#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 -5.98 -4.59 0.00 5.75 -1.26 -4.87 116.55 105.60 1dmo n ASP 2 Ca 0.00 0.09 -0.29 0.00 -0.01 0.00 0.00 54.79 54.58 1dmo n ASP 2 Cb 0.00 -1.67 0.20 0.00 -1.03 0.00 0.00 41.12 38.62 1dmo n ASP 2 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1dmo s GLN 3 N -1.84 0.08 -0.34 0.11 2.00 -1.26 -4.25 119.66 114.16 1dmo s GLN 3 Ca 0.22 1.07 -0.25 0.00 -2.00 0.00 0.00 55.36 54.40 1dmo s GLN 3 Cb -0.02 -1.65 0.04 0.00 0.80 0.00 0.00 33.01 32.17 1dmo s GLN 3 CO 0.51 -3.11 0.47 1.28 -0.50 0.00 0.00 175.29 173.94 1dmo n LEU 4 N -4.52 -4.04 -4.93 3.68 4.77 -1.26 -4.95 117.00 105.75 1dmo n LEU 4 Ca 0.07 0.19 -0.25 0.00 -0.03 0.00 0.00 56.01 55.98 1dmo n LEU 4 Cb 0.54 -2.02 0.03 0.00 -2.33 0.00 0.00 43.42 39.63 1dmo n LEU 4 CO 0.54 -0.93 0.46 -0.89 -1.33 0.00 0.00 177.39 175.25 1dmo s THR 5 N -1.57 3.43 0.30 -5.08 2.01 -1.26 -4.90 115.64 108.57 1dmo s THR 5 Ca 0.26 -0.24 0.05 0.00 0.31 0.00 0.00 61.69 62.07 1dmo s THR 5 Cb -0.03 -3.34 0.29 0.00 0.01 0.00 0.00 72.50 69.42 1dmo s THR 5 CO 0.67 -0.31 1.72 -0.33 -0.69 0.00 0.00 174.62 175.67 1dmo h GLU 6 N -0.06 0.51 -0.32 4.92 5.08 -1.95 0.12 114.58 122.88 1dmo h GLU 6 Ca -0.45 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 57.89 1dmo h GLU 6 Cb 1.27 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1dmo h GLU 6 CO 0.59 0.34 0.19 1.49 -1.00 0.00 0.00 179.01 180.61 1dmo h GLU 7 N 0.52 0.38 -0.99 2.33 4.81 -1.98 0.16 114.58 119.82 1dmo h GLU 7 Ca 0.58 -0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.91 1dmo h GLU 7 Cb 1.06 -0.09 -0.08 0.00 0.63 0.00 0.00 28.75 30.27 1dmo h GLU 7 CO -0.48 0.25 0.62 1.96 -0.73 0.00 0.00 179.01 180.64 1dmo h GLN 8 N 0.39 0.94 0.00 1.92 1.08 -1.13 0.57 115.11 118.88 1dmo h GLN 8 Ca 0.13 -0.06 -0.06 0.00 -1.45 0.00 0.00 58.65 57.21 1dmo h GLN 8 Cb -0.01 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.20 1dmo h GLN 8 CO -0.05 0.62 -0.29 0.82 -0.95 0.00 0.00 178.83 178.98 1dmo h ILE 9 N 0.96 0.68 0.05 2.54 2.04 -0.59 -0.83 117.51 122.36 1dmo h ILE 9 Ca 0.49 -1.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.02 1dmo h ILE 9 Cb 0.50 1.87 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 1dmo h ILE 9 CO -0.25 0.28 -0.03 0.00 0.00 0.00 0.00 178.15 178.16 1dmo h ALA 10 N 1.71 -0.07 -0.20 1.87 0.00 0.28 -2.47 119.26 120.38 1dmo h ALA 10 Ca -0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1dmo h ALA 10 Cb 0.84 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1dmo h ALA 10 CO 0.04 -0.14 0.07 1.49 0.00 0.00 0.00 179.25 180.70 1dmo h GLU 11 N -0.87 0.27 0.67 0.00 4.81 -0.50 -0.60 114.58 118.36 1dmo h GLU 11 Ca -0.01 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1dmo h GLU 11 Cb 0.65 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.97 1dmo h GLU 11 CO 0.01 0.24 -0.36 0.74 -0.73 0.00 0.00 179.01 178.92 1dmo h PHE 12 N 0.27 -0.93 -0.79 0.92 -1.00 -1.15 -1.52 116.94 112.74 1dmo h PHE 12 Ca 0.07 -0.02 0.07 0.00 2.81 0.00 0.00 57.97 60.90 1dmo h PHE 12 Cb 0.08 0.32 -0.05 0.00 3.61 0.00 0.00 35.95 39.91 1dmo h PHE 12 CO 0.00 -0.56 0.52 -0.22 -1.61 0.00 0.00 178.31 176.44 1dmo h LYS 13 N -0.94 0.81 -0.57 1.51 3.64 -0.94 0.71 116.57 120.78 1dmo h LYS 13 Ca -0.09 -0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.35 1dmo h LYS 13 Cb 0.74 -0.18 -0.09 0.00 -0.41 0.00 0.00 32.23 32.29 1dmo h LYS 13 CO 0.12 0.54 0.06 1.49 -2.27 0.00 0.00 179.45 179.39 1dmo h GLU 14 N 0.83 0.18 0.25 1.90 4.81 -0.37 1.07 114.58 123.25 1dmo h GLU 14 Ca 0.35 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.55 1dmo h GLU 14 Cb 0.28 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1dmo h GLU 14 CO -0.12 0.12 -0.12 0.00 -0.73 0.00 0.00 179.01 178.15 1dmo h ALA 15 N 1.48 -0.34 -0.29 2.92 0.00 -0.08 0.13 119.26 123.08 1dmo h ALA 15 Ca 0.30 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.12 1dmo h ALA 15 Cb 0.45 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1dmo h ALA 15 CO -0.43 -0.53 0.50 0.35 0.00 0.00 0.00 179.25 179.14 1dmo h PHE 16 N -0.65 0.00 0.07 0.00 3.57 0.29 0.53 116.94 120.75 1dmo h PHE 16 Ca -0.03 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.24 1dmo h PHE 16 Cb 0.46 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1dmo h PHE 16 CO 0.02 0.00 -1.19 1.03 -2.23 0.00 0.00 178.31 175.94 1dmo h SER 17 N 0.00 0.23 -1.10 0.41 0.87 0.19 -3.29 113.55 110.87 1dmo h SER 17 Ca 0.14 -0.79 0.32 0.00 -1.23 0.00 0.00 61.79 60.23 1dmo h SER 17 Cb 1.15 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.99 1dmo h SER 17 CO -0.00 1.51 0.92 -0.07 -0.53 0.00 0.00 176.83 178.65 1dmo h LEU 18 N -0.57 0.00 -7.33 2.23 3.38 0.15 -2.49 115.31 110.67 1dmo h LEU 18 Ca -0.28 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.05 1dmo h LEU 18 Cb 1.54 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.89 1dmo h LEU 18 CO -0.02 0.00 -0.58 -0.36 0.09 0.00 0.00 178.44 177.57 1dmo s PHE 19 N -4.75 3.30 0.00 1.13 0.08 -0.94 -4.71 117.98 112.09 1dmo s PHE 19 Ca -0.04 -3.18 0.00 0.00 0.12 0.00 0.00 56.93 53.83 1dmo s PHE 19 Cb 0.20 -2.84 0.00 0.00 -0.57 0.00 0.00 43.02 39.81 1dmo s PHE 19 CO 0.69 -0.71 0.24 -3.47 -0.10 0.00 0.00 175.22 171.87 1dmo n ASP 20 N 2.87 -0.04 0.00 1.36 2.03 -0.94 -4.68 116.55 117.14 1dmo n ASP 20 Ca 0.09 -0.48 0.01 0.00 0.52 0.00 0.00 54.79 54.93 1dmo n ASP 20 Cb 0.33 0.01 0.07 0.00 -0.72 0.00 0.00 41.12 40.81 1dmo n ASP 20 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1dmo n LYS 21 N 0.00 0.49 0.00 -0.67 4.81 -1.26 -3.82 118.16 117.71 1dmo n LYS 21 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1dmo n LYS 21 Cb 0.24 -1.07 0.00 0.00 0.02 0.00 0.00 35.03 34.22 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 -0.57 0.00 0.00 3.14 5.68 -1.26 -5.00 116.55 118.54 1dmo n ASP 22 Ca 0.02 0.66 0.00 0.00 -0.50 0.00 0.00 54.79 54.96 1dmo n ASP 22 Cb 0.01 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 39.65 1dmo n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dmo n GLY 23 N 0.22 -0.35 0.00 6.12 0.00 -1.25 -5.04 105.19 104.89 1dmo n GLY 23 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1dmo n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1dmo n ASP 24 N 0.00 0.00 -0.04 1.61 5.68 -1.26 -5.00 116.55 117.53 1dmo n ASP 24 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1dmo n ASP 24 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1dmo n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dmo n GLY 25 N 0.00 0.88 3.50 6.12 0.00 -1.26 -5.06 105.19 109.37 1dmo n GLY 25 Ca 0.00 -0.60 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.09 0.02 0.16 2.61 -4.23 -1.26 -4.22 115.64 106.64 1dmo s THR 26 Ca 0.00 -1.31 0.07 0.00 -1.18 0.00 0.00 61.69 59.27 1dmo s THR 26 Cb 0.00 -2.01 -0.04 0.00 1.34 0.00 0.00 72.50 71.79 1dmo s THR 26 CO 0.00 -0.10 -0.14 0.27 -0.54 0.00 0.00 174.62 174.11 1dmo s ILE 27 N -3.98 1.56 0.07 2.99 -4.36 0.22 -4.76 121.20 112.93 1dmo s ILE 27 Ca 0.19 -1.99 -0.05 0.00 -0.26 0.00 0.00 60.65 58.55 1dmo s ILE 27 Cb 0.01 -1.83 -0.05 0.00 1.25 0.00 0.00 42.46 41.84 1dmo s ILE 27 CO 0.05 -0.51 0.30 0.42 0.24 0.00 0.00 174.94 175.43 1dmo s THR 28 N -2.60 5.27 0.39 8.37 -4.23 -1.26 -0.05 115.64 121.53 1dmo s THR 28 Ca 0.16 0.00 0.33 0.00 -1.18 0.00 0.00 61.69 61.01 1dmo s THR 28 Cb -0.02 -3.60 0.50 0.00 1.34 0.00 0.00 72.50 70.71 1dmo s THR 28 CO 0.05 0.20 1.18 0.35 -0.54 0.00 0.00 174.62 175.86 1dmo n THR 29 N 0.57 -0.07 -0.15 3.99 -2.24 -1.26 0.15 114.28 115.28 1dmo n THR 29 Ca -0.07 1.21 -0.10 0.00 -2.27 0.00 0.00 64.05 62.82 1dmo n THR 29 Cb 0.52 -2.00 -0.01 0.00 -2.10 0.00 0.00 70.33 66.75 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 0.78 -0.00 -0.78 2.10 -1.95 -2.55 116.57 114.18 1dmo h LYS 30 Ca 0.69 -0.25 0.00 0.00 -2.00 0.00 0.00 60.65 59.10 1dmo h LYS 30 Cb 2.61 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 33.87 1dmo h LYS 30 CO -0.13 0.84 -0.03 0.39 -2.00 0.00 0.00 179.45 178.52 1dmo n GLU 31 N -4.39 0.04 0.05 0.07 -0.58 0.41 -4.11 120.64 112.12 1dmo n GLU 31 Ca 0.00 -0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.71 1dmo n GLU 31 Cb 0.30 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.65 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 0.01 -0.17 -1.24 -4.62 5.85 -0.92 -1.66 115.31 112.56 1dmo h LEU 32 Ca 0.00 0.01 0.43 0.00 0.84 0.00 0.00 57.88 59.17 1dmo h LEU 32 Cb 0.48 0.05 -0.15 0.00 0.37 0.00 0.00 40.66 41.42 1dmo h LEU 32 CO 0.00 -0.09 0.74 1.23 -0.34 0.00 0.00 178.44 179.98 1dmo h GLY 33 N -0.14 1.71 1.09 3.75 0.00 -1.71 1.26 103.07 109.03 1dmo h GLY 33 Ca -0.01 -0.13 -0.11 0.00 0.00 0.00 0.00 47.33 47.08 1dmo h GLY 33 CO 0.00 -0.57 -0.06 -0.84 0.00 0.00 0.00 176.54 175.07 1dmo h THR 34 N 0.05 1.27 -0.07 4.70 2.02 -1.66 -1.80 112.91 117.42 1dmo h THR 34 Ca 0.84 -1.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 1dmo h THR 34 Cb 2.48 0.89 -0.00 0.00 -1.74 0.00 0.00 68.15 69.78 1dmo h THR 34 CO -0.56 0.44 -0.01 0.58 0.37 0.00 0.00 175.52 176.34 1dmo h VAL 35 N 0.94 1.28 -0.73 3.16 2.07 0.25 -2.31 116.25 120.91 1dmo h VAL 35 Ca 0.15 -0.87 0.10 0.00 0.82 0.00 0.00 66.70 66.90 1dmo h VAL 35 Cb 0.63 1.73 -0.05 0.00 -1.52 0.00 0.00 31.29 32.08 1dmo h VAL 35 CO 0.04 0.24 0.48 0.24 0.02 0.00 0.00 177.57 178.59 1dmo h MET 36 N -0.19 0.59 -0.08 1.57 2.86 -1.15 0.58 114.93 119.10 1dmo h MET 36 Ca 0.02 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.52 1dmo h MET 36 Cb 0.39 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 1dmo h MET 36 CO 0.01 0.39 -0.42 -0.09 1.06 0.00 0.00 176.91 177.85 1dmo h ARG 37 N 0.60 0.19 -0.14 1.72 2.43 -1.09 -3.12 114.38 114.98 1dmo h ARG 37 Ca 0.34 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.36 1dmo h ARG 37 Cb 0.51 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1dmo h ARG 37 CO -0.12 0.58 -0.16 1.03 -1.51 0.00 0.00 179.97 179.80 1dmo h SER 38 N 0.16 0.37 -0.93 -3.80 0.87 -0.35 -3.13 113.55 106.75 1dmo h SER 38 Ca 0.01 -0.50 0.26 0.00 -1.23 0.00 0.00 61.79 60.34 1dmo h SER 38 Cb 0.81 -0.11 -0.14 0.00 -0.44 0.00 0.00 62.40 62.53 1dmo h SER 38 CO 0.06 0.79 0.37 -0.07 -0.53 0.00 0.00 176.83 177.45 1dmo h LEU 39 N -0.04 0.21 0.00 2.23 4.07 -1.32 -3.44 115.31 117.02 1dmo h LEU 39 Ca 0.02 0.19 0.00 0.00 0.08 0.00 0.00 57.88 58.17 1dmo h LEU 39 Cb 0.70 0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.65 1dmo h LEU 39 CO 0.04 -0.13 0.00 0.61 -1.08 0.00 0.00 178.44 177.88 1dmo n GLY 40 N -1.35 0.73 1.11 0.83 0.00 -1.18 -5.08 105.19 100.25 1dmo n GLY 40 Ca 0.25 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.15 -2.96 1.61 1.13 -1.20 -5.02 117.38 110.80 1dmo n GLN 41 Ca 0.00 -0.64 -0.08 0.00 -1.94 0.00 0.00 57.00 54.33 1dmo n GLN 41 Cb 0.00 -0.34 -0.02 0.00 0.11 0.00 0.00 30.24 30.00 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 -2.33 -0.82 0.64 1.08 3.04 -1.26 -4.17 114.94 111.12 1dmo s ASN 42 Ca 0.21 -1.84 -0.17 0.00 0.04 0.00 0.00 52.86 51.10 1dmo s ASN 42 Cb -0.01 1.44 -0.01 0.00 -1.54 0.00 0.00 41.25 41.13 1dmo s ASN 42 CO 0.14 -0.10 1.16 -2.16 -3.04 0.00 0.00 177.10 173.11 1dmo s PRO 43 N 0.88 2.75 0.16 0.43 0.05 -1.26 -5.01 135.00 133.01 1dmo s PRO 43 Ca 0.28 1.63 -0.16 0.00 0.05 0.00 0.00 61.00 62.80 1dmo s PRO 43 Cb -0.01 -1.92 -0.07 0.00 0.05 0.00 0.00 34.50 32.55 1dmo s PRO 43 CO -0.08 -1.34 0.60 0.99 0.05 0.00 0.00 177.00 177.23 1dmo s THR 44 N -1.97 4.77 0.60 1.26 2.01 -1.26 -4.90 115.64 116.14 1dmo s THR 44 Ca 0.72 0.98 0.28 0.00 0.31 0.00 0.00 61.69 63.99 1dmo s THR 44 Cb -0.26 -3.78 0.38 0.00 0.01 0.00 0.00 72.50 68.85 1dmo s THR 44 CO 0.38 0.26 1.68 -0.33 -0.69 0.00 0.00 174.62 175.92 1dmo h GLU 45 N 3.60 0.00 0.00 4.92 5.08 -1.98 0.15 114.58 126.35 1dmo h GLU 45 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1dmo h GLU 45 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1dmo h GLU 45 CO 0.65 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.66 1dmo n ALA 46 N -2.28 -0.05 -0.35 3.43 0.00 -1.26 -2.34 120.51 117.65 1dmo n ALA 46 Ca 0.13 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.81 1dmo n ALA 46 Cb 0.96 0.00 0.49 0.00 0.00 0.00 0.00 19.45 20.90 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 0.36 -0.20 0.00 4.39 -1.84 1.08 114.58 118.36 1dmo h GLU 47 Ca 0.00 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.72 1dmo h GLU 47 Cb 0.00 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.52 1dmo h GLU 47 CO 0.00 0.24 -0.07 1.25 -1.16 0.00 0.00 179.01 179.27 1dmo h LEU 48 N 0.37 -0.26 -1.50 1.33 5.85 -0.82 0.83 115.31 121.12 1dmo h LEU 48 Ca 0.68 0.07 0.04 0.00 0.84 0.00 0.00 57.88 59.51 1dmo h LEU 48 Cb 1.65 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.80 1dmo h LEU 48 CO -0.44 -0.10 0.39 -0.61 -0.34 0.00 0.00 178.44 177.34 1dmo h GLN 49 N -0.04 0.62 -0.31 1.25 4.15 0.15 -0.44 115.11 120.51 1dmo h GLN 49 Ca 0.11 -0.04 -0.11 0.00 0.77 0.00 0.00 58.65 59.38 1dmo h GLN 49 Cb 0.20 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 1dmo h GLN 49 CO -0.23 0.41 -0.25 -0.44 -1.93 0.00 0.00 178.83 176.39 1dmo h ASP 50 N 0.64 0.62 -0.40 -0.69 3.32 0.44 -2.63 116.42 117.71 1dmo h ASP 50 Ca 0.24 -0.22 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 1dmo h ASP 50 Cb 0.16 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1dmo h ASP 50 CO -0.07 0.85 -0.11 0.24 -1.72 0.00 0.00 179.24 178.43 1dmo h MET 51 N 0.53 0.86 0.18 3.56 2.86 0.67 -2.96 114.93 120.63 1dmo h MET 51 Ca 0.08 -0.30 0.01 0.00 -2.06 0.00 0.00 59.70 57.43 1dmo h MET 51 Cb 0.71 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 1dmo h MET 51 CO 0.05 0.93 -0.24 0.82 1.06 0.00 0.00 176.91 179.53 1dmo h ILE 52 N 0.77 0.47 0.00 -1.22 5.03 -0.95 0.15 117.51 121.76 1dmo h ILE 52 Ca 0.13 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.87 1dmo h ILE 52 Cb 0.62 0.47 0.00 0.00 -3.03 0.00 0.00 36.82 34.89 1dmo h ILE 52 CO 0.04 0.00 0.12 0.59 -0.68 0.00 0.00 178.15 178.22 1dmo n ASN 53 N -5.36 0.39 -0.05 1.72 4.13 -1.06 -0.64 115.26 114.39 1dmo n ASN 53 Ca -0.08 0.63 -0.02 0.00 1.68 0.00 0.00 54.58 56.80 1dmo n ASN 53 Cb 0.27 -0.65 -0.01 0.00 -1.54 0.00 0.00 39.78 37.86 1dmo n ASN 53 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1dmo h GLU 54 N 0.00 0.00 0.00 3.52 4.22 -0.58 -3.36 114.58 118.38 1dmo h GLU 54 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1dmo h GLU 54 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1dmo h GLU 54 CO 0.00 0.00 0.00 1.33 -2.18 0.00 0.00 179.01 178.16 1dmo n VAL 55 N -4.09 0.88 0.48 0.32 0.24 -0.76 -2.76 118.33 112.63 1dmo n VAL 55 Ca -0.03 0.37 0.00 0.00 -2.04 0.00 0.00 64.34 62.65 1dmo n VAL 55 Cb 0.10 -1.33 0.00 0.00 -1.47 0.00 0.00 33.84 31.14 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 -2.27 0.70 0.09 -1.34 2.03 0.19 -2.70 116.55 113.25 1dmo n ASP 56 Ca 0.01 -0.96 0.11 0.00 0.52 0.00 0.00 54.79 54.48 1dmo n ASP 56 Cb 0.18 -0.24 -0.01 0.00 -0.72 0.00 0.00 41.12 40.33 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 0.38 2.59 -0.16 -1.67 0.00 -1.11 -4.15 120.51 116.38 1dmo n ALA 57 Ca 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 53.44 53.16 1dmo n ALA 57 Cb 0.15 -1.08 0.07 0.00 0.00 0.00 0.00 19.45 18.59 1dmo n ALA 57 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1dmo h ASP 58 N 0.00 0.06 0.00 0.00 3.32 -1.82 -3.46 116.42 114.52 1dmo h ASP 58 Ca 0.00 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1dmo h ASP 58 Cb 0.98 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1dmo h ASP 58 CO 0.00 0.06 0.00 0.61 -1.72 0.00 0.00 179.24 178.19 1dmo n GLY 59 N -1.28 3.76 0.00 2.75 0.00 -1.26 -5.02 105.19 104.14 1dmo n GLY 59 Ca 0.06 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1dmo n GLY 59 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1dmo n ASN 60 N 0.00 0.00 0.00 1.61 5.15 -1.26 -5.06 115.26 115.70 1dmo n ASN 60 Ca 0.00 0.01 0.00 0.00 -0.60 0.00 0.00 54.58 53.99 1dmo n ASN 60 Cb 0.00 -0.02 0.00 0.00 -0.53 0.00 0.00 39.78 39.23 1dmo n ASN 60 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1dmo n GLY 61 N 2.47 0.36 3.64 8.20 0.00 -1.26 -5.03 105.19 113.56 1dmo n GLY 61 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1dmo n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dmo s THR 62 N 0.00 1.93 -0.03 2.61 -4.23 -1.26 -4.28 115.64 110.38 1dmo s THR 62 Ca 0.00 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.53 1dmo s THR 62 Cb 0.00 -2.45 0.01 0.00 1.34 0.00 0.00 72.50 71.40 1dmo s THR 62 CO 0.00 0.00 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.37 1dmo s ILE 63 N -2.92 0.73 0.45 2.99 1.01 0.93 -4.88 121.20 119.51 1dmo s ILE 63 Ca 0.67 -0.30 0.07 0.00 0.00 0.00 0.00 60.65 61.09 1dmo s ILE 63 Cb -0.18 -0.68 0.02 0.00 0.01 0.00 0.00 42.46 41.63 1dmo s ILE 63 CO 0.58 0.24 0.61 -0.62 0.00 0.00 0.00 174.94 175.76 1dmo s ASP 64 N 0.43 5.57 0.20 3.58 2.15 -1.26 -0.61 116.67 126.72 1dmo s ASP 64 Ca -0.07 -0.38 -0.11 0.00 0.43 0.00 0.00 52.55 52.42 1dmo s ASP 64 Cb -0.11 -0.65 0.22 0.00 -0.30 0.00 0.00 42.92 42.09 1dmo s ASP 64 CO 0.01 -0.85 1.74 0.15 -0.17 0.00 0.00 175.17 176.05 1dmo h PHE 65 N 0.53 0.33 0.54 -5.34 3.57 -1.98 -1.64 116.94 112.95 1dmo h PHE 65 Ca -0.40 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.11 1dmo h PHE 65 Cb 1.28 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.94 1dmo h PHE 65 CO 0.39 0.08 -0.44 -1.00 -2.23 0.00 0.00 178.31 175.11 1dmo h PRO 66 N 0.36 -0.94 -1.00 6.41 0.13 -1.95 -1.98 132.00 133.03 1dmo h PRO 66 Ca 0.27 0.06 0.21 0.00 -0.87 0.00 0.00 66.00 65.67 1dmo h PRO 66 Cb 0.32 0.21 -0.11 0.00 0.13 0.00 0.00 31.00 31.56 1dmo h PRO 66 CO -0.29 -0.62 0.61 0.93 -0.23 0.00 0.00 178.00 178.40 1dmo h GLU 67 N -0.97 0.66 -0.25 0.86 4.39 -1.92 0.59 114.58 117.94 1dmo h GLU 67 Ca -0.06 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.61 1dmo h GLU 67 Cb 0.82 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 1dmo h GLU 67 CO -0.01 0.44 0.17 0.35 -1.16 0.00 0.00 179.01 178.80 1dmo h PHE 68 N 0.68 0.27 0.20 4.33 3.57 -0.59 -2.44 116.94 122.97 1dmo h PHE 68 Ca 0.59 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 62.09 1dmo h PHE 68 Cb 1.03 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1dmo h PHE 68 CO -0.00 0.17 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.08 1dmo h LEU 69 N 0.29 -0.22 -0.85 0.59 3.38 0.77 -2.11 115.31 117.16 1dmo h LEU 69 Ca 0.10 -0.18 0.21 0.00 0.09 0.00 0.00 57.88 58.10 1dmo h LEU 69 Cb 0.03 0.06 -0.13 0.00 0.09 0.00 0.00 40.66 40.71 1dmo h LEU 69 CO -0.02 0.06 0.24 0.74 0.09 0.00 0.00 178.44 179.56 1dmo h THR 70 N -0.52 0.39 -0.63 0.22 2.02 -1.19 0.40 112.91 113.60 1dmo h THR 70 Ca -0.03 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 1dmo h THR 70 Cb 0.39 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 1dmo h THR 70 CO 0.04 0.05 0.28 0.24 0.37 0.00 0.00 175.52 176.50 1dmo h MET 71 N 0.26 0.93 -0.34 6.66 2.86 -1.29 -2.67 114.93 121.34 1dmo h MET 71 Ca 0.52 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.99 1dmo h MET 71 Cb 0.99 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.48 1dmo h MET 71 CO -0.60 0.77 0.18 0.52 1.06 0.00 0.00 176.91 178.84 1dmo h MET 72 N 0.88 0.48 -0.88 1.72 2.07 0.36 -1.31 114.93 118.24 1dmo h MET 72 Ca 0.21 -0.06 0.20 0.00 -2.07 0.00 0.00 59.70 57.99 1dmo h MET 72 Cb 0.17 -0.09 -0.12 0.00 -1.87 0.00 0.00 31.60 29.69 1dmo h MET 72 CO -0.02 0.40 0.40 0.00 1.07 0.00 0.00 176.91 178.76 1dmo h ALA 73 N 1.05 1.39 0.34 6.32 0.00 -0.51 0.66 119.26 128.50 1dmo h ALA 73 Ca 0.12 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1dmo h ALA 73 Cb 0.07 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1dmo h ALA 73 CO -0.02 -0.30 -0.16 -0.09 0.00 0.00 0.00 179.25 178.68 1dmo h ARG 74 N 0.44 -0.44 0.00 0.00 2.43 -1.08 2.22 114.38 117.95 1dmo h ARG 74 Ca 0.54 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.74 1dmo h ARG 74 Cb 0.98 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1dmo h ARG 74 CO -0.50 -0.15 0.00 1.17 -1.51 0.00 0.00 179.97 178.99 1dmo n LYS 75 N -5.18 0.08 0.00 0.20 0.00 -0.14 -0.48 118.16 112.65 1dmo n LYS 75 Ca -0.10 0.16 0.00 0.00 0.00 0.00 0.00 58.31 58.37 1dmo n LYS 75 Cb 0.26 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.79 1dmo n LYS 75 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1dmo n MET 76 N -1.18 0.07 0.00 1.64 2.81 0.21 -4.63 117.12 116.05 1dmo n MET 76 Ca 0.02 -0.63 0.02 0.00 -1.81 0.00 0.00 57.70 55.30 1dmo n MET 76 Cb 0.02 -0.89 0.07 0.00 -0.71 0.00 0.00 33.22 31.72 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 -0.11 0.01 -3.45 0.03 4.81 0.74 -2.70 118.16 117.48 1dmo n LYS 77 Ca 0.00 0.41 -0.27 0.00 -0.87 0.00 0.00 58.31 57.59 1dmo n LYS 77 Cb 0.12 -1.50 -0.09 0.00 0.02 0.00 0.00 35.03 33.59 1dmo n LYS 77 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1dmo n ASP 78 N -1.46 2.81 -4.87 3.14 2.03 -1.26 -5.08 116.55 111.86 1dmo n ASP 78 Ca 0.01 -3.23 -0.30 0.00 0.52 0.00 0.00 54.79 51.79 1dmo n ASP 78 Cb 0.04 -0.67 0.06 0.00 -0.72 0.00 0.00 41.12 39.82 1dmo n ASP 78 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1dmo s THR 79 N -1.98 3.17 -0.88 5.18 2.01 -1.10 -4.91 115.64 117.13 1dmo s THR 79 Ca 0.36 0.38 -0.25 0.00 0.31 0.00 0.00 61.69 62.50 1dmo s THR 79 Cb 0.12 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 1dmo s THR 79 CO -0.06 -0.50 1.94 1.51 -0.69 0.00 0.00 174.62 176.82 1dmo s ASP 80 N -4.33 5.16 0.00 3.53 1.47 -1.26 -4.75 116.67 116.49 1dmo s ASP 80 Ca 0.59 -0.59 0.00 0.00 1.18 0.00 0.00 52.55 53.73 1dmo s ASP 80 Cb -0.12 -2.56 0.00 0.00 -0.34 0.00 0.00 42.92 39.91 1dmo s ASP 80 CO 0.52 -2.71 0.14 -1.54 0.68 0.00 0.00 175.17 172.26 1dmo n SER 81 N 13.86 0.00 -0.56 2.11 3.41 -1.26 -3.41 113.62 127.77 1dmo n SER 81 Ca 0.38 0.00 0.45 0.00 -0.26 0.00 0.00 58.87 59.45 1dmo n SER 81 Cb 0.47 0.00 0.77 0.00 -0.26 0.00 0.00 64.21 65.19 1dmo n SER 81 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1dmo h GLU 82 N 0.00 0.02 0.14 4.33 5.08 -1.95 0.42 114.58 122.63 1dmo h GLU 82 Ca 0.00 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1dmo h GLU 82 Cb 0.00 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1dmo h GLU 82 CO 0.00 0.02 -0.15 0.93 -1.00 0.00 0.00 179.01 178.80 1dmo h GLU 83 N 0.02 -0.32 -0.70 2.33 5.08 -1.98 -0.68 114.58 118.34 1dmo h GLU 83 Ca 0.83 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 59.30 1dmo h GLU 83 Cb 3.16 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 32.43 1dmo h GLU 83 CO -0.11 -0.21 0.46 1.49 -1.00 0.00 0.00 179.01 179.65 1dmo h GLU 84 N -0.33 0.57 0.11 2.33 4.57 -0.48 -2.28 114.58 119.08 1dmo h GLU 84 Ca 0.01 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1dmo h GLU 84 Cb 0.32 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1dmo h GLU 84 CO -0.05 0.38 -0.05 0.82 -1.18 0.00 0.00 179.01 178.93 1dmo h ILE 85 N 0.59 1.04 -0.52 2.32 2.04 -1.08 -2.68 117.51 119.22 1dmo h ILE 85 Ca 0.32 -0.61 0.10 0.00 1.00 0.00 0.00 64.86 65.68 1dmo h ILE 85 Cb 0.47 1.43 -0.11 0.00 -0.74 0.00 0.00 36.82 37.87 1dmo h ILE 85 CO -0.11 0.15 -0.25 0.03 0.00 0.00 0.00 178.15 177.97 1dmo h ARG 86 N -0.43 -0.12 -0.67 2.37 3.08 -0.58 0.14 114.38 118.17 1dmo h ARG 86 Ca -0.01 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.15 1dmo h ARG 86 Cb 0.35 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.35 1dmo h ARG 86 CO 0.02 -0.08 0.27 1.49 -1.07 0.00 0.00 179.97 180.61 1dmo h GLU 87 N -0.13 0.45 -0.82 0.04 4.81 -1.47 0.32 114.58 117.79 1dmo h GLU 87 Ca 0.23 -0.03 0.21 0.00 -0.13 0.00 0.00 59.36 59.65 1dmo h GLU 87 Cb 0.50 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.73 1dmo h GLU 87 CO -0.60 0.30 0.57 0.00 -0.73 0.00 0.00 179.01 178.55 1dmo h ALA 88 N 1.45 2.47 0.17 2.92 0.00 -0.38 0.22 119.26 126.10 1dmo h ALA 88 Ca 0.34 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.92 1dmo h ALA 88 Cb 0.44 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1dmo h ALA 88 CO -0.32 -0.71 -1.56 0.74 0.00 0.00 0.00 179.25 177.40 1dmo h PHE 89 N 0.20 0.64 -0.51 0.00 0.04 0.07 -3.28 116.94 114.10 1dmo h PHE 89 Ca 0.41 -0.46 0.15 0.00 2.80 0.00 0.00 57.97 60.86 1dmo h PHE 89 Cb 1.30 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 39.40 1dmo h PHE 89 CO -0.00 1.49 0.37 0.07 -0.60 0.00 0.00 178.31 179.65 1dmo h ARG 90 N 0.10 0.00 -0.27 1.51 -0.00 0.12 0.20 114.38 116.04 1dmo h ARG 90 Ca -0.26 0.00 0.08 0.00 -0.00 0.00 0.00 59.98 59.79 1dmo h ARG 90 Cb 2.07 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 32.03 1dmo h ARG 90 CO 0.19 0.00 0.29 0.28 -0.00 0.00 0.00 179.97 180.74 1dmo h VAL 91 N 0.00 0.43 -0.52 0.08 2.07 -1.45 0.68 116.25 117.54 1dmo h VAL 91 Ca 0.24 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.45 1dmo h VAL 91 Cb 0.99 0.76 -0.19 0.00 -1.52 0.00 0.00 31.29 31.33 1dmo h VAL 91 CO -0.00 0.00 -0.09 0.49 0.02 0.00 0.00 177.57 177.99 1dmo n PHE 92 N -3.77 1.69 -2.62 1.57 3.01 0.70 -4.74 117.46 113.30 1dmo n PHE 92 Ca 0.04 -1.90 -0.33 0.00 1.01 0.00 0.00 57.45 56.27 1dmo n PHE 92 Cb 0.44 -0.59 -0.00 0.00 -0.01 0.00 0.00 39.48 39.31 1dmo n PHE 92 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1dmo n ASP 93 N -1.03 5.83 0.00 4.37 9.92 0.23 -4.47 116.55 131.39 1dmo n ASP 93 Ca 0.40 -3.72 0.00 0.00 -0.53 0.00 0.00 54.79 50.94 1dmo n ASP 93 Cb 1.01 -0.80 0.00 0.00 -0.64 0.00 0.00 41.12 40.69 1dmo n ASP 93 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1dmo n LYS 94 N -0.28 0.00 0.00 -1.24 5.02 -1.26 -4.28 118.16 116.12 1dmo n LYS 94 Ca 0.41 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 1dmo n LYS 94 Cb 0.38 -0.83 0.00 0.00 -0.02 0.00 0.00 35.03 34.56 1dmo n LYS 94 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1dmo n ASP 95 N -0.65 1.02 0.13 4.39 5.75 -1.26 -4.72 116.55 121.22 1dmo n ASP 95 Ca 0.00 -1.43 0.09 0.00 -0.01 0.00 0.00 54.79 53.44 1dmo n ASP 95 Cb 0.00 0.00 0.48 0.00 -1.03 0.00 0.00 41.12 40.57 1dmo n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dmo n GLY 96 N -0.22 -0.80 4.37 6.12 0.00 -1.26 -4.76 105.19 108.65 1dmo n GLY 96 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1dmo n GLY 96 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1dmo n ASN 97 N -2.12 0.00 0.00 1.61 5.15 -1.26 -3.56 115.26 115.08 1dmo n ASN 97 Ca -0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 1dmo n ASN 97 Cb 0.03 -0.10 0.00 0.00 -0.53 0.00 0.00 39.78 39.18 1dmo n ASN 97 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1dmo n GLY 98 N -0.87 0.00 2.72 8.20 0.00 -1.26 -5.13 105.19 108.84 1dmo n GLY 98 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.17 0.47 1.61 2.02 -1.23 -4.15 117.35 115.89 1dmo s TYR 99 Ca 0.00 0.09 0.05 0.00 -0.37 0.00 0.00 57.07 56.83 1dmo s TYR 99 Cb 0.00 -0.44 0.02 0.00 -0.40 0.00 0.00 41.96 41.14 1dmo s TYR 99 CO 0.00 -0.59 0.66 0.96 -1.57 0.00 0.00 175.55 175.01 1dmo s ILE 100 N 2.28 2.95 0.22 2.71 -4.36 -0.87 -4.61 121.20 119.52 1dmo s ILE 100 Ca 0.06 -0.84 -0.29 0.00 -0.26 0.00 0.00 60.65 59.32 1dmo s ILE 100 Cb -0.16 -3.04 -0.09 0.00 1.25 0.00 0.00 42.46 40.43 1dmo s ILE 100 CO -0.12 -0.02 0.91 -0.55 0.24 0.00 0.00 174.94 175.40 1dmo s SER 101 N -4.37 7.59 0.56 4.36 0.15 -1.26 -0.04 113.70 120.68 1dmo s SER 101 Ca 0.55 1.88 0.30 0.00 0.70 0.00 0.00 55.95 59.38 1dmo s SER 101 Cb -0.10 -2.59 1.64 0.00 -1.71 0.00 0.00 66.02 63.27 1dmo s SER 101 CO 0.35 0.16 2.15 0.00 1.20 0.00 0.00 173.24 177.10 1dmo h ALA 102 N 4.26 1.32 0.31 5.45 0.00 -1.82 -0.58 119.26 128.20 1dmo h ALA 102 Ca -0.45 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1dmo h ALA 102 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1dmo h ALA 102 CO 0.68 0.09 -0.15 0.00 0.00 0.00 0.00 179.25 179.86 1dmo h ALA 103 N 1.93 -0.47 -0.68 0.00 0.00 -1.93 -2.60 119.26 115.51 1dmo h ALA 103 Ca -0.00 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 54.99 1dmo h ALA 103 Cb 0.21 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1dmo h ALA 103 CO 0.01 -0.44 0.47 0.93 0.00 0.00 0.00 179.25 180.23 1dmo h GLU 104 N -0.99 0.16 -0.34 0.00 5.08 -1.94 0.13 114.58 116.69 1dmo h GLU 104 Ca -0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1dmo h GLU 104 Cb 0.32 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1dmo h GLU 104 CO 0.07 0.10 0.22 1.25 -1.00 0.00 0.00 179.01 179.65 1dmo h LEU 105 N 0.16 0.39 -1.67 1.33 6.46 -1.08 0.11 115.31 121.01 1dmo h LEU 105 Ca 0.33 -0.02 0.18 0.00 -0.12 0.00 0.00 57.88 58.24 1dmo h LEU 105 Cb 1.07 -0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 40.85 1dmo h LEU 105 CO -0.05 0.30 0.53 -0.09 -0.62 0.00 0.00 178.44 178.50 1dmo h ARG 106 N 0.45 0.29 0.00 1.25 2.43 -0.33 0.64 114.38 119.12 1dmo h ARG 106 Ca 0.12 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.12 1dmo h ARG 106 Cb -0.04 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 1dmo h ARG 106 CO -0.03 0.19 -0.76 1.25 -1.51 0.00 0.00 179.97 179.12 1dmo h HIS 107 N 0.30 0.00 0.00 2.20 2.76 -0.82 -3.05 115.15 116.54 1dmo h HIS 107 Ca 0.38 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.52 1dmo h HIS 107 Cb 1.06 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.01 1dmo h HIS 107 CO -0.00 0.76 -0.17 0.28 -1.30 0.00 0.00 177.93 177.50 1dmo h VAL 108 N 0.00 0.85 0.00 5.26 2.07 0.27 -1.25 116.25 123.45 1dmo h VAL 108 Ca -0.01 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 1dmo h VAL 108 Cb 1.40 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 1dmo h VAL 108 CO 0.10 0.17 -0.23 0.24 0.02 0.00 0.00 177.57 177.87 1dmo h MET 109 N 0.00 0.00 0.12 1.57 2.07 -1.28 -2.31 114.93 115.10 1dmo h MET 109 Ca -0.00 0.00 -0.29 0.00 -2.07 0.00 0.00 59.70 57.34 1dmo h MET 109 Cb 0.37 0.00 0.02 0.00 -1.87 0.00 0.00 31.60 30.12 1dmo h MET 109 CO 0.02 0.23 -1.23 1.15 1.07 0.00 0.00 176.91 178.15 1dmo h THR 110 N 0.00 1.33 0.00 2.22 2.02 -1.26 -3.03 112.91 114.18 1dmo h THR 110 Ca -0.00 -2.58 -0.12 0.00 0.77 0.00 0.00 66.41 64.48 1dmo h THR 110 Cb 1.05 2.73 -0.02 0.00 -1.74 0.00 0.00 68.15 70.18 1dmo h THR 110 CO 0.03 0.78 -0.59 0.78 0.37 0.00 0.00 175.52 176.89 1dmo h ASN 111 N 0.23 0.00 0.00 4.18 -0.26 -1.48 -3.36 115.58 114.89 1dmo h ASN 111 Ca -0.17 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.57 1dmo h ASN 111 Cb 1.91 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.17 1dmo h ASN 111 CO 0.23 0.59 0.00 -0.11 -1.06 0.00 0.00 177.43 177.07 1dmo n LEU 112 N -3.29 0.09 -0.40 1.61 7.94 -0.87 -5.02 117.00 117.06 1dmo n LEU 112 Ca 0.01 0.72 0.00 0.00 -1.11 0.00 0.00 56.01 55.63 1dmo n LEU 112 Cb 0.75 -0.47 0.00 0.00 0.53 0.00 0.00 43.42 44.23 1dmo n LEU 112 CO 0.41 -0.47 0.00 0.61 -1.11 0.00 0.00 177.39 176.83 1dmo n GLY 113 N 0.56 0.78 0.00 -3.96 0.00 -1.15 -5.10 105.19 96.32 1dmo n GLY 113 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.40 0.00 -0.66 1.61 1.02 -1.26 -5.01 120.64 115.95 1dmo n GLU 114 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1dmo n GLU 114 Cb 0.15 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.56 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 0.00 0.00 -3.80 3.49 4.81 -1.26 -5.03 118.16 116.37 1dmo n LYS 115 Ca 0.00 -0.75 -0.35 0.00 -0.87 0.00 0.00 58.31 56.34 1dmo n LYS 115 Cb 0.00 -0.17 -0.12 0.00 0.02 0.00 0.00 35.03 34.76 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 0.00 5.13 0.47 3.14 1.43 -1.26 -5.08 118.68 122.51 1dmo s LEU 116 Ca 0.04 -2.33 -0.21 0.00 -1.03 0.00 0.00 54.13 50.59 1dmo s LEU 116 Cb 0.04 -1.80 -0.11 0.00 0.03 0.00 0.00 46.19 44.35 1dmo s LEU 116 CO -0.02 -0.46 0.66 0.41 0.23 0.00 0.00 176.35 177.17 1dmo n THR 117 N 4.16 2.12 -0.37 5.49 -1.04 -1.26 -4.43 114.28 118.95 1dmo n THR 117 Ca 0.02 -0.50 0.28 0.00 -2.04 0.00 0.00 64.05 61.80 1dmo n THR 117 Cb 0.40 -0.73 0.55 0.00 -1.82 0.00 0.00 70.33 68.73 1dmo n THR 117 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1dmo h ASP 118 N 0.79 0.39 0.40 8.00 5.19 -1.97 0.17 116.42 129.39 1dmo h ASP 118 Ca -0.43 0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 56.08 1dmo h ASP 118 Cb 1.38 0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.97 1dmo h ASP 118 CO 0.51 -0.04 -0.19 -0.33 -3.12 0.00 0.00 179.24 176.07 1dmo h GLU 119 N 0.28 -0.52 -0.73 3.56 5.08 -2.01 -2.13 114.58 118.11 1dmo h GLU 119 Ca 0.70 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 59.14 1dmo h GLU 119 Cb 1.90 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 31.23 1dmo h GLU 119 CO -0.39 -0.26 0.48 0.93 -1.00 0.00 0.00 179.01 178.77 1dmo h GLU 120 N -0.72 0.81 -0.55 2.33 5.08 -1.13 -0.36 114.58 120.04 1dmo h GLU 120 Ca -0.06 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1dmo h GLU 120 Cb 0.51 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1dmo h GLU 120 CO 0.09 0.54 0.36 0.28 -1.00 0.00 0.00 179.01 179.28 1dmo h VAL 121 N 0.84 1.12 0.24 3.13 2.07 -0.56 -1.77 116.25 121.31 1dmo h VAL 121 Ca 0.30 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 1dmo h VAL 121 Cb 0.13 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1dmo h VAL 121 CO -0.09 0.13 -0.11 -0.78 0.02 0.00 0.00 177.57 176.74 1dmo h ASP 122 N 0.72 -0.27 -0.18 0.57 1.82 -0.39 0.24 116.42 118.92 1dmo h ASP 122 Ca 0.21 -0.22 0.05 0.00 -0.39 0.00 0.00 57.03 56.67 1dmo h ASP 122 Cb -0.04 0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.03 1dmo h ASP 122 CO -0.05 0.11 0.28 -0.08 -1.61 0.00 0.00 179.24 177.89 1dmo h GLU 123 N -0.69 0.00 0.13 0.28 4.57 -1.16 -0.48 114.58 117.24 1dmo h GLU 123 Ca -0.03 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.82 1dmo h GLU 123 Cb 0.48 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 1dmo h GLU 123 CO 0.05 0.00 -1.71 1.98 -1.18 0.00 0.00 179.01 178.15 1dmo h MET 124 N 0.00 0.28 -0.66 1.92 4.05 -0.98 -3.35 114.93 116.19 1dmo h MET 124 Ca 0.08 -0.47 -0.00 0.00 -0.28 0.00 0.00 59.70 59.03 1dmo h MET 124 Cb 0.64 0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 31.59 1dmo h MET 124 CO -0.00 1.23 0.40 0.82 0.23 0.00 0.00 176.91 179.58 1dmo h ILE 125 N -0.10 1.18 -0.92 1.77 2.04 0.85 0.25 117.51 122.58 1dmo h ILE 125 Ca -0.36 -0.40 0.27 0.00 1.00 0.00 0.00 64.86 65.37 1dmo h ILE 125 Cb 1.92 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 38.22 1dmo h ILE 125 CO 0.08 0.19 0.79 0.03 0.00 0.00 0.00 178.15 179.25 1dmo h ARG 126 N 0.90 0.00 0.00 2.37 3.08 -1.28 -3.14 114.38 116.31 1dmo h ARG 126 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1dmo h ARG 126 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1dmo h ARG 126 CO -0.05 0.00 0.00 -1.91 -1.07 0.00 0.00 179.97 176.94 1dmo n GLU 127 N -3.86 0.00 -1.78 0.04 0.00 -0.02 -4.88 120.64 110.14 1dmo n GLU 127 Ca 0.19 0.03 0.00 0.00 0.00 0.00 0.00 57.16 57.38 1dmo n GLU 127 Cb 1.10 -0.35 0.00 0.00 0.00 0.00 0.00 31.44 32.20 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 -2.02 -0.62 -3.88 4.31 0.00 -0.60 -2.06 120.51 115.64 1dmo n ALA 128 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1dmo n ALA 128 Cb 0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.83 -1.85 -4.91 0.00 0.23 -1.26 -4.66 115.26 101.98 1dmo n ASN 129 Ca 0.00 -0.79 -0.30 0.00 -0.53 0.00 0.00 54.58 52.96 1dmo n ASN 129 Cb 0.31 -0.95 -0.04 0.00 -2.08 0.00 0.00 39.78 37.02 1dmo n ASN 129 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1dmo s ILE 130 N -4.06 5.17 -1.33 1.53 1.01 -0.87 -4.89 121.20 117.75 1dmo s ILE 130 Ca 0.24 -0.12 0.21 0.00 0.00 0.00 0.00 60.65 60.98 1dmo s ILE 130 Cb -0.13 -3.67 0.32 0.00 0.01 0.00 0.00 42.46 38.98 1dmo s ILE 130 CO 0.59 -0.07 1.66 -0.90 0.00 0.00 0.00 174.94 176.22 1dmo n ASP 131 N -0.27 0.00 0.00 3.58 5.75 -1.26 -4.78 116.55 119.56 1dmo n ASP 131 Ca -0.03 0.10 0.00 0.00 -0.01 0.00 0.00 54.79 54.85 1dmo n ASP 131 Cb 0.53 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 1dmo n ASP 131 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dmo n GLY 132 N 0.50 -2.17 0.00 6.12 0.00 -1.26 -5.02 105.19 103.35 1dmo n GLY 132 Ca 0.09 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.88 1dmo n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1dmo n ASP 133 N -0.09 0.00 0.27 1.61 5.75 -1.26 -4.93 116.55 117.89 1dmo n ASP 133 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 54.79 54.82 1dmo n ASP 133 Cb 0.00 0.00 0.20 0.00 -1.03 0.00 0.00 41.12 40.29 1dmo n ASP 133 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1dmo h GLY 134 N 0.00 0.00 0.00 6.12 0.00 -1.98 -3.42 103.07 103.79 1dmo h GLY 134 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1dmo h GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1dmo n GLN 135 N -2.31 0.00 -3.69 4.80 0.00 -1.26 -4.74 117.38 110.17 1dmo n GLN 135 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 57.00 56.89 1dmo n GLN 135 Cb 0.73 0.00 -0.11 0.00 0.00 0.00 0.00 30.24 30.86 1dmo n GLN 135 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1dmo s VAL 136 N -2.39 -0.24 -1.02 -0.39 1.01 0.94 -4.63 120.40 113.68 1dmo s VAL 136 Ca 0.00 0.15 -0.24 0.00 0.00 0.00 0.00 61.98 61.89 1dmo s VAL 136 Cb 0.00 -0.56 -0.07 0.00 0.00 0.00 0.00 36.38 35.75 1dmo s VAL 136 CO 0.00 0.06 1.97 0.21 0.00 0.00 0.00 175.10 177.34 1dmo s ASN 137 N 1.84 4.97 0.34 3.32 3.04 -1.26 -2.04 114.94 125.15 1dmo s ASN 137 Ca -0.06 -1.05 0.14 0.00 0.04 0.00 0.00 52.86 51.93 1dmo s ASN 137 Cb -0.10 -2.57 1.09 0.00 -1.54 0.00 0.00 41.25 38.13 1dmo s ASN 137 CO -0.11 -3.01 1.62 0.10 -3.04 0.00 0.00 177.10 172.65 1dmo h TYR 138 N 10.74 0.69 -0.65 0.43 -0.00 -1.89 0.40 116.97 126.68 1dmo h TYR 138 Ca 0.14 0.04 0.13 0.00 -0.00 0.00 0.00 58.73 59.05 1dmo h TYR 138 Cb 0.98 -0.14 -0.10 0.00 -0.00 0.00 0.00 36.73 37.47 1dmo h TYR 138 CO 1.20 -0.33 0.09 1.05 -0.00 0.00 0.00 178.16 180.18 1dmo h GLU 139 N 0.15 0.20 -0.26 0.10 4.11 -1.85 0.78 114.58 117.80 1dmo h GLU 139 Ca 0.74 -0.01 -0.15 0.00 0.07 0.00 0.00 59.36 60.01 1dmo h GLU 139 Cb 1.75 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.95 1dmo h GLU 139 CO -0.71 0.13 -0.44 0.93 0.07 0.00 0.00 179.01 178.99 1dmo h GLU 140 N 0.20 0.66 0.00 1.06 4.39 -0.64 -2.65 114.58 117.60 1dmo h GLU 140 Ca 0.35 -0.36 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 1dmo h GLU 140 Cb 0.57 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1dmo h GLU 140 CO -0.49 0.97 -0.15 0.35 -1.16 0.00 0.00 179.01 178.53 1dmo h PHE 141 N 0.54 0.00 -0.01 4.33 3.04 0.40 0.49 116.94 125.72 1dmo h PHE 141 Ca 0.04 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.98 1dmo h PHE 141 Cb 0.97 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.48 1dmo h PHE 141 CO 0.05 0.15 -0.01 0.28 -2.02 0.00 0.00 178.31 176.75 1dmo h VAL 142 N 0.00 1.38 -0.05 1.41 2.07 0.77 -2.26 116.25 119.57 1dmo h VAL 142 Ca -0.00 -1.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.34 1dmo h VAL 142 Cb 0.29 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1dmo h VAL 142 CO 0.02 0.30 -0.11 1.56 0.02 0.00 0.00 177.57 179.36 1dmo h GLN 143 N -0.45 0.17 -0.85 1.57 4.20 -1.37 -3.18 115.11 115.19 1dmo h GLN 143 Ca 0.00 -0.11 0.13 0.00 0.06 0.00 0.00 58.65 58.73 1dmo h GLN 143 Cb 0.49 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.20 1dmo h GLN 143 CO 0.00 0.70 0.46 1.98 -0.67 0.00 0.00 178.83 181.30 1dmo h MET 144 N -0.34 0.67 -0.58 1.46 4.05 -1.00 -0.70 114.93 118.48 1dmo h MET 144 Ca 0.00 -0.04 0.08 0.00 -0.28 0.00 0.00 59.70 59.46 1dmo h MET 144 Cb 0.70 -0.15 -0.07 0.00 -0.80 0.00 0.00 31.60 31.28 1dmo h MET 144 CO 0.02 0.44 0.23 0.52 0.23 0.00 0.00 176.91 178.35 1dmo h MET 145 N 0.69 0.40 -1.74 0.39 2.86 -1.40 -1.74 114.93 114.39 1dmo h MET 145 Ca 0.45 -0.02 -0.62 0.00 -2.06 0.00 0.00 59.70 57.44 1dmo h MET 145 Cb 0.58 -0.09 -0.23 0.00 0.06 0.00 0.00 31.60 31.92 1dmo h MET 145 CO -0.33 0.27 0.77 0.25 1.06 0.00 0.00 176.91 178.92 1dmo n THR 146 N -4.98 3.43 -0.51 2.22 -2.24 -0.29 -4.97 114.28 106.94 1dmo n THR 146 Ca 0.08 -3.35 -0.02 0.00 -2.27 0.00 0.00 64.05 58.49 1dmo n THR 146 Cb 0.25 -1.33 0.02 0.00 -2.10 0.00 0.00 70.33 67.16 1dmo n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dmo n ALA 147 N -0.12 -0.26 0.00 6.98 0.00 -0.66 -4.99 120.51 121.46 1dmo n ALA 147 Ca 0.52 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1dmo n ALA 147 Cb 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1dmo n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67