00 0.01 0.00 0.00 72.50 69.08 1dmo s THR 44 CO 0.39 0.04 1.37 1.05 -0.69 0.00 0.00 174.62 176.78 1dmo h GLU 45 N 4.97 0.00 0.02 4.92 4.11 -1.99 -0.78 114.58 125.82 1dmo h GLU 45 Ca -0.46 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 58.96 1dmo h GLU 45 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1dmo h GLU 45 CO 0.79 0.00 -0.01 0.00 0.07 0.00 0.00 179.01 179.86 1dmo h ALA 46 N 0.54 -0.14 -0.86 1.06 0.00 -1.99 -2.60 119.26 115.27 1dmo h ALA 46 Ca 0.02 -0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.14 1dmo h ALA 46 Cb 1.51 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 19.18 1dmo h ALA 46 CO -0.00 -0.14 0.28 1.49 0.00 0.00 0.00 179.25 180.89 1dmo h GLU 47 N -0.13 0.28 -0.44 0.00 4.81 -1.64 0.76 114.58 118.21 1dmo h GLU 47 Ca -0.00 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.30 1dmo h GLU 47 Cb 0.02 -0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.25 1dmo h GLU 47 CO 0.00 0.18 -0.10 1.25 -0.73 0.00 0.00 179.01 179.62 1dmo h LEU 48 N 0.29 -0.38 -1.75 1.64 5.85 -1.30 0.44 115.31 120.09 1dmo h LEU 48 Ca 0.53 0.13 -0.03 0.00 0.84 0.00 0.00 57.88 59.35 1dmo h LEU 48 Cb 1.03 0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.32 1dmo h LEU 48 CO -0.58 -0.14 -0.14 -0.61 -0.34 0.00 0.00 178.44 176.63 1dmo h GLN 49 N 0.01 0.00 -0.34 1.25 4.15 0.82 -1.82 115.11 119.19 1dmo h GLN 49 Ca 0.21 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.54 1dmo h GLN 49 Cb 0.32 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 1dmo h GLN 49 CO -0.44 0.14 -0.16 0.22 -1.93 0.00 0.00 178.83 176.66 1dmo h ASP 50 N 0.00 0.61 -0.23 -0.69 3.58 0.22 -2.47 116.42 117.45 1dmo h ASP 50 Ca -0.00 -0.18 -0.10 0.00 0.42 0.00 0.00 57.03 57.16 1dmo h ASP 50 Cb 0.25 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.13 1dmo h ASP 50 CO 0.02 0.79 -0.26 0.24 -2.88 0.00 0.00 179.24 177.15 1dmo h MET 51 N 0.56 0.57 -0.74 0.28 2.86 -0.33 -3.01 114.93 115.12 1dmo h MET 51 Ca 0.09 -0.31 0.06 0.00 -2.06 0.00 0.00 59.70 57.48 1dmo h MET 51 Cb 0.59 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.22 1dmo h MET 51 CO 0.04 0.91 0.49 0.82 1.06 0.00 0.00 176.91 180.23 1dmo h ILE 52 N 0.27 1.02 -0.13 -1.22 5.03 -1.32 0.58 117.51 121.74 1dmo h ILE 52 Ca 0.03 -0.27 0.04 0.00 -0.12 0.00 0.00 64.86 64.54 1dmo h ILE 52 Cb 0.82 0.17 -0.01 0.00 -3.03 0.00 0.00 36.82 34.78 1dmo h ILE 52 CO 0.06 0.14 0.17 0.78 -0.68 0.00 0.00 178.15 178.62 1dmo h ASN 53 N 0.78 0.00 0.00 1.72 -0.26 -1.30 0.14 115.58 116.66 1dmo h ASN 53 Ca 0.32 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.06 1dmo h ASN 53 Cb 0.26 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.52 1dmo h ASN 53 CO -0.11 0.00 -0.38 -0.33 -1.06 0.00 0.00 177.43 175.55 1dmo h GLU 54 N 0.00 0.00 0.00 0.81 5.08 -0.95 -3.35 114.58 116.17 1dmo h GLU 54 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1dmo h GLU 54 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1dmo h GLU 54 CO -0.00 0.00 0.00 1.33 -1.00 0.00 0.00 179.01 179.34 1dmo n VAL 55 N -4.46 1.93 -1.79 3.13 0.24 -0.96 -1.64 118.33 114.79 1dmo n VAL 55 Ca -0.05 0.49 -0.28 0.00 -2.04 0.00 0.00 64.34 62.46 1dmo n VAL 55 Cb 0.20 -1.48 0.04 0.00 -1.47 0.00 0.00 33.84 31.13 1dmo n VAL 55 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1dmo n ASP 56 N -1.51 5.95 -0.04 -1.34 2.03 0.49 -4.48 116.55 117.64 1dmo n ASP 56 Ca 0.00 -3.76 -0.02 0.00 0.52 0.00 0.00 54.79 51.53 1dmo n ASP 56 Cb 0.01 -0.58 -0.10 0.00 -0.72 0.00 0.00 41.12 39.73 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 -0.78 1.97 0.17 -1.67 0.00 -0.65 -4.69 120.51 114.86 1dmo n ALA 57 Ca 0.51 -0.64 -0.08 0.00 0.00 0.00 0.00 53.44 53.23 1dmo n ALA 57 Cb 0.84 -0.16 -0.04 0.00 0.00 0.00 0.00 19.45 20.09 1dmo n ALA 57 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1dmo h ASP 58 N 0.00 -0.42 0.00 0.00 1.82 -1.80 -3.48 116.42 112.54 1dmo h ASP 58 Ca -0.22 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.44 1dmo h ASP 58 Cb 1.36 0.11 0.00 0.00 0.68 0.00 0.00 39.33 41.48 1dmo h ASP 58 CO 0.01 -0.07 0.00 0.61 -1.61 0.00 0.00 179.24 178.18 1dmo n GLY 59 N 0.32 -0.45 0.08 -0.78 0.00 -1.26 -5.05 105.19 98.04 1dmo n GLY 59 Ca -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.11 -0.02 1.61 2.35 -1.93 -3.49 115.58 113.99 1dmo h ASN 60 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1dmo h ASN 60 Cb 0.00 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1dmo h ASN 60 CO 0.00 0.16 0.00 0.61 -1.65 0.00 0.00 177.43 176.55 1dmo n GLY 61 N 1.32 1.62 3.48 2.83 0.00 -1.26 -5.09 105.19 108.08 1dmo n GLY 61 Ca -0.02 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.02 0.00 -0.01 2.61 -4.23 -1.26 -3.94 115.64 106.78 1dmo s THR 62 Ca 0.00 -1.58 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 1dmo s THR 62 Cb 0.00 -2.34 0.01 0.00 1.34 0.00 0.00 72.50 71.51 1dmo s THR 62 CO 0.00 0.00 -0.00 -0.63 -0.54 0.00 0.00 174.62 173.45 1dmo s ILE 63 N -3.90 0.10 0.58 2.99 1.01 0.92 -4.76 121.20 118.14 1dmo s ILE 63 Ca 0.28 0.03 -0.02 0.00 0.00 0.00 0.00 60.65 60.94 1dmo s ILE 63 Cb 0.01 -0.15 0.03 0.00 0.01 0.00 0.00 42.46 42.37 1dmo s ILE 63 CO 0.11 0.07 0.84 -0.62 0.00 0.00 0.00 174.94 175.35 1dmo s ASP 64 N 0.46 5.29 0.14 3.58 -1.08 -1.26 -0.82 116.67 122.97 1dmo s ASP 64 Ca -0.04 0.27 -0.18 0.00 -0.52 0.00 0.00 52.55 52.08 1dmo s ASP 64 Cb -0.07 -1.16 -0.00 0.00 -1.46 0.00 0.00 42.92 40.23 1dmo s ASP 64 CO -0.01 -1.18 1.77 0.15 0.52 0.00 0.00 175.17 176.42 1dmo h PHE 65 N -0.09 0.25 -0.36 -5.34 3.57 -1.97 -0.72 116.94 112.28 1dmo h PHE 65 Ca -0.44 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.10 1dmo h PHE 65 Cb 1.29 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.93 1dmo h PHE 65 CO 0.39 0.13 0.17 -1.00 -2.23 0.00 0.00 178.31 175.78 1dmo h PRO 66 N 0.29 0.35 -0.41 6.41 0.13 -1.94 -0.17 132.00 136.65 1dmo h PRO 66 Ca 0.12 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 65.24 1dmo h PRO 66 Cb 0.05 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.08 1dmo h PRO 66 CO -0.09 0.23 0.27 0.93 -0.23 0.00 0.00 178.00 179.12 1dmo h GLU 67 N 0.36 0.53 -0.13 0.86 4.39 -1.89 0.02 114.58 118.73 1dmo h GLU 67 Ca 0.15 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.71 1dmo h GLU 67 Cb 0.07 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1dmo h GLU 67 CO -0.11 0.35 -0.41 0.35 -1.16 0.00 0.00 179.01 178.03 1dmo h PHE 68 N 0.55 0.34 -0.44 4.33 3.04 0.34 -2.58 116.94 122.51 1dmo h PHE 68 Ca 0.15 -0.09 -0.04 0.00 3.98 0.00 0.00 57.97 61.97 1dmo h PHE 68 Cb -0.05 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.37 1dmo h PHE 68 CO -0.00 0.66 0.11 -0.07 -2.02 0.00 0.00 178.31 176.98 1dmo h LEU 69 N 0.24 0.67 0.23 0.59 3.38 0.67 0.10 115.31 121.20 1dmo h LEU 69 Ca 0.02 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.77 1dmo h LEU 69 Cb 0.83 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1dmo h LEU 69 CO 0.07 0.73 -0.29 0.74 0.09 0.00 0.00 178.44 179.78 1dmo h THR 70 N 0.59 0.39 -0.62 0.22 2.02 -1.14 0.73 112.91 115.09 1dmo h THR 70 Ca 0.14 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.27 1dmo h THR 70 Cb 0.32 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1dmo h THR 70 CO 0.00 0.00 0.17 0.24 0.37 0.00 0.00 175.52 176.30 1dmo h MET 71 N -0.57 0.95 0.00 6.66 2.86 -1.38 -1.08 114.93 122.37 1dmo h MET 71 Ca 0.00 -0.19 -0.07 0.00 -2.06 0.00 0.00 59.70 57.38 1dmo h MET 71 Cb 0.55 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 1dmo h MET 71 CO -0.10 0.83 -0.35 1.98 1.06 0.00 0.00 176.91 180.34 1dmo h MET 72 N 0.91 0.00 0.03 1.72 -1.53 -0.31 -2.93 114.93 112.83 1dmo h MET 72 Ca 0.20 0.00 -0.23 0.00 -3.44 0.00 0.00 59.70 56.23 1dmo h MET 72 Cb 0.29 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.32 1dmo h MET 72 CO -0.00 0.35 -1.08 0.00 0.14 0.00 0.00 176.91 176.31 1dmo h ALA 73 N 1.65 0.30 -0.68 0.39 0.00 0.12 -2.77 119.26 118.27 1dmo h ALA 73 Ca -0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 54.91 53.95 1dmo h ALA 73 Cb 0.80 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1dmo h ALA 73 CO 0.04 1.19 0.29 -0.09 0.00 0.00 0.00 179.25 180.68 1dmo h ARG 74 N 0.02 1.01 0.00 0.00 2.43 -1.04 1.31 114.38 118.11 1dmo h ARG 74 Ca -0.05 -0.18 -0.09 0.00 -0.81 0.00 0.00 59.98 58.85 1dmo h ARG 74 Cb 1.83 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 31.20 1dmo h ARG 74 CO 0.15 0.83 -0.44 -0.22 -1.51 0.00 0.00 179.97 178.78 1dmo h LYS 75 N 0.96 0.00 0.00 0.20 3.11 -1.61 -3.09 116.57 116.14 1dmo h LYS 75 Ca 0.23 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.07 1dmo h LYS 75 Cb 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.42 1dmo h LYS 75 CO -0.02 0.44 -0.81 -1.33 -2.81 0.00 0.00 179.45 174.92 1dmo n MET 76 N -3.32 0.15 -1.12 1.90 2.81 -0.89 -5.05 117.12 111.60 1dmo n MET 76 Ca 0.01 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 1dmo n MET 76 Cb 0.64 -1.56 0.00 0.00 -0.71 0.00 0.00 33.22 31.59 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 -1.76 -1.62 -1.02 0.03 4.81 0.44 -4.73 118.16 114.31 1dmo n LYS 77 Ca 0.04 1.51 -0.46 0.00 -0.87 0.00 0.00 58.31 58.52 1dmo n LYS 77 Cb 0.39 -1.44 -0.09 0.00 0.02 0.00 0.00 35.03 33.91 1dmo n LYS 77 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1dmo n ASP 78 N 0.56 0.64 -0.05 3.14 8.00 -1.20 -4.48 116.55 123.15 1dmo n ASP 78 Ca 0.00 0.59 0.00 0.00 0.71 0.00 0.00 54.79 56.09 1dmo n ASP 78 Cb 0.00 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 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 4.45 0.00 -3.04 -3.53 5.66 -1.26 -3.76 114.28 112.80 1dmo n THR 79 Ca 0.37 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 61.00 1dmo n THR 79 Cb -0.03 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.73 1dmo n THR 79 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1dmo n ASP 80 N -3.79 5.77 -0.23 1.09 5.75 -1.26 -4.82 116.55 119.06 1dmo n ASP 80 Ca 0.00 -3.49 -0.03 0.00 -0.01 0.00 0.00 54.79 51.26 1dmo n ASP 80 Cb 0.00 -1.05 0.16 0.00 -1.03 0.00 0.00 41.12 39.20 1dmo n ASP 80 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1dmo h SER 81 N 4.72 0.94 -0.99 -1.12 0.02 -1.88 -2.24 113.55 113.00 1dmo h SER 81 Ca 0.25 -0.10 0.26 0.00 -0.84 0.00 0.00 61.79 61.36 1dmo h SER 81 Cb 0.57 -0.24 -0.06 0.00 0.14 0.00 0.00 62.40 62.80 1dmo h SER 81 CO 1.15 0.80 0.68 -0.33 -1.14 0.00 0.00 176.83 177.98 1dmo h GLU 82 N 1.04 0.20 -0.61 3.45 5.08 -1.91 0.30 114.58 122.12 1dmo h GLU 82 Ca 0.25 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.54 1dmo h GLU 82 Cb 0.11 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1dmo h GLU 82 CO -0.03 0.14 0.15 0.93 -1.00 0.00 0.00 179.01 179.19 1dmo h GLU 83 N 0.21 0.95 -0.29 2.33 5.08 -1.81 0.38 114.58 121.43 1dmo h GLU 83 Ca 0.51 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 58.56 1dmo h GLU 83 Cb 1.61 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.71 1dmo h GLU 83 CO -0.13 0.85 -0.23 1.49 -1.00 0.00 0.00 179.01 179.99 1dmo h GLU 84 N 0.91 0.56 0.06 2.33 4.81 -0.52 -2.63 114.58 120.09 1dmo h GLU 84 Ca 0.20 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1dmo h GLU 84 Cb 0.32 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1dmo h GLU 84 CO -0.00 0.75 -0.03 0.82 -0.73 0.00 0.00 179.01 179.82 1dmo h ILE 85 N 0.50 1.25 -0.70 2.32 2.04 -1.00 -1.48 117.51 120.43 1dmo h ILE 85 Ca 0.07 -1.10 0.15 0.00 1.00 0.00 0.00 64.86 64.98 1dmo h ILE 85 Cb 0.67 1.96 -0.13 0.00 -0.74 0.00 0.00 36.82 38.58 1dmo h ILE 85 CO 0.05 0.27 -0.11 -0.09 0.00 0.00 0.00 178.15 178.27 1dmo h ARG 86 N -0.58 0.03 -0.57 2.37 2.43 -0.86 0.39 114.38 117.60 1dmo h ARG 86 Ca -0.01 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 1dmo h ARG 86 Cb 0.50 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 1dmo h ARG 86 CO 0.01 0.02 0.06 1.49 -1.51 0.00 0.00 179.97 180.05 1dmo h GLU 87 N 0.04 0.93 -1.03 0.20 4.81 -1.45 -2.35 114.58 115.73 1dmo h GLU 87 Ca 0.35 -0.24 0.28 0.00 -0.13 0.00 0.00 59.36 59.62 1dmo h GLU 87 Cb 0.57 -0.11 -0.12 0.00 0.63 0.00 0.00 28.75 29.71 1dmo h GLU 87 CO -0.68 0.89 0.62 0.00 -0.73 0.00 0.00 179.01 179.11 1dmo h ALA 88 N 1.19 1.99 0.04 2.92 0.00 0.88 0.48 119.26 126.75 1dmo h ALA 88 Ca 0.17 0.12 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 1dmo h ALA 88 Cb 0.43 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1dmo h ALA 88 CO 0.01 -0.48 -0.56 0.74 0.00 0.00 0.00 179.25 178.97 1dmo h PHE 89 N 0.46 0.49 -1.13 0.00 0.04 -0.96 -3.19 116.94 112.64 1dmo h PHE 89 Ca 0.66 -0.29 0.33 0.00 2.80 0.00 0.00 57.97 61.47 1dmo h PHE 89 Cb 1.46 -0.05 -0.05 0.00 2.20 0.00 0.00 35.95 39.52 1dmo h PHE 89 CO -0.01 1.14 0.81 -0.09 -0.60 0.00 0.00 178.31 179.57 1dmo h ARG 90 N -0.30 0.01 -0.92 1.51 2.43 -0.54 0.31 114.38 116.88 1dmo h ARG 90 Ca -0.08 -0.00 0.19 0.00 -0.81 0.00 0.00 59.98 59.28 1dmo h ARG 90 Cb 1.32 -0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.76 1dmo h ARG 90 CO 0.11 0.01 0.48 0.28 -1.51 0.00 0.00 179.97 179.34 1dmo h VAL 91 N 0.01 0.62 -1.06 0.20 2.07 -1.28 -1.02 116.25 115.79 1dmo h VAL 91 Ca 0.54 -0.20 -0.61 0.00 0.82 0.00 0.00 66.70 67.25 1dmo h VAL 91 Cb 2.15 -0.01 -0.38 0.00 -1.52 0.00 0.00 31.29 31.53 1dmo h VAL 91 CO -0.01 0.11 -0.19 0.49 0.02 0.00 0.00 177.57 177.99 1dmo n PHE 92 N -4.90 3.01 -2.87 1.57 3.01 0.11 -4.88 117.46 112.51 1dmo n PHE 92 Ca 0.21 -2.59 -0.43 0.00 1.01 0.00 0.00 57.45 55.64 1dmo n PHE 92 Cb 0.57 -0.67 0.00 0.00 -0.01 0.00 0.00 39.48 39.38 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 -0.71 5.64 -2.12 4.37 2.03 -0.39 -4.60 116.55 120.77 1dmo n ASP 93 Ca 0.49 -3.17 -0.15 0.00 0.52 0.00 0.00 54.79 52.48 1dmo n ASP 93 Cb 0.77 -1.41 -0.15 0.00 -0.72 0.00 0.00 41.12 39.62 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 3.12 2.12 -2.66 -0.67 5.02 -1.26 -4.30 118.16 119.52 1dmo n LYS 94 Ca 0.32 -1.27 -0.00 0.00 -2.02 0.00 0.00 58.31 55.33 1dmo n LYS 94 Cb 0.37 -2.05 0.02 0.00 -0.02 0.00 0.00 35.03 33.36 1dmo n LYS 94 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1dmo s ASP 95 N 1.71 -0.06 0.34 4.39 2.15 -1.26 -5.01 116.67 118.93 1dmo s ASP 95 Ca 0.66 -0.05 0.30 0.00 0.43 0.00 0.00 52.55 53.89 1dmo s ASP 95 Cb 0.33 0.07 1.03 0.00 -0.30 0.00 0.00 42.92 44.05 1dmo s ASP 95 CO -0.04 -0.00 0.94 0.61 -0.17 0.00 0.00 175.17 176.50 1dmo n GLY 96 N 3.11 -0.60 0.39 2.66 0.00 -1.26 -0.03 105.19 109.46 1dmo n GLY 96 Ca 0.07 0.41 0.29 0.00 0.00 0.00 0.00 46.02 46.79 1dmo n GLY 96 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1dmo h ASN 97 N 0.00 0.40 0.00 1.61 -0.00 -1.94 -3.44 115.58 112.20 1dmo h ASN 97 Ca 0.56 0.16 0.00 0.00 -0.00 0.00 0.00 56.30 57.02 1dmo h ASN 97 Cb 2.27 0.12 0.00 0.00 -0.00 0.00 0.00 38.32 40.72 1dmo h ASN 97 CO -0.01 -0.14 0.00 0.61 -0.00 0.00 0.00 177.43 177.89 1dmo n GLY 98 N -1.40 1.80 2.87 1.57 0.00 0.95 -5.11 105.19 105.87 1dmo n GLY 98 Ca 0.33 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.07 1dmo n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dmo s TYR 99 N -2.00 1.55 0.52 1.61 1.51 -1.24 -3.53 117.35 115.76 1dmo s TYR 99 Ca 0.00 -0.98 0.03 0.00 -1.01 0.00 0.00 57.07 55.11 1dmo s TYR 99 Cb 0.00 -1.24 0.03 0.00 -0.11 0.00 0.00 41.96 40.64 1dmo s TYR 99 CO 0.00 -0.59 0.72 0.96 -1.11 0.00 0.00 175.55 175.53 1dmo s ILE 100 N 1.68 2.75 -0.13 2.71 -4.36 -0.32 -4.65 121.20 118.88 1dmo s ILE 100 Ca 0.01 -0.76 -0.24 0.00 -0.26 0.00 0.00 60.65 59.39 1dmo s ILE 100 Cb -0.15 -2.98 -0.02 0.00 1.25 0.00 0.00 42.46 40.55 1dmo s ILE 100 CO -0.07 0.00 0.76 -0.94 0.24 0.00 0.00 174.94 174.93 1dmo s SER 101 N -4.41 6.94 0.25 4.36 1.04 -1.26 0.45 113.70 121.06 1dmo s SER 101 Ca 0.57 1.14 0.06 0.00 0.48 0.00 0.00 55.95 58.20 1dmo s SER 101 Cb -0.10 -2.43 0.33 0.00 0.10 0.00 0.00 66.02 63.92 1dmo s SER 101 CO 0.37 -0.28 0.98 0.00 0.98 0.00 0.00 173.24 175.29 1dmo n ALA 102 N 4.69 0.37 0.06 5.32 0.00 -1.26 -0.82 120.51 128.86 1dmo n ALA 102 Ca 0.02 0.06 -0.04 0.00 0.00 0.00 0.00 53.44 53.48 1dmo n ALA 102 Cb 0.50 -0.44 -0.02 0.00 0.00 0.00 0.00 19.45 19.49 1dmo n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dmo h ALA 103 N 0.71 -0.27 0.00 0.00 0.00 -1.93 -2.25 119.26 115.53 1dmo h ALA 103 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1dmo h ALA 103 Cb 0.89 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1dmo h ALA 103 CO 0.00 -0.25 0.10 0.93 0.00 0.00 0.00 179.25 180.03 1dmo h GLU 104 N -0.88 0.00 0.25 0.00 4.39 -1.38 -1.58 114.58 115.38 1dmo h GLU 104 Ca -0.02 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 1dmo h GLU 104 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1dmo h GLU 104 CO 0.04 0.00 -0.12 1.25 -1.16 0.00 0.00 179.01 179.02 1dmo h LEU 105 N 0.00 -0.28 -1.98 1.33 6.46 -1.31 -1.11 115.31 118.42 1dmo h LEU 105 Ca 0.00 -0.23 0.32 0.00 -0.12 0.00 0.00 57.88 57.84 1dmo h LEU 105 Cb 0.19 0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.15 1dmo h LEU 105 CO 0.00 0.21 0.80 -0.09 -0.62 0.00 0.00 178.44 178.74 1dmo h ARG 106 N -0.92 0.00 -0.01 1.25 2.43 -0.66 1.50 114.38 117.97 1dmo h ARG 106 Ca -0.03 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.93 1dmo h ARG 106 Cb 0.50 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1dmo h ARG 106 CO 0.06 0.00 -0.88 1.25 -1.51 0.00 0.00 179.97 178.88 1dmo h HIS 107 N 0.00 0.45 -0.39 2.20 2.76 -1.27 -3.17 115.15 115.73 1dmo h HIS 107 Ca 0.52 -0.24 -0.07 0.00 -2.20 0.00 0.00 60.37 58.38 1dmo h HIS 107 Cb 2.11 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 31.00 1dmo h HIS 107 CO 0.00 1.05 -0.04 0.28 -1.30 0.00 0.00 177.93 177.91 1dmo h VAL 108 N 0.18 1.23 0.00 5.26 2.07 0.34 -0.78 116.25 124.55 1dmo h VAL 108 Ca -0.06 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 1dmo h VAL 108 Cb 1.51 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1dmo h VAL 108 CO 0.14 0.33 -0.05 0.24 0.02 0.00 0.00 177.57 178.26 1dmo h MET 109 N 0.60 0.00 0.00 1.57 2.07 -1.26 0.78 114.93 118.70 1dmo h MET 109 Ca 0.12 0.00 -0.15 0.00 -2.07 0.00 0.00 59.70 57.59 1dmo h MET 109 Cb 0.45 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.15 1dmo h MET 109 CO 0.02 0.05 -1.01 1.15 1.07 0.00 0.00 176.91 178.19 1dmo h THR 110 N 0.00 0.81 -0.11 2.22 2.02 -1.20 -2.97 112.91 113.68 1dmo h THR 110 Ca -0.00 -2.29 -0.05 0.00 0.77 0.00 0.00 66.41 64.84 1dmo h THR 110 Cb 0.22 2.31 -0.00 0.00 -1.74 0.00 0.00 68.15 68.94 1dmo h THR 110 CO 0.01 0.46 -0.14 -1.13 0.37 0.00 0.00 175.52 175.09 1dmo h ASN 111 N 0.00 0.31 -0.17 4.18 -0.73 0.02 -3.16 115.58 116.03 1dmo h ASN 111 Ca -0.09 -0.51 -0.12 0.00 1.87 0.00 0.00 56.30 57.46 1dmo h ASN 111 Cb 1.55 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 40.04 1dmo h ASN 111 CO 0.07 0.76 -0.28 -0.07 -0.37 0.00 0.00 177.43 177.53 1dmo h LEU 112 N -0.13 0.67 -2.62 0.34 3.38 -1.51 -3.47 115.31 111.97 1dmo h LEU 112 Ca 0.01 -0.25 -0.57 0.00 0.09 0.00 0.00 57.88 57.16 1dmo h LEU 112 Cb 0.69 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 41.16 1dmo h LEU 112 CO 0.03 0.92 -0.96 0.61 0.09 0.00 0.00 178.44 179.13 1dmo n GLY 113 N -0.20 -0.41 0.00 0.83 0.00 -1.12 -4.92 105.19 99.37 1dmo n GLY 113 Ca -0.01 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1dmo n GLY 113 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1dmo n GLU 114 N -4.63 0.00 -2.15 1.61 0.28 -1.26 -4.94 120.64 109.55 1dmo n GLU 114 Ca -0.25 0.00 -0.00 0.00 -0.16 0.00 0.00 57.16 56.75 1dmo n GLU 114 Cb 0.65 0.00 0.05 0.00 1.43 0.00 0.00 31.44 33.57 1dmo n GLU 114 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1dmo n LYS 115 N 0.00 1.25 -3.75 3.44 4.76 -1.26 -4.98 118.16 117.61 1dmo n LYS 115 Ca 0.00 -3.00 -0.34 0.00 -2.87 0.00 0.00 58.31 52.10 1dmo n LYS 115 Cb 0.00 -1.08 -0.09 0.00 -1.84 0.00 0.00 35.03 32.02 1dmo n LYS 115 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1dmo s LEU 116 N -2.37 5.18 1.02 -0.35 1.43 -1.26 -5.07 118.68 117.25 1dmo s LEU 116 Ca 0.32 -3.46 -0.14 0.00 -1.03 0.00 0.00 54.13 49.82 1dmo s LEU 116 Cb 0.36 -1.80 0.11 0.00 0.03 0.00 0.00 46.19 44.88 1dmo s LEU 116 CO -0.08 -0.21 0.51 0.41 0.23 0.00 0.00 176.35 177.21 1dmo n THR 117 N 2.62 0.00 -0.26 5.49 -1.04 -1.26 -4.61 114.28 115.23 1dmo n THR 117 Ca 0.16 -0.22 -0.06 0.00 -2.04 0.00 0.00 64.05 61.89 1dmo n THR 117 Cb 0.36 -0.73 0.05 0.00 -1.82 0.00 0.00 70.33 68.19 1dmo n THR 117 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1dmo h ASP 118 N -1.91 0.88 -0.52 8.00 3.58 -1.98 -1.19 116.42 123.29 1dmo h ASP 118 Ca -0.48 -0.10 -0.04 0.00 0.42 0.00 0.00 57.03 56.83 1dmo h ASP 118 Cb 1.31 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 42.11 1dmo h ASP 118 CO 0.38 0.73 0.20 -0.33 -2.88 0.00 0.00 179.24 177.34 1dmo h GLU 119 N 0.97 0.83 -0.17 0.28 5.08 -1.99 -1.05 114.58 118.52 1dmo h GLU 119 Ca 0.25 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1dmo h GLU 119 Cb 0.04 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 1dmo h GLU 119 CO -0.04 0.70 -0.07 0.93 -1.00 0.00 0.00 179.01 179.52 1dmo h GLU 120 N 0.81 0.36 -0.16 2.33 5.08 -1.74 -1.43 114.58 119.83 1dmo h GLU 120 Ca 0.19 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1dmo h GLU 120 Cb 0.20 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1dmo h GLU 120 CO -0.01 0.66 -0.03 0.28 -1.00 0.00 0.00 179.01 178.90 1dmo h VAL 121 N 0.05 1.12 -0.14 3.13 2.07 -0.99 -2.35 116.25 119.14 1dmo h VAL 121 Ca 0.04 -0.50 -0.09 0.00 0.82 0.00 0.00 66.70 66.97 1dmo h VAL 121 Cb 0.54 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1dmo h VAL 121 CO 0.02 0.16 -0.28 -0.78 0.02 0.00 0.00 177.57 176.72 1dmo h ASP 122 N 0.23 0.49 -0.60 0.57 1.82 -0.99 0.23 116.42 118.15 1dmo h ASP 122 Ca 0.05 -0.55 0.08 0.00 -0.39 0.00 0.00 57.03 56.21 1dmo h ASP 122 Cb 0.21 -0.14 -0.04 0.00 0.68 0.00 0.00 39.33 40.04 1dmo h ASP 122 CO 0.01 0.95 0.40 -0.33 -1.61 0.00 0.00 179.24 178.66 1dmo h GLU 123 N 0.04 0.50 0.00 0.28 3.07 -0.85 -1.51 114.58 116.11 1dmo h GLU 123 Ca 0.01 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.36 58.75 1dmo h GLU 123 Cb 0.87 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.65 1dmo h GLU 123 CO 0.06 0.33 -0.49 1.98 -1.40 0.00 0.00 179.01 179.50 1dmo h MET 124 N 0.52 0.00 0.00 2.33 4.05 -1.34 -3.27 114.93 117.22 1dmo h MET 124 Ca 0.27 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.69 1dmo h MET 124 Cb 0.38 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.18 1dmo h MET 124 CO -0.08 0.92 0.34 0.82 0.23 0.00 0.00 176.91 179.14 1dmo h ILE 125 N -1.00 0.00 -0.52 1.77 2.04 -0.33 0.26 117.51 119.73 1dmo h ILE 125 Ca -0.13 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.68 1dmo h ILE 125 Cb 1.05 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1dmo h ILE 125 CO -0.08 0.00 0.13 -0.09 0.00 0.00 0.00 178.15 178.11 1dmo h ARG 126 N 0.00 0.79 -0.58 2.37 9.65 -1.33 -2.69 114.38 122.59 1dmo h ARG 126 Ca 0.00 -0.15 -0.20 0.00 -1.10 0.00 0.00 59.98 58.53 1dmo h ARG 126 Cb 0.68 -0.12 -0.12 0.00 -1.39 0.00 0.00 29.97 29.02 1dmo h ARG 126 CO 0.00 0.71 0.18 -1.91 2.80 0.00 0.00 179.97 181.75 1dmo n GLU 127 N -4.29 2.96 -0.31 0.20 0.00 0.92 -4.68 120.64 115.44 1dmo n GLU 127 Ca 0.04 -3.06 0.00 0.00 0.00 0.00 0.00 57.16 54.14 1dmo n GLU 127 Cb 0.22 -2.04 0.00 0.00 0.00 0.00 0.00 31.44 29.61 1dmo n GLU 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1dmo n ALA 128 N -0.57 3.26 -4.07 4.31 0.00 -1.02 -4.76 120.51 117.66 1dmo n ALA 128 Ca 0.37 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.40 1dmo n ALA 128 Cb 1.24 -1.12 0.01 0.00 0.00 0.00 0.00 19.45 19.57 1dmo n ALA 128 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1dmo n ASN 129 N 1.33 -3.17 -0.01 0.00 6.94 -1.26 -4.68 115.26 114.40 1dmo n ASN 129 Ca 0.00 -1.19 -0.06 0.00 -0.02 0.00 0.00 54.58 53.31 1dmo n ASN 129 Cb 0.42 -1.43 -0.13 0.00 -2.36 0.00 0.00 39.78 36.28 1dmo n ASN 129 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1dmo n ILE 130 N -4.66 1.45 -0.98 1.53 5.41 -1.26 -4.83 119.36 116.01 1dmo n ILE 130 Ca -0.12 -0.77 -0.02 0.00 1.00 0.00 0.00 62.75 62.84 1dmo n ILE 130 Cb 0.52 -0.89 -0.01 0.00 -0.71 0.00 0.00 39.64 38.55 1dmo n ILE 130 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1dmo n ASP 131 N -2.96 -0.68 -2.23 4.38 9.92 -1.26 -2.63 116.55 121.09 1dmo n ASP 131 Ca -0.16 0.06 -0.01 0.00 -0.53 0.00 0.00 54.79 54.14 1dmo n ASP 131 Cb 0.99 -1.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.46 1dmo n ASP 131 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1dmo n GLY 132 N -0.03 -2.87 0.00 0.44 0.00 -1.26 -4.99 105.19 96.48 1dmo n GLY 132 Ca -0.02 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1dmo n GLY 132 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dmo n ASP 133 N 0.16 0.00 -0.73 1.61 8.00 -1.08 -5.04 116.55 119.48 1dmo n ASP 133 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.52 1dmo n ASP 133 Cb 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 1dmo n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dmo n GLY 134 N 0.00 0.55 3.22 0.44 0.00 -1.26 -5.09 105.19 103.05 1dmo n GLY 134 Ca 0.00 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 1dmo n GLY 134 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1dmo s GLN 135 N -3.18 0.61 -0.17 1.61 -2.07 -1.26 -4.50 119.66 110.70 1dmo s GLN 135 Ca 0.00 -0.12 -0.08 0.00 -1.82 0.00 0.00 55.36 53.34 1dmo s GLN 135 Cb 0.00 0.27 0.07 0.00 -1.09 0.00 0.00 33.01 32.26 1dmo s GLN 135 CO 0.00 -0.16 0.38 0.08 -1.32 0.00 0.00 175.29 174.27 1dmo s VAL 136 N -1.12 -0.25 -1.15 3.63 1.01 0.17 -4.51 120.40 118.18 1dmo s VAL 136 Ca -0.12 0.14 -0.23 0.00 0.00 0.00 0.00 61.98 61.77 1dmo s VAL 136 Cb -0.05 -0.58 -0.09 0.00 0.00 0.00 0.00 36.38 35.66 1dmo s VAL 136 CO 0.03 0.06 1.95 0.21 0.00 0.00 0.00 175.10 177.35 1dmo s ASN 137 N 1.84 4.94 0.53 3.32 3.04 -1.26 -1.18 114.94 126.18 1dmo s ASN 137 Ca -0.06 -1.53 0.38 0.00 0.04 0.00 0.00 52.86 51.69 1dmo s ASN 137 Cb -0.10 -2.59 1.31 0.00 -1.54 0.00 0.00 41.25 38.34 1dmo s ASN 137 CO -0.12 -3.15 1.35 0.00 -3.04 0.00 0.00 177.10 172.14 1dmo n TYR 138 N 14.67 0.00 0.22 0.43 0.18 -1.23 -0.18 117.16 131.25 1dmo n TYR 138 Ca 0.44 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 60.13 1dmo n TYR 138 Cb 0.47 -0.38 -0.04 0.00 -0.38 0.00 0.00 39.34 39.01 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 -0.59 -0.84 -3.48 5.08 -1.84 -1.02 114.58 111.89 1dmo h GLU 139 Ca 0.71 0.04 0.22 0.00 -1.00 0.00 0.00 59.36 59.33 1dmo h GLU 139 Cb 3.21 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 32.54 1dmo h GLU 139 CO -0.01 -0.39 0.58 0.93 -1.00 0.00 0.00 179.01 179.12 1dmo h GLU 140 N -0.97 0.19 -0.02 2.33 4.39 -0.95 0.20 114.58 119.74 1dmo h GLU 140 Ca -0.06 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 1dmo h GLU 140 Cb 0.47 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1dmo h GLU 140 CO 0.10 0.13 0.01 0.35 -1.16 0.00 0.00 179.01 178.44 1dmo h PHE 141 N 0.20 0.04 0.00 4.33 3.57 -1.13 0.21 116.94 124.15 1dmo h PHE 141 Ca 0.42 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.92 1dmo h PHE 141 Cb 1.33 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.06 1dmo h PHE 141 CO -0.00 0.16 0.20 0.28 -2.23 0.00 0.00 178.31 176.72 1dmo h VAL 142 N -0.10 0.00 0.06 1.41 2.07 0.77 -0.43 116.25 120.03 1dmo h VAL 142 Ca 0.01 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 67.22 1dmo h VAL 142 Cb 0.14 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1dmo h VAL 142 CO -0.00 0.00 -1.68 0.00 0.02 0.00 0.00 177.57 175.91 1dmo n GLN 143 N -2.68 0.66 0.07 1.57 6.02 -0.21 -4.24 117.38 118.58 1dmo n GLN 143 Ca -0.02 0.41 -0.12 0.00 -0.01 0.00 0.00 57.00 57.26 1dmo n GLN 143 Cb 0.24 -1.72 -0.06 0.00 1.02 0.00 0.00 30.24 29.72 1dmo n GLN 143 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1dmo h MET 144 N -0.46 -0.19 0.00 -1.09 2.86 0.92 0.08 114.93 117.06 1dmo h MET 144 Ca -0.40 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 1dmo h MET 144 Cb 1.68 0.04 0.00 0.00 0.06 0.00 0.00 31.60 33.39 1dmo h MET 144 CO -0.07 -0.12 0.57 0.52 1.06 0.00 0.00 176.91 178.87 1dmo h MET 145 N -0.19 0.00 -2.41 1.72 2.86 -1.47 -2.53 114.93 112.91 1dmo h MET 145 Ca 0.02 0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 57.07 1dmo h MET 145 Cb 0.21 0.00 -0.39 0.00 0.06 0.00 0.00 31.60 31.48 1dmo h MET 145 CO -0.07 0.00 -0.91 0.25 1.06 0.00 0.00 176.91 177.25 1dmo n THR 146 N -2.35 -0.35 -2.22 2.22 -2.24 0.01 -5.07 114.28 104.29 1dmo n THR 146 Ca -0.01 -3.93 -0.38 0.00 -2.27 0.00 0.00 64.05 57.46 1dmo n THR 146 Cb 0.59 -1.84 -0.03 0.00 -2.10 0.00 0.00 70.33 66.94 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 -0.65 2.31 0.00 6.98 0.00 -0.96 -4.88 121.76 124.56 1dmo s ALA 147 Ca 0.32 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.22 1dmo s ALA 147 Cb 0.06 -4.34 0.00 0.00 0.00 0.00 0.00 23.12 18.84 1dmo s ALA 147 CO -0.16 -3.82 0.00 1.17 0.00 0.00 0.00 175.76 172.95