#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 -4.90 0.00 8.00 -1.26 -5.11 116.55 113.28 1dmo n ASP 2 Ca 0.00 -0.78 -0.21 0.00 0.71 0.00 0.00 54.79 54.51 1dmo n ASP 2 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.16 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 -1.31 2.24 1.00 -1.24 -0.21 -1.26 -4.97 119.66 113.90 1dmo s GLN 3 Ca 0.00 -1.21 0.00 0.00 0.02 0.00 0.00 55.36 54.17 1dmo s GLN 3 Cb 0.00 -2.53 0.00 0.00 1.00 0.00 0.00 33.01 31.48 1dmo s GLN 3 CO 0.00 -0.92 0.00 1.28 -2.12 0.00 0.00 175.29 173.53 1dmo n LEU 4 N -2.39 0.00 -3.73 2.90 4.32 -1.26 -4.91 117.00 111.94 1dmo n LEU 4 Ca 0.12 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 56.02 1dmo n LEU 4 Cb 0.60 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.35 1dmo n LEU 4 CO 0.42 -0.34 0.05 0.42 -1.22 0.00 0.00 177.39 176.72 1dmo s THR 5 N 0.00 0.10 0.17 -5.08 -4.23 -1.26 -5.02 115.64 100.32 1dmo s THR 5 Ca 0.00 -0.81 -0.20 0.00 -1.18 0.00 0.00 61.69 59.50 1dmo s THR 5 Cb 0.00 -1.21 0.10 0.00 1.34 0.00 0.00 72.50 72.73 1dmo s THR 5 CO 0.00 -0.45 1.61 -0.08 -0.54 0.00 0.00 174.62 175.17 1dmo h GLU 6 N 2.59 -0.17 -0.31 3.99 4.81 -1.99 -0.48 114.58 123.03 1dmo h GLU 6 Ca -0.34 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 58.97 1dmo h GLU 6 Cb 1.23 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.58 1dmo h GLU 6 CO 0.50 -0.11 -0.14 1.49 -0.73 0.00 0.00 179.01 180.02 1dmo h GLU 7 N -0.18 -0.08 -0.63 1.92 4.81 -1.99 0.14 114.58 118.58 1dmo h GLU 7 Ca 0.20 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.56 1dmo h GLU 7 Cb 0.49 0.02 -0.10 0.00 0.63 0.00 0.00 28.75 29.79 1dmo h GLU 7 CO -0.53 -0.06 0.03 0.37 -0.73 0.00 0.00 179.01 178.09 1dmo h GLN 8 N -0.09 0.14 0.00 1.92 5.75 -1.55 1.07 115.11 122.36 1dmo h GLN 8 Ca 0.16 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.63 1dmo h GLN 8 Cb 0.33 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 28.84 1dmo h GLN 8 CO -0.37 0.09 -0.10 0.82 -2.65 0.00 0.00 178.83 176.63 1dmo h ILE 9 N 0.15 0.68 -0.01 2.39 2.04 0.41 -2.40 117.51 120.77 1dmo h ILE 9 Ca 0.33 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 1dmo h ILE 9 Cb 0.54 1.25 -0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1dmo h ILE 9 CO -0.51 0.10 -0.00 0.00 0.00 0.00 0.00 178.15 177.73 1dmo h ALA 10 N 1.90 0.02 -0.11 1.87 0.00 0.38 -1.46 119.26 121.85 1dmo h ALA 10 Ca -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1dmo h ALA 10 Cb 0.24 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1dmo h ALA 10 CO 0.01 -0.32 0.05 1.49 0.00 0.00 0.00 179.25 180.47 1dmo h GLU 11 N -0.29 0.15 0.18 0.00 4.81 -0.86 -2.28 114.58 116.30 1dmo h GLU 11 Ca 0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1dmo h GLU 11 Cb 0.32 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1dmo h GLU 11 CO 0.00 0.13 -0.09 0.74 -0.73 0.00 0.00 179.01 179.07 1dmo h PHE 12 N 0.16 -0.22 -0.70 0.92 -1.00 -1.14 -2.66 116.94 112.29 1dmo h PHE 12 Ca 0.04 -0.01 0.19 0.00 2.81 0.00 0.00 57.97 61.01 1dmo h PHE 12 Cb 0.03 0.07 -0.03 0.00 3.61 0.00 0.00 35.95 39.64 1dmo h PHE 12 CO 0.00 0.14 0.49 -0.22 -1.61 0.00 0.00 178.31 177.11 1dmo h LYS 13 N -0.62 0.06 0.82 1.51 3.64 -0.86 0.24 116.57 121.37 1dmo h LYS 13 Ca -0.02 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1dmo h LYS 13 Cb 0.46 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1dmo h LYS 13 CO 0.04 0.04 -0.39 1.49 -2.27 0.00 0.00 179.45 178.36 1dmo h GLU 14 N 0.07 -1.06 -0.01 1.90 4.57 -1.09 0.94 114.58 119.90 1dmo h GLU 14 Ca 0.33 0.07 0.01 0.00 -1.18 0.00 0.00 59.36 58.60 1dmo h GLU 14 Cb 1.24 0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 30.05 1dmo h GLU 14 CO -0.03 -0.71 -0.07 0.00 -1.18 0.00 0.00 179.01 177.03 1dmo h ALA 15 N -1.47 -0.06 -0.44 2.92 0.00 -1.04 0.32 119.26 119.48 1dmo h ALA 15 Ca -0.11 0.01 0.13 0.00 0.00 0.00 0.00 54.91 54.93 1dmo h ALA 15 Cb 0.84 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1dmo h ALA 15 CO 0.18 -0.56 0.32 0.35 0.00 0.00 0.00 179.25 179.55 1dmo h PHE 16 N -0.11 0.02 0.00 0.00 3.57 -0.49 0.17 116.94 120.10 1dmo h PHE 16 Ca 0.03 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1dmo h PHE 16 Cb 0.15 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.89 1dmo h PHE 16 CO -0.14 0.01 -0.73 0.66 -2.23 0.00 0.00 178.31 175.88 1dmo h SER 17 N 0.02 0.00 0.68 0.41 4.64 0.24 -3.27 113.55 116.27 1dmo h SER 17 Ca 0.21 -0.21 -0.20 0.00 -0.47 0.00 0.00 61.79 61.13 1dmo h SER 17 Cb 0.82 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 1dmo h SER 17 CO -0.01 0.10 -0.90 -0.07 -0.87 0.00 0.00 176.83 175.08 1dmo h LEU 18 N 0.00 0.18 -3.32 5.97 3.38 0.26 -3.19 115.31 118.59 1dmo h LEU 18 Ca 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1dmo h LEU 18 Cb 0.78 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1dmo h LEU 18 CO 0.00 0.99 0.00 0.49 0.09 0.00 0.00 178.44 180.01 1dmo n PHE 19 N -3.60 1.66 -1.46 1.13 3.72 -0.96 -4.99 117.46 112.97 1dmo n PHE 19 Ca -0.03 -0.68 -0.33 0.00 -0.05 0.00 0.00 57.45 56.36 1dmo n PHE 19 Cb 0.83 -0.36 0.08 0.00 -0.94 0.00 0.00 39.48 39.10 1dmo n PHE 19 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1dmo s ASP 20 N -0.96 4.51 0.00 4.37 2.15 -1.21 -4.86 116.67 120.68 1dmo s ASP 20 Ca 0.51 2.08 0.00 0.00 0.43 0.00 0.00 52.55 55.57 1dmo s ASP 20 Cb 0.36 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.43 1dmo s ASP 20 CO 0.20 -2.04 0.00 0.29 -0.17 0.00 0.00 175.17 173.45 1dmo n LYS 21 N -2.91 0.00 -0.31 4.34 4.01 -1.26 -4.86 118.16 117.17 1dmo n LYS 21 Ca 0.11 0.00 0.03 0.00 -0.51 0.00 0.00 58.31 57.94 1dmo n LYS 21 Cb 0.52 0.00 0.11 0.00 -0.51 0.00 0.00 35.03 35.14 1dmo n LYS 21 CO 0.00 0.00 0.00 0.22 -1.11 0.00 0.00 177.40 176.51 1dmo h ASP 22 N 0.00 -0.84 0.00 4.39 3.58 -1.94 -3.45 116.42 118.16 1dmo h ASP 22 Ca 0.00 0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.71 1dmo h ASP 22 Cb 0.00 0.55 0.00 0.00 1.72 0.00 0.00 39.33 41.60 1dmo h ASP 22 CO 0.00 -0.29 0.00 0.61 -2.88 0.00 0.00 179.24 176.68 1dmo n GLY 23 N -1.55 0.85 0.04 -0.78 0.00 -1.26 -5.03 105.19 97.46 1dmo n GLY 23 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 1dmo n GLY 23 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dmo h ASP 24 N 0.12 -0.07 0.00 1.61 3.32 -1.98 -3.48 116.42 115.94 1dmo h ASP 24 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1dmo h ASP 24 Cb 0.00 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1dmo h ASP 24 CO 0.00 -0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 1dmo n GLY 25 N 0.80 -0.00 3.75 2.75 0.00 -1.26 -5.04 105.19 106.19 1dmo n GLY 25 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1dmo n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dmo s THR 26 N 0.00 2.26 0.22 2.61 -4.23 -1.26 -4.46 115.64 110.77 1dmo s THR 26 Ca 0.00 0.09 -0.05 0.00 -1.18 0.00 0.00 61.69 60.54 1dmo s THR 26 Cb 0.00 -2.73 -0.03 0.00 1.34 0.00 0.00 72.50 71.09 1dmo s THR 26 CO 0.00 -0.11 0.26 0.27 -0.54 0.00 0.00 174.62 174.50 1dmo s ILE 27 N -3.13 0.00 -0.02 2.99 -4.36 -0.30 -4.18 121.20 112.20 1dmo s ILE 27 Ca 0.64 -1.77 -0.03 0.00 -0.26 0.00 0.00 60.65 59.23 1dmo s ILE 27 Cb -0.16 -2.38 -0.04 0.00 1.25 0.00 0.00 42.46 41.13 1dmo s ILE 27 CO 0.55 -0.01 0.16 0.42 0.24 0.00 0.00 174.94 176.30 1dmo s THR 28 N -4.10 5.30 0.56 8.37 -4.23 -1.26 -0.18 115.64 120.10 1dmo s THR 28 Ca 0.33 -0.17 0.44 0.00 -1.18 0.00 0.00 61.69 61.11 1dmo s THR 28 Cb 0.04 -3.45 0.66 0.00 1.34 0.00 0.00 72.50 71.09 1dmo s THR 28 CO 0.11 0.36 1.61 0.71 -0.54 0.00 0.00 174.62 176.87 1dmo h THR 29 N 3.02 0.11 -0.53 3.99 1.35 -1.88 0.77 112.91 119.75 1dmo h THR 29 Ca -0.50 0.00 -0.11 0.00 -0.55 0.00 0.00 66.41 65.26 1dmo h THR 29 Cb 1.19 0.12 -0.02 0.00 -1.73 0.00 0.00 68.15 67.71 1dmo h THR 29 CO 0.66 0.00 -0.09 0.07 -0.25 0.00 0.00 175.52 175.92 1dmo h LYS 30 N 0.00 0.97 0.00 4.72 2.10 -1.92 -2.66 116.57 119.78 1dmo h LYS 30 Ca 0.79 -0.34 0.00 0.00 -2.00 0.00 0.00 60.65 59.10 1dmo h LYS 30 Cb 3.27 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 34.53 1dmo h LYS 30 CO -0.01 1.01 -0.18 0.39 -2.00 0.00 0.00 179.45 178.65 1dmo n GLU 31 N -4.15 0.09 -0.06 0.07 1.02 0.26 -4.22 120.64 113.65 1dmo n GLU 31 Ca 0.02 0.06 -0.07 0.00 -0.02 0.00 0.00 57.16 57.15 1dmo n GLU 31 Cb 0.38 -1.59 -0.05 0.00 -0.02 0.00 0.00 31.44 30.17 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 -0.87 -0.88 -4.62 5.85 -1.01 -1.01 115.31 112.76 1dmo h LEU 32 Ca 0.00 0.11 0.22 0.00 0.84 0.00 0.00 57.88 59.06 1dmo h LEU 32 Cb 0.58 0.36 -0.16 0.00 0.37 0.00 0.00 40.66 41.81 1dmo h LEU 32 CO 0.00 -0.19 0.05 1.23 -0.34 0.00 0.00 178.44 179.19 1dmo h GLY 33 N -0.19 1.10 0.74 3.75 0.00 -1.74 0.60 103.07 107.33 1dmo h GLY 33 Ca 0.03 0.11 0.07 0.00 0.00 0.00 0.00 47.33 47.54 1dmo h GLY 33 CO -0.28 -0.40 0.63 -0.84 0.00 0.00 0.00 176.54 175.66 1dmo h THR 34 N 0.08 1.06 0.33 4.70 2.02 -1.46 -2.05 112.91 117.60 1dmo h THR 34 Ca 0.52 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 67.30 1dmo h THR 34 Cb 1.00 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1dmo h THR 34 CO -0.78 0.20 -0.16 0.58 0.37 0.00 0.00 175.52 175.73 1dmo h VAL 35 N 1.12 0.00 -0.53 3.16 2.07 0.11 -2.00 116.25 120.17 1dmo h VAL 35 Ca 0.43 -0.02 0.15 0.00 0.82 0.00 0.00 66.70 68.08 1dmo h VAL 35 Cb 0.21 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 1dmo h VAL 35 CO -0.17 0.00 0.88 0.24 0.02 0.00 0.00 177.57 178.54 1dmo h MET 36 N -0.47 0.00 0.22 1.57 2.86 -1.32 0.27 114.93 118.07 1dmo h MET 36 Ca -0.05 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1dmo h MET 36 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1dmo h MET 36 CO 0.07 0.00 -0.11 -0.09 1.06 0.00 0.00 176.91 177.85 1dmo h ARG 37 N 0.00 -0.29 -0.19 1.72 2.43 -0.62 -2.96 114.38 114.46 1dmo h ARG 37 Ca 0.25 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1dmo h ARG 37 Cb 2.01 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.63 1dmo h ARG 37 CO -0.00 0.06 0.00 0.45 -1.51 0.00 0.00 179.97 178.97 1dmo n SER 38 N -5.05 1.29 0.02 -3.80 2.88 0.77 -3.45 113.62 106.28 1dmo n SER 38 Ca -0.09 -1.82 0.11 0.00 -1.33 0.00 0.00 58.87 55.74 1dmo n SER 38 Cb 0.25 -0.12 -0.09 0.00 -0.75 0.00 0.00 64.21 63.50 1dmo n SER 38 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1dmo n LEU 39 N 0.14 0.41 0.00 2.46 0.00 -0.08 -4.85 117.00 115.09 1dmo n LEU 39 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.13 1dmo n LEU 39 Cb 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 43.42 43.62 1dmo n LEU 39 CO 0.09 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.09 1dmo n GLY 40 N 1.30 -2.07 0.04 -3.96 0.00 -1.13 -4.98 105.19 94.39 1dmo n GLY 40 Ca -0.01 0.78 -0.00 0.00 0.00 0.00 0.00 46.02 46.79 1dmo n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dmo n GLN 41 N 0.00 1.44 -3.80 1.61 10.64 -1.24 -4.96 117.38 121.08 1dmo n GLN 41 Ca 0.00 -0.04 -0.36 0.00 -1.83 0.00 0.00 57.00 54.78 1dmo n GLN 41 Cb 0.00 0.00 -0.12 0.00 -0.86 0.00 0.00 30.24 29.26 1dmo n GLN 41 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 1dmo s ASN 42 N -1.03 5.20 0.93 2.61 -0.87 -1.26 -3.61 114.94 116.91 1dmo s ASN 42 Ca 0.00 -2.05 -0.11 0.00 -1.57 0.00 0.00 52.86 49.13 1dmo s ASN 42 Cb -0.00 -1.81 0.15 0.00 -0.02 0.00 0.00 41.25 39.57 1dmo s ASN 42 CO 0.00 -0.53 1.09 -2.16 -2.57 0.00 0.00 177.10 172.94 1dmo s PRO 43 N 1.11 0.94 0.41 -0.60 0.05 -1.26 -5.02 135.00 130.63 1dmo s PRO 43 Ca 0.09 1.06 -0.06 0.00 0.05 0.00 0.00 61.00 62.14 1dmo s PRO 43 Cb -0.22 -1.75 -0.05 0.00 0.05 0.00 0.00 34.50 32.53 1dmo s PRO 43 CO -0.05 -2.53 0.71 0.99 0.05 0.00 0.00 177.00 176.18 1dmo s THR 44 N -2.77 4.92 -0.09 1.26 2.01 -1.26 -4.95 115.64 114.76 1dmo s THR 44 Ca 0.65 0.20 0.29 0.00 0.31 0.00 0.00 61.69 63.14 1dmo s THR 44 Cb -0.20 -3.81 0.31 0.00 0.01 0.00 0.00 72.50 68.81 1dmo s THR 44 CO 0.58 -0.64 1.87 1.05 -0.69 0.00 0.00 174.62 176.80 1dmo h GLU 45 N 0.82 0.00 0.00 4.92 4.11 -1.98 -2.10 114.58 120.35 1dmo h GLU 45 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1dmo h GLU 45 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1dmo h GLU 45 CO 0.63 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.71 1dmo n ALA 46 N -1.90 -0.09 -0.28 1.06 0.00 -1.26 -2.15 120.51 115.88 1dmo n ALA 46 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1dmo n ALA 46 Cb 0.18 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.85 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 0.53 -0.63 0.00 4.39 -1.97 0.39 114.58 117.29 1dmo h GLU 47 Ca 0.00 -0.03 0.13 0.00 0.34 0.00 0.00 59.36 59.79 1dmo h GLU 47 Cb 0.00 -0.12 -0.09 0.00 -0.10 0.00 0.00 28.75 28.44 1dmo h GLU 47 CO 0.00 0.35 0.12 1.25 -1.16 0.00 0.00 179.01 179.58 1dmo h LEU 48 N 0.55 -0.03 -0.74 1.33 5.85 -1.50 0.17 115.31 120.94 1dmo h LEU 48 Ca 0.45 0.13 -0.13 0.00 0.84 0.00 0.00 57.88 59.17 1dmo h LEU 48 Cb 0.67 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1dmo h LEU 48 CO -0.38 -0.02 -0.40 -0.61 -0.34 0.00 0.00 178.44 176.69 1dmo h GLN 49 N 0.24 0.49 0.00 1.25 4.15 0.14 -2.41 115.11 118.97 1dmo h GLN 49 Ca 0.34 -0.24 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 1dmo h GLN 49 Cb 0.53 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.22 1dmo h GLN 49 CO -0.44 0.81 -0.06 0.22 -1.93 0.00 0.00 178.83 177.43 1dmo h ASP 50 N 0.41 0.00 0.48 -0.69 1.82 0.21 -2.17 116.42 116.47 1dmo h ASP 50 Ca 0.04 0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 56.38 1dmo h ASP 50 Cb 0.88 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.87 1dmo h ASP 50 CO 0.07 0.06 -1.55 0.24 -1.61 0.00 0.00 179.24 176.45 1dmo h MET 51 N 0.00 0.19 0.47 0.28 2.86 -0.58 -3.32 114.93 114.82 1dmo h MET 51 Ca -0.00 -0.32 -0.02 0.00 -2.06 0.00 0.00 59.70 57.30 1dmo h MET 51 Cb 0.24 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1dmo h MET 51 CO 0.01 1.01 -0.23 0.82 1.06 0.00 0.00 176.91 179.57 1dmo h ILE 52 N 0.05 0.52 0.00 -1.22 5.03 -0.99 -0.95 117.51 119.95 1dmo h ILE 52 Ca -0.25 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.49 1dmo h ILE 52 Cb 2.00 0.52 0.00 0.00 -3.03 0.00 0.00 36.82 36.31 1dmo h ILE 52 CO 0.14 0.00 0.32 -1.13 -0.68 0.00 0.00 178.15 176.80 1dmo h ASN 53 N -0.64 0.00 0.00 1.72 -1.24 -1.65 -1.29 115.58 112.48 1dmo h ASN 53 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.95 1dmo h ASN 53 Cb 0.50 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.55 1dmo h ASN 53 CO 0.10 0.00 -0.04 -0.08 -1.29 0.00 0.00 177.43 176.12 1dmo h GLU 54 N 0.00 0.00 0.00 6.67 4.57 -1.34 -3.36 114.58 121.13 1dmo h GLU 54 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1dmo h GLU 54 Cb 0.64 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 1dmo h GLU 54 CO 0.00 0.00 0.00 1.33 -1.18 0.00 0.00 179.01 179.16 1dmo n VAL 55 N -2.44 0.00 -0.81 0.32 0.24 -0.48 -1.95 118.33 113.21 1dmo n VAL 55 Ca -0.01 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.09 1dmo n VAL 55 Cb 0.02 -0.97 0.11 0.00 -1.47 0.00 0.00 33.84 31.53 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 -0.88 4.70 0.04 -1.34 2.03 -0.50 -4.59 116.55 116.00 1dmo n ASP 56 Ca 0.00 -3.28 -0.01 0.00 0.52 0.00 0.00 54.79 52.02 1dmo n ASP 56 Cb 0.00 -0.84 -0.01 0.00 -0.72 0.00 0.00 41.12 39.55 1dmo n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1dmo h ALA 57 N 1.41 -0.68 -1.04 -1.67 0.00 -1.65 -3.19 119.26 112.45 1dmo h ALA 57 Ca 0.47 -0.02 0.30 0.00 0.00 0.00 0.00 54.91 55.65 1dmo h ALA 57 Cb 1.91 0.04 -0.13 0.00 0.00 0.00 0.00 17.79 19.61 1dmo h ALA 57 CO 0.94 -0.67 0.63 -0.44 0.00 0.00 0.00 179.25 179.71 1dmo h ASP 58 N -0.13 0.53 0.00 0.00 3.32 -1.90 -3.45 116.42 114.80 1dmo h ASP 58 Ca -0.01 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1dmo h ASP 58 Cb 0.07 0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1dmo h ASP 58 CO 0.02 -0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 1dmo n GLY 59 N -1.36 0.91 0.23 2.75 0.00 -1.21 -4.96 105.19 101.55 1dmo n GLY 59 Ca 0.29 -0.35 0.06 0.00 0.00 0.00 0.00 46.02 46.02 1dmo n GLY 59 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1dmo h ASN 60 N 0.00 0.00 0.00 1.61 -0.73 -1.87 -3.45 115.58 111.14 1dmo h ASN 60 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1dmo h ASN 60 Cb 0.05 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.64 1dmo h ASN 60 CO 0.00 0.17 0.00 0.61 -0.37 0.00 0.00 177.43 177.84 1dmo n GLY 61 N -1.02 1.06 3.27 1.57 0.00 -1.26 -5.00 105.19 103.80 1dmo n GLY 61 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 1dmo n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dmo s THR 62 N -3.21 0.30 0.01 2.61 -4.23 -1.26 -4.14 115.64 105.72 1dmo s THR 62 Ca 0.00 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.57 1dmo s THR 62 Cb 0.00 -2.57 -0.02 0.00 1.34 0.00 0.00 72.50 71.25 1dmo s THR 62 CO 0.00 0.00 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.27 1dmo s ILE 63 N -3.91 1.42 0.42 2.99 1.01 0.75 -4.82 121.20 119.06 1dmo s ILE 63 Ca 0.38 -0.89 0.08 0.00 0.00 0.00 0.00 60.65 60.21 1dmo s ILE 63 Cb 0.07 -1.21 -0.02 0.00 0.01 0.00 0.00 42.46 41.31 1dmo s ILE 63 CO 0.13 0.30 0.37 -0.62 0.00 0.00 0.00 174.94 175.12 1dmo s ASP 64 N -0.70 4.99 0.21 3.58 2.15 -1.26 -1.16 116.67 124.50 1dmo s ASP 64 Ca 0.06 -0.79 -0.08 0.00 0.43 0.00 0.00 52.55 52.17 1dmo s ASP 64 Cb -0.07 -0.52 0.27 0.00 -0.30 0.00 0.00 42.92 42.30 1dmo s ASP 64 CO 0.00 -0.67 1.79 0.15 -0.17 0.00 0.00 175.17 176.28 1dmo h PHE 65 N 1.04 0.64 0.44 -5.34 3.57 -1.96 -1.94 116.94 113.38 1dmo h PHE 65 Ca -0.41 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.10 1dmo h PHE 65 Cb 1.27 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.80 1dmo h PHE 65 CO 0.54 0.27 -0.35 -1.35 -2.23 0.00 0.00 178.31 175.19 1dmo h PRO 66 N 0.63 -0.76 -0.98 6.41 0.10 -2.01 -2.16 132.00 133.23 1dmo h PRO 66 Ca 0.32 0.05 0.14 0.00 0.10 0.00 0.00 66.00 66.61 1dmo h PRO 66 Cb 0.26 0.17 -0.09 0.00 0.10 0.00 0.00 31.00 31.45 1dmo h PRO 66 CO -0.22 -0.51 0.62 0.93 0.10 0.00 0.00 178.00 178.92 1dmo h GLU 67 N -0.79 0.85 -0.94 1.05 4.39 -1.93 0.14 114.58 117.34 1dmo h GLU 67 Ca -0.04 -0.05 0.09 0.00 0.34 0.00 0.00 59.36 59.69 1dmo h GLU 67 Cb 0.68 -0.19 -0.07 0.00 -0.10 0.00 0.00 28.75 29.07 1dmo h GLU 67 CO -0.01 0.56 0.61 0.35 -1.16 0.00 0.00 179.01 179.35 1dmo h PHE 68 N 0.87 1.06 0.12 4.33 3.04 -0.75 -1.76 116.94 123.86 1dmo h PHE 68 Ca 0.50 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.48 1dmo h PHE 68 Cb 0.64 -0.35 0.00 0.00 2.56 0.00 0.00 35.95 38.81 1dmo h PHE 68 CO -0.00 0.51 -0.06 -0.07 -2.02 0.00 0.00 178.31 176.66 1dmo h LEU 69 N 1.00 -0.14 -0.57 0.59 3.38 -0.15 -0.55 115.31 118.88 1dmo h LEU 69 Ca 0.43 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.50 1dmo h LEU 69 Cb 0.32 0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.00 1dmo h LEU 69 CO -0.18 -0.09 -0.17 0.74 0.09 0.00 0.00 178.44 178.83 1dmo h THR 70 N -0.18 0.38 -0.18 0.22 2.02 -1.08 0.16 112.91 114.25 1dmo h THR 70 Ca -0.02 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.18 1dmo h THR 70 Cb 0.14 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 1dmo h THR 70 CO 0.03 0.00 0.05 -0.03 0.37 0.00 0.00 175.52 175.93 1dmo h MET 71 N -0.03 0.12 -0.57 6.66 1.85 -1.05 -2.23 114.93 119.69 1dmo h MET 71 Ca 0.27 -0.01 0.09 0.00 -0.61 0.00 0.00 59.70 59.45 1dmo h MET 71 Cb 0.45 -0.03 -0.07 0.00 0.43 0.00 0.00 31.60 32.38 1dmo h MET 71 CO -0.60 0.08 0.16 0.52 -0.40 0.00 0.00 176.91 176.67 1dmo h MET 72 N 0.13 0.31 -0.61 0.39 2.07 0.66 0.14 114.93 118.01 1dmo h MET 72 Ca 0.08 -0.02 0.12 0.00 -2.07 0.00 0.00 59.70 57.81 1dmo h MET 72 Cb 0.06 -0.07 -0.12 0.00 -1.87 0.00 0.00 31.60 29.61 1dmo h MET 72 CO -0.10 0.20 -0.17 0.00 1.07 0.00 0.00 176.91 177.92 1dmo h ALA 73 N 1.42 0.37 -0.22 6.32 0.00 -0.18 1.49 119.26 128.45 1dmo h ALA 73 Ca 0.29 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.41 1dmo h ALA 73 Cb 0.38 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1dmo h ALA 73 CO -0.33 -0.45 0.03 -0.09 0.00 0.00 0.00 179.25 178.41 1dmo h ARG 74 N -0.02 0.37 0.00 0.00 2.43 -0.93 1.35 114.38 117.59 1dmo h ARG 74 Ca 0.29 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1dmo h ARG 74 Cb 0.46 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1dmo h ARG 74 CO -0.64 0.52 0.00 0.87 -1.51 0.00 0.00 179.97 179.21 1dmo h LYS 75 N 0.17 0.00 -0.17 0.20 1.79 0.15 0.10 116.57 118.81 1dmo h LYS 75 Ca 0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1dmo h LYS 75 Cb 0.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 1dmo h LYS 75 CO 0.01 0.00 0.00 -1.33 -1.08 0.00 0.00 179.45 177.05 1dmo n MET 76 N -2.39 2.66 0.05 3.15 2.81 0.49 -4.55 117.12 119.33 1dmo n MET 76 Ca -0.01 -1.71 0.02 0.00 -1.81 0.00 0.00 57.70 54.19 1dmo n MET 76 Cb 0.09 -1.14 0.11 0.00 -0.71 0.00 0.00 33.22 31.57 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 0.06 0.03 -3.84 0.03 4.81 0.45 -3.42 118.16 116.28 1dmo n LYS 77 Ca 0.06 0.39 -0.30 0.00 -0.87 0.00 0.00 58.31 57.59 1dmo n LYS 77 Cb 0.33 -1.81 -0.16 0.00 0.02 0.00 0.00 35.03 33.41 1dmo n LYS 77 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1dmo s ASP 78 N -2.87 3.71 0.00 3.14 1.11 -1.26 -5.08 116.67 115.43 1dmo s ASP 78 Ca -0.00 -1.27 0.00 0.00 0.18 0.00 0.00 52.55 51.46 1dmo s ASP 78 Cb 0.01 -0.98 0.00 0.00 1.07 0.00 0.00 42.92 43.02 1dmo s ASP 78 CO 0.04 -0.31 0.00 0.41 1.18 0.00 0.00 175.17 176.49 1dmo n THR 79 N 4.78 0.00 -0.96 -1.27 -1.04 -1.22 -5.00 114.28 109.57 1dmo n THR 79 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1dmo n THR 79 Cb 0.44 -0.47 0.00 0.00 -1.82 0.00 0.00 70.33 68.48 1dmo n THR 79 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1dmo n ASP 80 N 0.00 -1.25 -0.32 8.00 -0.08 -1.26 -4.94 116.55 116.70 1dmo n ASP 80 Ca 0.00 0.00 0.16 0.00 -1.51 0.00 0.00 54.79 53.44 1dmo n ASP 80 Cb 0.00 -0.31 0.35 0.00 2.34 0.00 0.00 41.12 43.50 1dmo n ASP 80 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1dmo h SER 81 N 0.00 0.32 -1.65 1.67 0.02 -1.98 0.85 113.55 112.78 1dmo h SER 81 Ca 0.00 0.17 0.48 0.00 -0.84 0.00 0.00 61.79 61.61 1dmo h SER 81 Cb 0.63 0.16 -0.07 0.00 0.14 0.00 0.00 62.40 63.26 1dmo h SER 81 CO 0.00 -0.07 1.19 -0.62 -1.14 0.00 0.00 176.83 176.19 1dmo n GLU 82 N -5.08 -0.00 -0.09 3.45 1.02 -1.26 0.47 120.64 119.15 1dmo n GLU 82 Ca 0.25 0.92 -0.17 0.00 -0.02 0.00 0.00 57.16 58.14 1dmo n GLU 82 Cb 0.76 -2.11 -0.10 0.00 -0.02 0.00 0.00 31.44 29.97 1dmo n GLU 82 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1dmo h GLU 83 N 0.00 0.00 0.00 3.49 5.08 -1.19 -2.84 114.58 119.13 1dmo h GLU 83 Ca 0.79 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.15 1dmo h GLU 83 Cb 3.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.41 1dmo h GLU 83 CO -0.02 0.84 0.00 1.49 -1.00 0.00 0.00 179.01 180.32 1dmo h GLU 84 N -1.00 0.00 0.00 2.33 4.57 -0.02 -2.72 114.58 117.73 1dmo h GLU 84 Ca -0.22 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 57.86 1dmo h GLU 84 Cb 1.09 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.67 1dmo h GLU 84 CO -0.13 0.00 -0.76 0.82 -1.18 0.00 0.00 179.01 177.76 1dmo h ILE 85 N 0.00 0.55 -1.00 2.32 2.04 -0.09 -2.69 117.51 118.64 1dmo h ILE 85 Ca 0.00 -1.63 0.29 0.00 1.00 0.00 0.00 64.86 64.52 1dmo h ILE 85 Cb 0.10 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1dmo h ILE 85 CO 0.00 0.19 0.73 0.08 0.00 0.00 0.00 178.15 179.14 1dmo h ARG 86 N -1.00 0.00 0.14 2.37 -0.00 -1.30 0.22 114.38 114.81 1dmo h ARG 86 Ca -0.16 0.00 -0.18 0.00 -0.00 0.00 0.00 59.98 59.64 1dmo h ARG 86 Cb 0.86 0.00 0.02 0.00 -0.00 0.00 0.00 29.97 30.85 1dmo h ARG 86 CO -0.09 0.00 -0.81 1.49 -0.00 0.00 0.00 179.97 180.56 1dmo h GLU 87 N 0.00 0.30 -1.10 0.08 4.57 -1.62 -2.83 114.58 113.98 1dmo h GLU 87 Ca 0.48 -0.51 0.30 0.00 -1.18 0.00 0.00 59.36 58.45 1dmo h GLU 87 Cb 1.93 0.19 -0.08 0.00 -0.16 0.00 0.00 28.75 30.62 1dmo h GLU 87 CO -0.01 1.24 0.74 0.00 -1.18 0.00 0.00 179.01 179.81 1dmo h ALA 88 N 0.08 2.54 0.01 2.92 0.00 -0.24 0.35 119.26 124.93 1dmo h ALA 88 Ca -0.14 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 1dmo h ALA 88 Cb 1.64 0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.50 1dmo h ALA 88 CO 0.15 -0.94 -0.70 0.74 0.00 0.00 0.00 179.25 178.50 1dmo h PHE 89 N 0.25 0.68 -1.06 0.00 0.04 -1.37 -3.15 116.94 112.32 1dmo h PHE 89 Ca 0.60 -0.38 0.30 0.00 2.80 0.00 0.00 57.97 61.30 1dmo h PHE 89 Cb 1.82 -0.07 -0.05 0.00 2.20 0.00 0.00 35.95 39.85 1dmo h PHE 89 CO -0.00 1.21 0.75 -0.09 -0.60 0.00 0.00 178.31 179.58 1dmo h ARG 90 N -0.04 0.04 0.00 1.51 1.12 -0.07 0.48 114.38 117.42 1dmo h ARG 90 Ca -0.09 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.78 1dmo h ARG 90 Cb 1.41 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 31.36 1dmo h ARG 90 CO 0.14 0.03 0.02 0.28 -3.11 0.00 0.00 179.97 177.33 1dmo n VAL 91 N -4.26 0.46 -0.87 0.20 0.31 -0.81 -0.65 118.33 112.71 1dmo n VAL 91 Ca 0.23 0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.70 1dmo n VAL 91 Cb 1.10 -1.14 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 1dmo n VAL 91 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1dmo n PHE 92 N -1.05 0.00 -3.02 3.52 3.01 0.16 -5.05 117.46 115.04 1dmo n PHE 92 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.05 1dmo n PHE 92 Cb 0.02 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.44 1dmo n PHE 92 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1dmo s ASP 93 N 0.00 6.61 -0.40 4.37 -1.08 0.18 -4.82 116.67 121.52 1dmo s ASP 93 Ca 0.00 0.61 0.09 0.00 -0.52 0.00 0.00 52.55 52.73 1dmo s ASP 93 Cb 0.00 -2.38 0.28 0.00 -1.46 0.00 0.00 42.92 39.36 1dmo s ASP 93 CO 0.00 -0.54 0.66 0.29 0.52 0.00 0.00 175.17 176.11 1dmo n LYS 94 N 6.03 0.81 0.15 4.34 5.02 -1.26 -4.91 118.16 128.33 1dmo n LYS 94 Ca 0.02 -2.97 0.00 0.00 -2.02 0.00 0.00 58.31 53.34 1dmo n LYS 94 Cb 0.48 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 1dmo n LYS 94 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1dmo n ASP 95 N 1.09 -1.65 0.00 4.39 9.92 -1.26 -5.07 116.55 123.97 1dmo n ASP 95 Ca 0.19 0.54 0.00 0.00 -0.53 0.00 0.00 54.79 55.00 1dmo n ASP 95 Cb 0.59 1.68 0.00 0.00 -0.64 0.00 0.00 41.12 42.75 1dmo n ASP 95 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1dmo n GLY 96 N 0.12 2.20 0.03 0.44 0.00 -1.26 -4.94 105.19 101.77 1dmo n GLY 96 Ca 0.00 -0.18 0.15 0.00 0.00 0.00 0.00 46.02 46.00 1dmo n GLY 96 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1dmo n ASN 97 N 0.00 0.11 -2.36 1.61 5.03 -1.26 -4.90 115.26 113.48 1dmo n ASN 97 Ca 0.00 -0.70 -0.11 0.00 0.87 0.00 0.00 54.58 54.64 1dmo n ASN 97 Cb 0.00 -0.10 0.05 0.00 -1.02 0.00 0.00 39.78 38.71 1dmo n ASN 97 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1dmo n GLY 98 N 1.13 0.02 3.17 7.41 0.00 -1.26 -4.97 105.19 110.68 1dmo n GLY 98 Ca 0.20 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.20 2.31 0.39 1.61 1.51 -1.26 -2.95 117.35 115.75 1dmo s TYR 99 Ca 0.12 -0.95 0.08 0.00 -1.01 0.00 0.00 57.07 55.31 1dmo s TYR 99 Cb -0.05 -1.57 -0.07 0.00 -0.11 0.00 0.00 41.96 40.16 1dmo s TYR 99 CO 0.42 -0.40 0.03 0.96 -1.11 0.00 0.00 175.55 175.46 1dmo s ILE 100 N 0.45 2.19 0.35 2.71 -4.36 0.05 -4.65 121.20 117.94 1dmo s ILE 100 Ca -0.17 -1.96 -0.25 0.00 -0.26 0.00 0.00 60.65 58.01 1dmo s ILE 100 Cb -0.17 -2.92 -0.10 0.00 1.25 0.00 0.00 42.46 40.52 1dmo s ILE 100 CO 0.07 -0.06 0.98 -0.55 0.24 0.00 0.00 174.94 175.62 1dmo s SER 101 N -3.74 7.15 0.26 4.36 0.15 -1.26 0.28 113.70 120.89 1dmo s SER 101 Ca 0.36 1.89 0.23 0.00 0.70 0.00 0.00 55.95 59.13 1dmo s SER 101 Cb 0.06 -2.58 0.99 0.00 -1.71 0.00 0.00 66.02 62.78 1dmo s SER 101 CO 0.19 -0.21 1.70 0.00 1.20 0.00 0.00 173.24 176.12 1dmo n ALA 102 N 0.30 1.59 0.07 5.45 0.00 0.53 -1.91 120.51 126.54 1dmo n ALA 102 Ca 0.03 0.09 -0.04 0.00 0.00 0.00 0.00 53.44 53.53 1dmo n ALA 102 Cb 0.50 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 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 2.24 -0.29 -0.11 0.00 0.00 -1.91 -2.90 119.26 116.29 1dmo h ALA 103 Ca 0.00 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1dmo h ALA 103 Cb 0.32 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1dmo h ALA 103 CO 0.00 -0.28 0.14 0.93 0.00 0.00 0.00 179.25 180.04 1dmo h GLU 104 N -0.90 0.00 -0.36 0.00 4.39 -1.95 -0.31 114.58 115.44 1dmo h GLU 104 Ca -0.03 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 1dmo h GLU 104 Cb 0.20 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 1dmo h GLU 104 CO 0.04 0.00 0.16 1.25 -1.16 0.00 0.00 179.01 179.31 1dmo h LEU 105 N 0.00 0.48 -1.65 1.33 6.46 -1.38 0.72 115.31 121.27 1dmo h LEU 105 Ca 0.05 -0.14 -0.03 0.00 -0.12 0.00 0.00 57.88 57.64 1dmo h LEU 105 Cb 0.33 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 1dmo h LEU 105 CO -0.00 0.49 -0.09 -0.09 -0.62 0.00 0.00 178.44 178.12 1dmo h ARG 106 N 0.44 0.11 0.00 1.25 2.43 -0.85 -0.48 114.38 117.29 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 0.14 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1dmo h ARG 106 CO -0.01 0.21 -0.76 1.25 -1.51 0.00 0.00 179.97 179.15 1dmo h HIS 107 N 0.11 0.00 -0.52 2.20 2.76 -0.93 -3.21 115.15 115.55 1dmo h HIS 107 Ca 0.02 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.11 1dmo h HIS 107 Cb 0.24 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.18 1dmo h HIS 107 CO 0.00 0.76 0.00 0.28 -1.30 0.00 0.00 177.93 177.67 1dmo h VAL 108 N 0.00 1.26 -0.56 5.26 2.07 0.20 -2.29 116.25 122.20 1dmo h VAL 108 Ca -0.01 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 1dmo h VAL 108 Cb 1.44 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 1dmo h VAL 108 CO 0.10 0.39 0.33 0.24 0.02 0.00 0.00 177.57 178.64 1dmo h MET 109 N 0.79 0.75 -0.21 1.57 2.07 -1.39 0.25 114.93 118.76 1dmo h MET 109 Ca 0.15 -0.06 -0.08 0.00 -2.07 0.00 0.00 59.70 57.63 1dmo h MET 109 Cb 0.52 -0.16 -0.00 0.00 -1.87 0.00 0.00 31.60 30.09 1dmo h MET 109 CO 0.03 0.53 -0.19 1.79 1.07 0.00 0.00 176.91 180.14 1dmo h THR 110 N 0.77 1.32 -0.00 2.22 1.35 -1.50 -2.40 112.91 114.67 1dmo h THR 110 Ca 0.20 -1.34 0.00 0.00 -0.55 0.00 0.00 66.41 64.72 1dmo h THR 110 Cb -0.02 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 1dmo h THR 110 CO -0.04 0.41 -0.06 0.59 -0.25 0.00 0.00 175.52 176.17 1dmo n ASN 111 N -4.44 0.35 0.00 5.36 5.03 -0.89 -4.22 115.26 116.45 1dmo n ASN 111 Ca -0.05 -0.59 0.00 0.00 0.87 0.00 0.00 54.58 54.81 1dmo n ASN 111 Cb 0.40 -0.10 0.00 0.00 -1.02 0.00 0.00 39.78 39.05 1dmo n ASN 111 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1dmo n LEU 112 N -0.97 2.70 0.00 3.41 7.94 0.85 -4.93 117.00 126.00 1dmo n LEU 112 Ca 0.16 0.03 0.00 0.00 -1.11 0.00 0.00 56.01 55.09 1dmo n LEU 112 Cb 0.25 -0.03 0.00 0.00 0.53 0.00 0.00 43.42 44.17 1dmo n LEU 112 CO 0.22 -0.03 0.00 0.61 -1.11 0.00 0.00 177.39 177.08 1dmo n GLY 113 N 2.47 1.00 3.46 -3.96 0.00 -1.21 -4.99 105.19 101.96 1dmo n GLY 113 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -1.02 0.00 1.61 1.02 -0.92 -4.72 120.64 116.62 1dmo n GLU 114 Ca 0.00 0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 1dmo n GLU 114 Cb 0.10 -4.72 0.00 0.00 -0.02 0.00 0.00 31.44 26.81 1dmo n GLU 114 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1dmo n LYS 115 N -0.49 0.33 -3.49 3.49 0.00 -1.26 -4.14 118.16 112.59 1dmo n LYS 115 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.10 1dmo n LYS 115 Cb 0.25 -1.03 -0.13 0.00 -0.00 0.00 0.00 35.03 34.12 1dmo n LYS 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1dmo s LEU 116 N -0.79 0.03 1.34 -5.58 1.43 -1.26 -5.14 118.68 108.71 1dmo s LEU 116 Ca 0.00 -0.59 -0.21 0.00 -1.03 0.00 0.00 54.13 52.30 1dmo s LEU 116 Cb 0.00 0.21 0.33 0.00 0.03 0.00 0.00 46.19 46.76 1dmo s LEU 116 CO 0.00 -0.36 0.74 0.41 0.23 0.00 0.00 176.35 177.37 1dmo n THR 117 N 5.30 0.00 0.08 5.49 -1.04 -1.26 -4.72 114.28 118.13 1dmo n THR 117 Ca -0.05 -0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.85 1dmo n THR 117 Cb 0.47 -0.85 -0.11 0.00 -1.82 0.00 0.00 70.33 68.03 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 -3.42 0.23 -0.56 8.00 1.82 -1.97 -2.54 116.42 117.96 1dmo h ASP 118 Ca -0.34 -0.23 -0.07 0.00 -0.39 0.00 0.00 57.03 55.99 1dmo h ASP 118 Cb 1.14 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 41.05 1dmo h ASP 118 CO 0.20 1.15 0.07 1.05 -1.61 0.00 0.00 179.24 180.11 1dmo h GLU 119 N 0.05 0.98 -0.12 0.28 4.11 -1.99 0.46 114.58 118.35 1dmo h GLU 119 Ca -0.07 -0.26 -0.22 0.00 0.07 0.00 0.00 59.36 58.89 1dmo h GLU 119 Cb 1.81 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.95 1dmo h GLU 119 CO 0.16 0.92 -0.79 0.93 0.07 0.00 0.00 179.01 180.31 1dmo h GLU 120 N 0.92 0.69 0.00 1.06 5.08 -1.91 -2.44 114.58 117.98 1dmo h GLU 120 Ca 0.18 -0.57 -0.13 0.00 -1.00 0.00 0.00 59.36 57.84 1dmo h GLU 120 Cb 0.43 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1dmo h GLU 120 CO 0.01 1.19 -0.60 0.28 -1.00 0.00 0.00 179.01 178.89 1dmo h VAL 121 N 0.46 1.36 -0.04 3.13 2.07 -1.19 -2.51 116.25 119.54 1dmo h VAL 121 Ca -0.05 -2.10 -0.02 0.00 0.82 0.00 0.00 66.70 65.34 1dmo h VAL 121 Cb 1.40 2.16 -0.00 0.00 -1.52 0.00 0.00 31.29 33.33 1dmo h VAL 121 CO 0.15 0.59 -0.06 -0.78 0.02 0.00 0.00 177.57 177.49 1dmo h ASP 122 N 0.00 0.13 -0.13 0.57 3.58 -0.02 0.14 116.42 120.68 1dmo h ASP 122 Ca -0.01 -0.53 -0.02 0.00 0.42 0.00 0.00 57.03 56.89 1dmo h ASP 122 Cb 1.11 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.11 1dmo h ASP 122 CO 0.08 0.64 0.03 -0.08 -2.88 0.00 0.00 179.24 177.02 1dmo h GLU 123 N -0.38 0.29 0.03 0.28 4.81 -1.45 -2.27 114.58 115.90 1dmo h GLU 123 Ca 0.00 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 1dmo h GLU 123 Cb 0.61 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.94 1dmo h GLU 123 CO 0.01 0.30 -0.41 1.98 -0.73 0.00 0.00 179.01 180.17 1dmo h MET 124 N 0.29 0.22 -0.85 1.92 4.05 -1.36 -3.21 114.93 115.99 1dmo h MET 124 Ca 0.07 -0.28 0.15 0.00 -0.28 0.00 0.00 59.70 59.37 1dmo h MET 124 Cb 0.16 0.09 -0.10 0.00 -0.80 0.00 0.00 31.60 30.95 1dmo h MET 124 CO -0.00 1.04 0.43 0.82 0.23 0.00 0.00 176.91 179.43 1dmo h ILE 125 N -0.47 0.70 0.00 1.77 2.04 -0.46 0.83 117.51 121.92 1dmo h ILE 125 Ca -0.06 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1dmo h ILE 125 Cb 1.21 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1dmo h ILE 125 CO 0.08 0.11 -0.03 0.03 0.00 0.00 0.00 178.15 178.34 1dmo h ARG 126 N 0.60 0.00 -0.02 2.37 3.08 -1.48 0.21 114.38 119.14 1dmo h ARG 126 Ca 0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.52 1dmo h ARG 126 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.75 1dmo h ARG 126 CO -0.38 0.03 -0.01 -1.91 -1.07 0.00 0.00 179.97 176.63 1dmo n GLU 127 N -4.06 1.83 0.00 0.04 4.07 0.27 -4.21 120.64 118.58 1dmo n GLU 127 Ca -0.03 -1.23 0.00 0.00 -0.06 0.00 0.00 57.16 55.84 1dmo n GLU 127 Cb 0.12 -1.47 0.00 0.00 -0.06 0.00 0.00 31.44 30.02 1dmo n GLU 127 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1dmo n ALA 128 N 0.49 1.86 -4.08 4.31 0.00 0.74 -4.77 120.51 119.05 1dmo n ALA 128 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.21 1dmo n ALA 128 Cb 0.43 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 0.46 -2.76 -4.96 0.00 0.23 -1.26 -4.74 115.26 102.23 1dmo n ASN 129 Ca 0.00 -1.18 -0.22 0.00 -0.53 0.00 0.00 54.58 52.64 1dmo n ASN 129 Cb 0.18 -1.43 0.03 0.00 -2.08 0.00 0.00 39.78 36.48 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 -3.79 3.07 0.00 1.53 1.01 -1.26 -4.96 121.20 116.79 1dmo s ILE 130 Ca 0.36 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.47 1dmo s ILE 130 Cb -0.20 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.10 1dmo s ILE 130 CO 0.89 -0.13 0.00 0.47 0.00 0.00 0.00 174.94 176.17 1dmo n ASP 131 N -2.34 0.00 0.00 3.58 9.92 -1.26 -5.05 116.55 121.39 1dmo n ASP 131 Ca 0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.32 1dmo n ASP 131 Cb 0.59 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.07 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 2.62 0.04 0.28 0.44 0.00 -1.26 -4.91 105.19 102.39 1dmo n GLY 132 Ca 0.00 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.13 1dmo n GLY 132 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dmo h ASP 133 N 0.00 0.00 0.00 1.61 5.19 -2.05 -3.45 116.42 117.72 1dmo h ASP 133 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1dmo h ASP 133 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1dmo h ASP 133 CO 0.00 0.04 0.00 0.61 -3.12 0.00 0.00 179.24 176.77 1dmo n GLY 134 N -1.19 1.70 3.89 2.75 0.00 -1.26 -4.99 105.19 106.09 1dmo n GLY 134 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.40 3.71 -0.11 1.61 -0.21 -1.26 -0.35 119.66 122.65 1dmo s GLN 135 Ca 0.00 0.18 -0.05 0.00 0.02 0.00 0.00 55.36 55.51 1dmo s GLN 135 Cb 0.00 -2.59 0.05 0.00 1.00 0.00 0.00 33.01 31.47 1dmo s GLN 135 CO 0.00 0.19 0.25 0.08 -2.12 0.00 0.00 175.29 173.69 1dmo s VAL 136 N -2.06 -0.16 -1.16 1.09 1.01 0.14 -4.56 120.40 114.70 1dmo s VAL 136 Ca 0.46 0.20 -0.22 0.00 0.00 0.00 0.00 61.98 62.42 1dmo s VAL 136 Cb -0.11 -0.40 -0.07 0.00 0.00 0.00 0.00 36.38 35.80 1dmo s VAL 136 CO 0.27 0.08 1.91 -3.20 0.00 0.00 0.00 175.10 174.17 1dmo n ASN 137 N 4.61 3.29 -0.39 3.32 2.85 -1.26 -0.77 115.26 126.90 1dmo n ASN 137 Ca -0.19 -2.73 0.35 0.00 -0.11 0.00 0.00 54.58 51.90 1dmo n ASN 137 Cb 0.52 -1.67 0.60 0.00 1.24 0.00 0.00 39.78 40.47 1dmo n ASN 137 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1dmo n TYR 138 N 12.61 0.77 0.22 1.20 0.18 -1.15 -0.73 117.16 130.25 1dmo n TYR 138 Ca 0.46 0.78 -0.10 0.00 1.88 0.00 0.00 57.90 60.92 1dmo n TYR 138 Cb 0.46 -1.20 -0.05 0.00 -0.38 0.00 0.00 39.34 38.17 1dmo n TYR 138 CO 0.00 0.00 0.00 0.93 -2.08 0.00 0.00 176.86 175.71 1dmo h GLU 139 N 0.00 -0.59 -0.02 -3.48 5.08 -1.86 0.54 114.58 114.25 1dmo h GLU 139 Ca 0.80 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 59.21 1dmo h GLU 139 Cb 2.44 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 31.83 1dmo h GLU 139 CO -0.51 -0.40 0.22 0.93 -1.00 0.00 0.00 179.01 178.25 1dmo h GLU 140 N -0.62 0.00 0.03 2.33 4.39 -1.29 0.50 114.58 119.92 1dmo h GLU 140 Ca -0.05 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.43 1dmo h GLU 140 Cb 0.50 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1dmo h GLU 140 CO 0.05 0.00 -0.97 0.35 -1.16 0.00 0.00 179.01 177.28 1dmo h PHE 141 N 0.00 0.26 0.00 4.33 3.04 0.26 -2.54 116.94 122.30 1dmo h PHE 141 Ca 0.01 -0.16 -0.04 0.00 3.98 0.00 0.00 57.97 61.76 1dmo h PHE 141 Cb 0.45 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.93 1dmo h PHE 141 CO 0.00 1.03 -0.21 0.28 -2.02 0.00 0.00 178.31 177.40 1dmo h VAL 142 N 0.07 0.56 0.09 1.41 2.07 0.51 -2.32 116.25 118.64 1dmo h VAL 142 Ca -0.05 -1.02 -0.35 0.00 0.82 0.00 0.00 66.70 66.10 1dmo h VAL 142 Cb 1.65 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 33.08 1dmo h VAL 142 CO 0.15 0.20 -1.94 0.00 0.02 0.00 0.00 177.57 176.00 1dmo n GLN 143 N -3.43 0.73 0.00 1.57 6.02 -1.09 -4.09 117.38 117.09 1dmo n GLN 143 Ca -0.00 0.27 0.14 0.00 -0.01 0.00 0.00 57.00 57.39 1dmo n GLN 143 Cb 0.39 -1.73 0.63 0.00 1.02 0.00 0.00 30.24 30.56 1dmo n GLN 143 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 1dmo n MET 144 N -3.37 0.04 0.00 -1.09 1.56 -0.96 -3.11 117.12 110.18 1dmo n MET 144 Ca -0.29 0.00 0.10 0.00 -0.27 0.00 0.00 57.70 57.25 1dmo n MET 144 Cb 1.05 -1.50 0.61 0.00 2.15 0.00 0.00 33.22 35.53 1dmo n MET 144 CO 0.00 0.00 0.00 -1.33 -0.73 0.00 0.00 175.97 173.91 1dmo n MET 145 N -1.48 0.72 -3.15 2.12 2.81 -0.88 -4.34 117.12 112.92 1dmo n MET 145 Ca 0.08 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 56.01 1dmo n MET 145 Cb 0.33 -1.45 -0.00 0.00 -0.71 0.00 0.00 33.22 31.39 1dmo n MET 145 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1dmo s THR 146 N -2.00 -0.83 0.01 2.03 2.01 -1.18 -5.04 115.64 110.64 1dmo s THR 146 Ca 0.31 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.31 1dmo s THR 146 Cb 0.14 -0.78 0.00 0.00 0.01 0.00 0.00 72.50 71.87 1dmo s THR 146 CO 0.24 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.17 1dmo n ALA 147 N 5.28 3.00 -0.69 7.40 0.00 -1.26 -4.95 120.51 129.29 1dmo n ALA 147 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1dmo n ALA 147 Cb 0.55 0.47 0.00 0.00 0.00 0.00 0.00 19.45 20.47 1dmo n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13