#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 -0.01 -1.30 0.00 9.92 -1.26 -5.05 116.55 118.85 1dmo n ASP 2 Ca 0.00 -0.07 -0.03 0.00 -0.53 0.00 0.00 54.79 54.16 1dmo n ASP 2 Cb 0.00 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1dmo n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1dmo n GLN 3 N -0.08 0.29 -0.83 -1.24 0.00 -1.26 -5.14 117.38 109.11 1dmo n GLN 3 Ca 0.00 -0.67 -0.34 0.00 0.00 0.00 0.00 57.00 55.99 1dmo n GLN 3 Cb 0.00 0.42 0.11 0.00 0.00 0.00 0.00 30.24 30.77 1dmo n GLN 3 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1dmo n LEU 4 N -0.33 -2.28 -4.76 2.61 4.32 -1.26 -4.81 117.00 110.48 1dmo n LEU 4 Ca -0.15 0.16 -0.41 0.00 -0.02 0.00 0.00 56.01 55.58 1dmo n LEU 4 Cb 0.60 -0.98 -0.02 0.00 -1.62 0.00 0.00 43.42 41.41 1dmo n LEU 4 CO -0.09 -3.93 1.15 0.42 -1.22 0.00 0.00 177.39 173.72 1dmo s THR 5 N -2.23 2.32 0.35 -5.08 -4.23 -1.26 -4.79 115.64 100.72 1dmo s THR 5 Ca 0.51 0.29 0.16 0.00 -1.18 0.00 0.00 61.69 61.46 1dmo s THR 5 Cb -0.15 -3.18 0.34 0.00 1.34 0.00 0.00 72.50 70.85 1dmo s THR 5 CO 0.70 0.05 1.62 -0.33 -0.54 0.00 0.00 174.62 176.13 1dmo h GLU 6 N 4.33 0.16 0.50 3.99 3.07 -1.99 0.25 114.58 124.90 1dmo h GLU 6 Ca -0.48 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.35 1dmo h GLU 6 Cb 1.22 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 1dmo h GLU 6 CO 0.74 0.11 -0.24 1.49 -1.40 0.00 0.00 179.01 179.71 1dmo h GLU 7 N 0.17 -0.64 -1.04 2.33 4.57 -1.99 0.38 114.58 118.35 1dmo h GLU 7 Ca 0.76 0.04 0.28 0.00 -1.18 0.00 0.00 59.36 59.26 1dmo h GLU 7 Cb 1.85 0.15 -0.11 0.00 -0.16 0.00 0.00 28.75 30.47 1dmo h GLU 7 CO -0.69 -0.36 0.64 1.96 -1.18 0.00 0.00 179.01 179.38 1dmo h GLN 8 N -0.83 0.42 -0.01 1.92 1.08 -0.91 1.39 115.11 118.18 1dmo h GLN 8 Ca -0.07 -0.03 -0.13 0.00 -1.45 0.00 0.00 58.65 56.98 1dmo h GLN 8 Cb 0.58 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 1dmo h GLN 8 CO 0.11 0.28 -0.59 0.82 -0.95 0.00 0.00 178.83 178.50 1dmo h ILE 9 N 0.44 1.42 -0.44 2.54 2.04 -0.67 -1.98 117.51 120.85 1dmo h ILE 9 Ca 0.65 -2.02 -0.09 0.00 1.00 0.00 0.00 64.86 64.40 1dmo h ILE 9 Cb 1.49 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 39.64 1dmo h ILE 9 CO -0.41 0.58 -0.06 0.00 0.00 0.00 0.00 178.15 178.26 1dmo h ALA 10 N 1.38 0.60 -0.02 1.87 0.00 0.40 -0.97 119.26 122.51 1dmo h ALA 10 Ca -0.01 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 1dmo h ALA 10 Cb 1.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1dmo h ALA 10 CO 0.08 0.45 -0.50 0.93 0.00 0.00 0.00 179.25 180.20 1dmo h GLU 11 N 0.65 0.06 -0.03 0.00 5.08 -1.06 -2.29 114.58 116.98 1dmo h GLU 11 Ca 0.12 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1dmo h GLU 11 Cb 0.58 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 1dmo h GLU 11 CO 0.03 0.55 -0.01 0.74 -1.00 0.00 0.00 179.01 179.33 1dmo h PHE 12 N 0.05 0.07 -0.84 4.33 -1.00 -1.01 -2.71 116.94 115.83 1dmo h PHE 12 Ca -0.00 -0.01 0.03 0.00 2.81 0.00 0.00 57.97 60.80 1dmo h PHE 12 Cb 0.90 -0.02 -0.05 0.00 3.61 0.00 0.00 35.95 40.40 1dmo h PHE 12 CO 0.00 0.39 0.56 -0.22 -1.61 0.00 0.00 178.31 177.43 1dmo h LYS 13 N -0.27 1.02 -0.50 1.51 3.64 -1.10 -0.09 116.57 120.77 1dmo h LYS 13 Ca 0.01 -0.06 0.10 0.00 -1.27 0.00 0.00 60.65 59.43 1dmo h LYS 13 Cb 0.37 -0.23 -0.09 0.00 -0.41 0.00 0.00 32.23 31.87 1dmo h LYS 13 CO 0.00 0.68 -0.06 1.49 -2.27 0.00 0.00 179.45 179.29 1dmo h GLU 14 N 1.05 0.05 0.44 1.90 4.81 -1.15 0.62 114.58 122.31 1dmo h GLU 14 Ca 0.33 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.54 1dmo h GLU 14 Cb 0.02 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1dmo h GLU 14 CO -0.10 0.04 -0.21 0.00 -0.73 0.00 0.00 179.01 178.01 1dmo h ALA 15 N 1.48 -0.59 -0.96 2.92 0.00 -0.89 -1.56 119.26 119.65 1dmo h ALA 15 Ca 0.25 -0.16 0.28 0.00 0.00 0.00 0.00 54.91 55.28 1dmo h ALA 15 Cb 0.39 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1dmo h ALA 15 CO -0.47 -0.77 0.81 0.35 0.00 0.00 0.00 179.25 179.17 1dmo h PHE 16 N -0.72 0.00 0.08 0.00 3.57 0.25 0.60 116.94 120.72 1dmo h PHE 16 Ca -0.06 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1dmo h PHE 16 Cb 0.52 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.26 1dmo h PHE 16 CO -0.02 0.00 -0.04 0.66 -2.23 0.00 0.00 178.31 176.68 1dmo h SER 17 N 0.00 -0.10 -1.36 0.41 4.64 0.12 -3.07 113.55 114.19 1dmo h SER 17 Ca 0.46 -0.50 0.39 0.00 -0.47 0.00 0.00 61.79 61.67 1dmo h SER 17 Cb 2.07 0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 64.13 1dmo h SER 17 CO -0.00 0.53 0.98 -0.07 -0.87 0.00 0.00 176.83 177.39 1dmo h LEU 18 N -0.81 0.01 -7.28 5.97 3.38 -0.24 -2.83 115.31 113.50 1dmo h LEU 18 Ca -0.01 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.33 1dmo h LEU 18 Cb 0.59 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.93 1dmo h LEU 18 CO 0.02 -0.00 -0.64 -0.36 0.09 0.00 0.00 178.44 177.55 1dmo s PHE 19 N -4.93 3.08 0.00 1.13 0.08 -0.99 -5.04 117.98 111.30 1dmo s PHE 19 Ca -0.05 -3.11 0.00 0.00 0.12 0.00 0.00 56.93 53.89 1dmo s PHE 19 Cb 0.24 -2.68 0.00 0.00 -0.57 0.00 0.00 43.02 40.01 1dmo s PHE 19 CO 0.83 -0.72 0.00 -0.40 -0.10 0.00 0.00 175.22 174.83 1dmo n ASP 20 N 2.98 0.00 0.00 1.36 5.75 -1.07 -4.65 116.55 120.93 1dmo n ASP 20 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.86 1dmo n ASP 20 Cb 0.33 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 1dmo n ASP 20 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1dmo n LYS 21 N 0.00 0.00 -0.04 0.11 4.81 -1.26 -4.68 118.16 117.10 1dmo n LYS 21 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1dmo n LYS 21 Cb 0.00 -3.86 0.02 0.00 0.02 0.00 0.00 35.03 31.21 1dmo n LYS 21 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1dmo n ASP 22 N 0.00 1.33 0.00 3.14 9.92 -1.24 -4.26 116.55 125.44 1dmo n ASP 22 Ca 0.00 -2.05 0.00 0.00 -0.53 0.00 0.00 54.79 52.21 1dmo n ASP 22 Cb 0.00 -0.51 0.00 0.00 -0.64 0.00 0.00 41.12 39.97 1dmo n ASP 22 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1dmo n GLY 23 N 0.05 -1.37 3.74 0.44 0.00 -1.22 -4.75 105.19 102.07 1dmo n GLY 23 Ca 0.01 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1dmo n GLY 23 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dmo n ASP 24 N 0.00 0.00 0.00 1.61 8.00 -1.26 -2.48 116.55 122.42 1dmo n ASP 24 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1dmo n ASP 24 Cb 0.00 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 40.38 1dmo n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dmo n GLY 25 N -2.00 1.82 3.71 0.44 0.00 -1.26 -4.78 105.19 103.11 1dmo n GLY 25 Ca 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 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 2.53 0.42 2.61 -4.23 -1.04 -4.12 115.64 111.81 1dmo s THR 26 Ca 0.00 0.17 0.07 0.00 -1.18 0.00 0.00 61.69 60.75 1dmo s THR 26 Cb 0.00 -2.65 -0.07 0.00 1.34 0.00 0.00 72.50 71.12 1dmo s THR 26 CO 0.00 -0.23 0.05 0.27 -0.54 0.00 0.00 174.62 174.18 1dmo s ILE 27 N -2.93 2.03 -0.05 2.99 -4.36 -0.39 -3.43 121.20 115.06 1dmo s ILE 27 Ca 0.64 -1.92 -0.03 0.00 -0.26 0.00 0.00 60.65 59.07 1dmo s ILE 27 Cb -0.18 -2.95 -0.04 0.00 1.25 0.00 0.00 42.46 40.54 1dmo s ILE 27 CO 0.57 0.00 0.11 0.42 0.24 0.00 0.00 174.94 176.28 1dmo s THR 28 N -2.69 5.07 0.49 8.37 -4.23 -1.26 0.03 115.64 121.42 1dmo s THR 28 Ca 0.35 -0.15 0.40 0.00 -1.18 0.00 0.00 61.69 61.11 1dmo s THR 28 Cb 0.08 -3.28 0.60 0.00 1.34 0.00 0.00 72.50 71.24 1dmo s THR 28 CO 0.18 0.46 1.58 0.71 -0.54 0.00 0.00 174.62 177.01 1dmo h THR 29 N 3.46 0.02 -0.48 3.99 1.35 -1.90 1.26 112.91 120.61 1dmo h THR 29 Ca -0.51 -0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 65.26 1dmo h THR 29 Cb 1.20 0.01 -0.02 0.00 -1.73 0.00 0.00 68.15 67.61 1dmo h THR 29 CO 0.62 0.00 -0.05 0.07 -0.25 0.00 0.00 175.52 175.91 1dmo h LYS 30 N 0.01 0.88 -0.00 4.72 2.10 -1.95 -2.48 116.57 119.84 1dmo h LYS 30 Ca 0.90 -0.31 0.00 0.00 -2.00 0.00 0.00 60.65 59.24 1dmo h LYS 30 Cb 3.19 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 34.45 1dmo h LYS 30 CO -0.28 0.95 -0.02 0.39 -2.00 0.00 0.00 179.45 178.49 1dmo n GLU 31 N -4.29 0.11 0.09 0.07 1.02 0.42 -4.03 120.64 114.03 1dmo n GLU 31 Ca 0.00 -0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 1dmo n GLU 31 Cb 0.35 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.19 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 0.01 -1.19 -0.98 -4.62 5.85 -0.62 -1.63 115.31 112.13 1dmo h LEU 32 Ca 0.00 0.12 0.32 0.00 0.84 0.00 0.00 57.88 59.16 1dmo h LEU 32 Cb 0.45 0.44 -0.17 0.00 0.37 0.00 0.00 40.66 41.74 1dmo h LEU 32 CO 0.00 -0.42 0.27 1.23 -0.34 0.00 0.00 178.44 179.18 1dmo h GLY 33 N -0.58 1.67 0.73 3.75 0.00 -1.72 0.53 103.07 107.45 1dmo h GLY 33 Ca -0.01 -0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.35 1dmo h GLY 33 CO -0.21 -0.59 -0.04 -0.84 0.00 0.00 0.00 176.54 174.86 1dmo h THR 34 N 0.06 0.85 -0.08 4.70 2.02 -1.55 0.27 112.91 119.19 1dmo h THR 34 Ca 0.69 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.90 1dmo h THR 34 Cb 1.59 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 68.82 1dmo h THR 34 CO -0.81 0.00 -0.11 0.58 0.37 0.00 0.00 175.52 175.55 1dmo h VAL 35 N -0.01 0.71 -0.81 3.16 2.07 0.46 -1.48 116.25 120.34 1dmo h VAL 35 Ca 0.06 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.69 1dmo h VAL 35 Cb 0.11 0.71 -0.08 0.00 -1.52 0.00 0.00 31.29 30.51 1dmo h VAL 35 CO -0.14 0.00 0.45 0.24 0.02 0.00 0.00 177.57 178.14 1dmo h MET 36 N -0.14 0.71 0.00 1.57 2.86 -0.94 0.43 114.93 119.42 1dmo h MET 36 Ca 0.07 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1dmo h MET 36 Cb 0.24 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 1dmo h MET 36 CO -0.17 0.47 -0.01 0.00 1.06 0.00 0.00 176.91 178.26 1dmo h ARG 37 N 0.73 0.00 0.13 1.72 3.08 0.04 -2.55 114.38 117.53 1dmo h ARG 37 Ca 0.40 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 60.15 1dmo h ARG 37 Cb 0.42 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 1dmo h ARG 37 CO -0.27 0.01 -1.55 0.77 -1.07 0.00 0.00 179.97 177.86 1dmo h SER 38 N 0.00 0.41 -0.80 7.04 0.02 0.60 -3.32 113.55 117.50 1dmo h SER 38 Ca -0.00 -0.87 0.23 0.00 -0.84 0.00 0.00 61.79 60.31 1dmo h SER 38 Cb 0.06 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 1dmo h SER 38 CO 0.00 1.68 0.91 -0.07 -1.14 0.00 0.00 176.83 178.21 1dmo h LEU 39 N -0.21 0.00 0.00 5.07 4.07 -0.78 -3.42 115.31 120.04 1dmo h LEU 39 Ca -0.33 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.63 1dmo h LEU 39 Cb 1.84 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.58 1dmo h LEU 39 CO 0.07 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.04 1dmo n GLY 40 N -1.63 0.49 3.69 0.83 0.00 -1.23 -5.08 105.19 102.27 1dmo n GLY 40 Ca 0.17 -0.77 0.01 0.00 0.00 0.00 0.00 46.02 45.44 1dmo n GLY 40 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1dmo s GLN 41 N -0.17 0.44 -0.52 1.61 -2.07 -1.25 -5.08 119.66 112.63 1dmo s GLN 41 Ca 0.00 -0.26 0.03 0.00 -1.82 0.00 0.00 55.36 53.32 1dmo s GLN 41 Cb 0.00 0.14 0.14 0.00 -1.09 0.00 0.00 33.01 32.21 1dmo s GLN 41 CO 0.00 -0.20 0.30 -0.80 -1.32 0.00 0.00 175.29 173.26 1dmo s ASN 42 N -3.13 4.01 0.69 12.60 0.02 -1.26 -4.27 114.94 123.60 1dmo s ASN 42 Ca 0.17 -3.02 -0.13 0.00 -1.02 0.00 0.00 52.86 48.86 1dmo s ASN 42 Cb 0.04 -1.35 0.01 0.00 0.02 0.00 0.00 41.25 39.97 1dmo s ASN 42 CO -0.03 -0.22 1.09 -2.16 0.02 0.00 0.00 177.10 175.80 1dmo s PRO 43 N -0.23 2.73 -0.08 -0.60 0.04 -1.26 -5.03 135.00 130.57 1dmo s PRO 43 Ca 0.19 1.21 -0.10 0.00 0.04 0.00 0.00 61.00 62.35 1dmo s PRO 43 Cb -0.20 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 1dmo s PRO 43 CO -0.04 -1.28 0.24 0.99 0.04 0.00 0.00 177.00 176.95 1dmo s THR 44 N -2.66 5.33 -0.23 1.26 2.01 -1.26 -4.95 115.64 115.14 1dmo s THR 44 Ca 0.63 0.44 0.17 0.00 0.31 0.00 0.00 61.69 63.24 1dmo s THR 44 Cb -0.18 -3.52 0.17 0.00 0.01 0.00 0.00 72.50 68.99 1dmo s THR 44 CO 0.48 0.60 1.49 -0.62 -0.69 0.00 0.00 174.62 175.87 1dmo n GLU 45 N 1.97 0.11 0.00 4.92 1.02 -1.26 -1.57 120.64 125.84 1dmo n GLU 45 Ca -0.18 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 1dmo n GLU 45 Cb 0.54 -1.94 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 1dmo n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dmo n ALA 46 N -1.69 -0.00 -0.27 0.62 0.00 -1.26 -2.34 120.51 115.57 1dmo n ALA 46 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.49 1dmo n ALA 46 Cb 0.10 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.76 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 0.45 -0.23 0.00 5.08 -1.96 0.18 114.58 118.10 1dmo h GLU 47 Ca 0.00 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1dmo h GLU 47 Cb 0.00 -0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.07 1dmo h GLU 47 CO 0.00 0.30 -0.34 1.25 -1.00 0.00 0.00 179.01 179.22 1dmo h LEU 48 N 0.47 -1.09 -1.05 1.33 5.85 -1.44 0.19 115.31 119.57 1dmo h LEU 48 Ca 0.44 0.17 0.09 0.00 0.84 0.00 0.00 57.88 59.42 1dmo h LEU 48 Cb 0.69 0.48 -0.07 0.00 0.37 0.00 0.00 40.66 42.12 1dmo h LEU 48 CO -0.42 -0.36 0.63 1.56 -0.34 0.00 0.00 178.44 179.52 1dmo h GLN 49 N -0.36 1.03 -0.78 1.25 4.20 -0.38 -0.61 115.11 119.46 1dmo h GLN 49 Ca 0.12 -0.06 0.10 0.00 0.06 0.00 0.00 58.65 58.87 1dmo h GLN 49 Cb 0.56 -0.23 -0.08 0.00 0.30 0.00 0.00 27.48 28.03 1dmo h GLN 49 CO -0.43 0.68 0.41 0.22 -0.67 0.00 0.00 178.83 179.04 1dmo h ASP 50 N 1.06 0.55 -0.05 1.46 1.82 0.19 -2.08 116.42 119.37 1dmo h ASP 50 Ca 0.45 0.06 -0.02 0.00 -0.39 0.00 0.00 57.03 57.13 1dmo h ASP 50 Cb 0.33 -0.04 -0.00 0.00 0.68 0.00 0.00 39.33 40.30 1dmo h ASP 50 CO -0.21 0.30 -0.05 0.24 -1.61 0.00 0.00 179.24 177.91 1dmo h MET 51 N 0.68 0.12 -0.56 0.28 2.86 0.14 -3.27 114.93 115.17 1dmo h MET 51 Ca 0.39 -0.07 0.09 0.00 -2.06 0.00 0.00 59.70 58.05 1dmo h MET 51 Cb 0.42 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 31.98 1dmo h MET 51 CO -0.28 0.59 -0.42 0.82 1.06 0.00 0.00 176.91 178.68 1dmo h ILE 52 N -0.34 0.10 -1.43 -1.22 5.03 -0.79 0.50 117.51 119.36 1dmo h ILE 52 Ca 0.01 0.00 0.41 0.00 -0.12 0.00 0.00 64.86 65.16 1dmo h ILE 52 Cb 0.57 0.10 -0.06 0.00 -3.03 0.00 0.00 36.82 34.39 1dmo h ILE 52 CO 0.01 0.00 1.02 -1.13 -0.68 0.00 0.00 178.15 177.37 1dmo h ASN 53 N -0.23 0.04 0.00 1.72 -0.00 -1.45 -0.82 115.58 114.84 1dmo h ASN 53 Ca 0.18 0.01 0.00 0.00 -0.00 0.00 0.00 56.30 56.49 1dmo h ASN 53 Cb 0.56 0.01 0.00 0.00 -0.00 0.00 0.00 38.32 38.89 1dmo h ASN 53 CO -0.68 -0.01 -0.03 -0.33 -0.00 0.00 0.00 177.43 176.39 1dmo h GLU 54 N 0.03 0.00 0.00 6.67 5.08 -0.11 -3.30 114.58 122.94 1dmo h GLU 54 Ca 0.69 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.05 1dmo h GLU 54 Cb 2.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.95 1dmo h GLU 54 CO -0.05 0.00 0.00 1.33 -1.00 0.00 0.00 179.01 179.29 1dmo n VAL 55 N -2.90 0.00 -0.45 3.13 0.24 -0.77 -2.46 118.33 115.13 1dmo n VAL 55 Ca -0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.14 1dmo n VAL 55 Cb 0.01 -0.69 0.09 0.00 -1.47 0.00 0.00 33.84 31.78 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 -0.62 4.18 0.00 -1.34 2.03 -0.35 -3.67 116.55 116.77 1dmo n ASP 56 Ca 0.00 -3.00 0.00 0.00 0.52 0.00 0.00 54.79 52.31 1dmo n ASP 56 Cb 0.00 -0.78 0.00 0.00 -0.72 0.00 0.00 41.12 39.62 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 -0.34 1.01 -0.14 -1.67 0.00 -1.03 -4.83 120.51 113.51 1dmo n ALA 57 Ca 0.35 -0.41 -0.06 0.00 0.00 0.00 0.00 53.44 53.33 1dmo n ALA 57 Cb 1.05 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.54 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 0.35 0.00 0.00 3.32 -1.83 -3.47 116.42 114.79 1dmo h ASP 58 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1dmo h ASP 58 Cb 0.63 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1dmo h ASP 58 CO 0.00 0.25 0.00 0.61 -1.72 0.00 0.00 179.24 178.38 1dmo n GLY 59 N -1.23 2.20 0.10 2.75 0.00 -1.26 -4.92 105.19 102.82 1dmo n GLY 59 Ca 0.03 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 45.93 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 0.74 0.00 1.61 5.15 -1.26 -4.96 115.26 116.55 1dmo n ASN 60 Ca 0.00 0.25 0.00 0.00 -0.60 0.00 0.00 54.58 54.23 1dmo n ASN 60 Cb 0.00 0.60 0.00 0.00 -0.53 0.00 0.00 39.78 39.85 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 1.21 2.82 3.72 8.20 0.00 -1.26 -5.02 105.19 114.85 1dmo n GLY 61 Ca -0.00 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.55 2.08 -0.16 2.61 -4.23 -1.26 -4.45 115.64 108.68 1dmo s THR 62 Ca 0.00 0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.54 1dmo s THR 62 Cb 0.00 -2.61 -0.00 0.00 1.34 0.00 0.00 72.50 71.23 1dmo s THR 62 CO 0.00 -0.03 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.27 1dmo s ILE 63 N -3.08 2.67 0.63 2.99 1.01 0.10 -4.88 121.20 120.65 1dmo s ILE 63 Ca 0.65 -0.76 -0.02 0.00 0.00 0.00 0.00 60.65 60.51 1dmo s ILE 63 Cb -0.17 -2.13 0.06 0.00 0.01 0.00 0.00 42.46 40.22 1dmo s ILE 63 CO 0.56 0.51 0.90 -1.81 0.00 0.00 0.00 174.94 175.10 1dmo s ASP 64 N 0.88 4.97 0.22 3.58 1.11 -1.26 -1.26 116.67 124.91 1dmo s ASP 64 Ca -0.04 0.15 -0.08 0.00 0.18 0.00 0.00 52.55 52.76 1dmo s ASP 64 Cb -0.15 -0.88 0.31 0.00 1.07 0.00 0.00 42.92 43.27 1dmo s ASP 64 CO -0.01 -1.41 1.79 0.15 1.18 0.00 0.00 175.17 176.86 1dmo h PHE 65 N -0.28 0.64 0.78 4.23 3.57 -1.97 -1.77 116.94 122.15 1dmo h PHE 65 Ca -0.43 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.07 1dmo h PHE 65 Cb 1.30 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.86 1dmo h PHE 65 CO 0.28 0.25 -0.43 -1.00 -2.23 0.00 0.00 178.31 175.18 1dmo h PRO 66 N 0.62 -1.08 -1.03 6.41 0.13 -2.00 -0.98 132.00 134.08 1dmo h PRO 66 Ca 0.33 0.07 0.26 0.00 -0.87 0.00 0.00 66.00 65.80 1dmo h PRO 66 Cb 0.32 0.25 -0.09 0.00 0.13 0.00 0.00 31.00 31.60 1dmo h PRO 66 CO -0.24 -0.72 0.66 0.93 -0.23 0.00 0.00 178.00 178.40 1dmo h GLU 67 N -1.12 0.39 -0.49 0.86 3.07 -1.91 0.75 114.58 116.13 1dmo h GLU 67 Ca -0.10 -0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 58.65 1dmo h GLU 67 Cb 0.88 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.69 1dmo h GLU 67 CO 0.14 0.26 -0.04 0.35 -1.40 0.00 0.00 179.01 178.32 1dmo h PHE 68 N 0.40 0.92 -0.75 4.33 3.57 -0.59 -2.10 116.94 122.72 1dmo h PHE 68 Ca 0.58 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.93 1dmo h PHE 68 Cb 1.46 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.92 1dmo h PHE 68 CO -0.00 0.86 0.46 -0.07 -2.23 0.00 0.00 178.31 177.33 1dmo h LEU 69 N 0.78 0.89 0.59 0.59 3.38 0.18 0.23 115.31 121.95 1dmo h LEU 69 Ca 0.14 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1dmo h LEU 69 Cb 0.52 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.05 1dmo h LEU 69 CO 0.03 0.68 -0.28 0.74 0.09 0.00 0.00 178.44 179.70 1dmo h THR 70 N 1.03 0.25 -0.17 0.22 2.02 -0.88 0.53 112.91 115.92 1dmo h THR 70 Ca 0.27 -0.35 -0.06 0.00 0.77 0.00 0.00 66.41 67.04 1dmo h THR 70 Cb -0.06 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 1dmo h THR 70 CO -0.05 0.03 -0.18 0.00 0.37 0.00 0.00 175.52 175.69 1dmo h MET 71 N -1.06 0.28 0.05 6.66 -0.00 -1.27 -1.29 114.93 118.29 1dmo h MET 71 Ca -0.08 -0.08 -0.23 0.00 -0.00 0.00 0.00 59.70 59.31 1dmo h MET 71 Cb 0.66 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 32.22 1dmo h MET 71 CO 0.13 0.46 -1.07 1.98 -0.00 0.00 0.00 176.91 178.41 1dmo h MET 72 N 0.26 0.13 -0.05 -0.10 -1.53 -0.53 -3.27 114.93 109.84 1dmo h MET 72 Ca 0.05 -0.20 -0.17 0.00 -3.44 0.00 0.00 59.70 55.94 1dmo h MET 72 Cb 0.47 0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 31.58 1dmo h MET 72 CO 0.03 1.07 -0.70 0.00 0.14 0.00 0.00 176.91 177.45 1dmo h ALA 73 N 0.85 0.72 -0.97 0.39 0.00 0.38 -3.11 119.26 117.51 1dmo h ALA 73 Ca -0.06 -0.61 0.15 0.00 0.00 0.00 0.00 54.91 54.40 1dmo h ALA 73 Cb 1.80 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 19.41 1dmo h ALA 73 CO 0.16 0.79 0.58 0.00 0.00 0.00 0.00 179.25 180.78 1dmo h ARG 74 N 0.17 0.80 0.00 0.00 3.08 -1.29 0.60 114.38 117.74 1dmo h ARG 74 Ca -0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1dmo h ARG 74 Cb 1.25 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1dmo h ARG 74 CO 0.11 0.53 0.00 0.87 -1.07 0.00 0.00 179.97 180.41 1dmo h LYS 75 N 0.83 0.00 0.00 0.04 1.79 -1.66 -3.05 116.57 114.51 1dmo h LYS 75 Ca 0.52 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.84 1dmo h LYS 75 Cb 0.68 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.31 1dmo h LYS 75 CO -0.33 0.00 -1.18 1.98 -1.08 0.00 0.00 179.45 178.84 1dmo h MET 76 N 0.00 0.00 -6.35 3.15 4.05 0.05 -3.48 114.93 112.35 1dmo h MET 76 Ca 0.00 0.00 -0.47 0.00 -0.28 0.00 0.00 59.70 58.95 1dmo h MET 76 Cb 0.74 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.52 1dmo h MET 76 CO 0.00 0.35 -0.86 1.63 0.23 0.00 0.00 176.91 178.26 1dmo n LYS 77 N -2.98 -3.97 -2.00 0.39 5.02 0.85 0.17 118.16 115.65 1dmo n LYS 77 Ca -0.06 0.49 -0.06 0.00 -2.02 0.00 0.00 58.31 56.65 1dmo n LYS 77 Cb 0.81 -4.82 -0.01 0.00 -0.02 0.00 0.00 35.03 30.99 1dmo n LYS 77 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1dmo n ASP 78 N -2.99 -2.20 -1.47 4.39 -0.08 -1.26 -4.43 116.55 108.51 1dmo n ASP 78 Ca -0.28 0.27 0.14 0.00 -1.51 0.00 0.00 54.79 53.41 1dmo n ASP 78 Cb 0.67 -2.06 -0.08 0.00 2.34 0.00 0.00 41.12 41.99 1dmo n ASP 78 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1dmo n THR 79 N -2.39 -1.37 -2.70 5.18 -1.04 0.13 -4.99 114.28 107.09 1dmo n THR 79 Ca -0.07 1.07 -0.04 0.00 -2.04 0.00 0.00 64.05 62.96 1dmo n THR 79 Cb 0.43 -1.66 0.04 0.00 -1.82 0.00 0.00 70.33 67.33 1dmo n THR 79 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1dmo n ASP 80 N -3.98 -1.99 0.00 8.00 8.00 -1.26 -5.04 116.55 120.28 1dmo n ASP 80 Ca -0.08 -1.88 0.00 0.00 0.71 0.00 0.00 54.79 53.54 1dmo n ASP 80 Cb 0.65 1.07 0.00 0.00 -0.02 0.00 0.00 41.12 42.82 1dmo n ASP 80 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1dmo n SER 81 N 2.21 0.00 -0.46 -2.24 3.41 -1.26 -4.74 113.62 110.54 1dmo n SER 81 Ca 0.09 0.00 0.39 0.00 -0.26 0.00 0.00 58.87 59.09 1dmo n SER 81 Cb 0.65 0.00 0.67 0.00 -0.26 0.00 0.00 64.21 65.26 1dmo n SER 81 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1dmo h GLU 82 N 0.00 0.03 -0.60 4.33 4.11 -2.00 1.16 114.58 121.61 1dmo h GLU 82 Ca 0.00 -0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.37 1dmo h GLU 82 Cb 0.00 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1dmo h GLU 82 CO 0.00 0.02 0.13 1.05 0.07 0.00 0.00 179.01 180.28 1dmo h GLU 83 N 0.03 0.97 0.00 1.06 4.11 -1.99 -2.02 114.58 116.75 1dmo h GLU 83 Ca 0.86 -0.24 -0.04 0.00 0.07 0.00 0.00 59.36 60.01 1dmo h GLU 83 Cb 2.74 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 31.86 1dmo h GLU 83 CO -0.47 0.90 -0.20 1.49 0.07 0.00 0.00 179.01 180.80 1dmo h GLU 84 N 0.88 0.00 0.25 1.06 4.81 0.11 -2.51 114.58 119.18 1dmo h GLU 84 Ca 0.19 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1dmo h GLU 84 Cb 0.38 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1dmo h GLU 84 CO 0.01 0.20 -0.12 0.82 -0.73 0.00 0.00 179.01 179.19 1dmo h ILE 85 N 0.00 0.63 -0.87 2.32 2.04 -0.87 -0.89 117.51 119.87 1dmo h ILE 85 Ca -0.00 -0.91 0.20 0.00 1.00 0.00 0.00 64.86 65.14 1dmo h ILE 85 Cb 0.40 1.02 -0.06 0.00 -0.74 0.00 0.00 36.82 37.44 1dmo h ILE 85 CO 0.03 0.15 0.58 0.03 0.00 0.00 0.00 178.15 178.94 1dmo h ARG 86 N -0.91 0.35 -0.05 2.37 3.08 -1.29 -0.50 114.38 117.43 1dmo h ARG 86 Ca -0.03 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 1dmo h ARG 86 Cb 0.50 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1dmo h ARG 86 CO 0.06 0.23 -0.20 1.49 -1.07 0.00 0.00 179.97 180.47 1dmo h GLU 87 N 0.36 0.23 -1.31 0.04 4.81 -1.42 -1.92 114.58 115.37 1dmo h GLU 87 Ca 0.45 -0.18 0.38 0.00 -0.13 0.00 0.00 59.36 59.88 1dmo h GLU 87 Cb 1.17 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.53 1dmo h GLU 87 CO -0.15 0.82 0.94 0.00 -0.73 0.00 0.00 179.01 179.89 1dmo h ALA 88 N 0.41 3.22 0.10 2.92 0.00 0.38 0.18 119.26 126.47 1dmo h ALA 88 Ca -0.01 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.62 1dmo h ALA 88 Cb 0.85 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1dmo h ALA 88 CO 0.04 -1.60 -1.18 0.74 0.00 0.00 0.00 179.25 177.26 1dmo h PHE 89 N 0.01 0.38 -1.02 0.00 0.04 -1.32 -3.32 116.94 111.71 1dmo h PHE 89 Ca 0.63 -0.27 0.30 0.00 2.80 0.00 0.00 57.97 61.42 1dmo h PHE 89 Cb 2.49 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 40.59 1dmo h PHE 89 CO -0.00 1.46 0.77 -0.09 -0.60 0.00 0.00 178.31 179.85 1dmo h ARG 90 N -0.45 0.00 -0.64 1.51 2.43 0.15 0.32 114.38 117.71 1dmo h ARG 90 Ca -0.26 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.04 1dmo h ARG 90 Cb 1.63 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 31.14 1dmo h ARG 90 CO 0.04 0.00 0.43 0.28 -1.51 0.00 0.00 179.97 179.21 1dmo h VAL 91 N 0.00 0.82 -0.25 0.20 2.07 -1.44 0.21 116.25 117.86 1dmo h VAL 91 Ca 0.49 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.90 1dmo h VAL 91 Cb 2.01 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1dmo h VAL 91 CO -0.01 0.06 0.00 0.49 0.02 0.00 0.00 177.57 178.13 1dmo n PHE 92 N -4.45 0.31 -1.16 1.57 3.01 0.11 -4.47 117.46 112.38 1dmo n PHE 92 Ca 0.11 -0.16 -0.21 0.00 1.01 0.00 0.00 57.45 58.21 1dmo n PHE 92 Cb 0.49 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.84 1dmo n PHE 92 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1dmo n ASP 93 N 0.89 6.30 -0.05 4.37 2.03 0.72 -4.55 116.55 126.26 1dmo n ASP 93 Ca 0.17 -2.60 -0.11 0.00 0.52 0.00 0.00 54.79 52.77 1dmo n ASP 93 Cb 0.47 -1.43 -0.05 0.00 -0.72 0.00 0.00 41.12 39.39 1dmo n ASP 93 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1dmo h LYS 94 N 3.52 0.27 -0.28 -0.67 1.57 -1.79 -3.42 116.57 115.77 1dmo h LYS 94 Ca 0.39 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 59.01 1dmo h LYS 94 Cb 1.10 -0.04 -0.15 0.00 0.08 0.00 0.00 32.23 33.22 1dmo h LYS 94 CO 0.71 0.35 -0.29 -3.47 -0.57 0.00 0.00 179.45 176.17 1dmo n ASP 95 N -4.84 -2.31 0.00 0.86 2.03 -1.26 -5.11 116.55 105.92 1dmo n ASP 95 Ca -0.04 -2.30 0.00 0.00 0.52 0.00 0.00 54.79 52.97 1dmo n ASP 95 Cb 0.13 1.29 0.00 0.00 -0.72 0.00 0.00 41.12 41.81 1dmo n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1dmo n GLY 96 N 2.13 2.15 0.20 0.27 0.00 -1.26 -5.07 105.19 103.61 1dmo n GLY 96 Ca 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.00 0.00 1.61 4.05 -1.26 -5.00 115.26 114.66 1dmo n ASN 97 Ca 0.00 -0.75 0.00 0.00 0.45 0.00 0.00 54.58 54.28 1dmo n ASN 97 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1dmo n ASN 97 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1dmo n GLY 98 N 0.00 3.74 3.70 8.20 0.00 -1.26 -5.10 105.19 114.46 1dmo n GLY 98 Ca 0.00 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.86 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 2.21 0.25 1.61 2.02 -1.26 -4.50 117.35 117.67 1dmo s TYR 99 Ca 0.00 1.00 0.04 0.00 -0.37 0.00 0.00 57.07 57.74 1dmo s TYR 99 Cb 0.00 -3.27 -0.05 0.00 -0.40 0.00 0.00 41.96 38.24 1dmo s TYR 99 CO 0.00 -2.73 0.01 0.96 -1.57 0.00 0.00 175.55 172.22 1dmo s ILE 100 N -3.02 1.08 0.21 2.71 -4.36 0.05 -4.83 121.20 113.04 1dmo s ILE 100 Ca 0.65 -2.03 -0.30 0.00 -0.26 0.00 0.00 60.65 58.70 1dmo s ILE 100 Cb -0.18 -2.45 -0.09 0.00 1.25 0.00 0.00 42.46 40.99 1dmo s ILE 100 CO 0.57 -0.24 1.28 -0.55 0.24 0.00 0.00 174.94 176.24 1dmo s SER 101 N -3.35 6.93 0.41 4.36 0.15 -1.26 -0.26 113.70 120.69 1dmo s SER 101 Ca 0.31 2.39 0.07 0.00 0.70 0.00 0.00 55.95 59.42 1dmo s SER 101 Cb 0.06 -2.61 0.86 0.00 -1.71 0.00 0.00 66.02 62.62 1dmo s SER 101 CO 0.10 -0.49 2.06 0.00 1.20 0.00 0.00 173.24 176.11 1dmo h ALA 102 N 5.12 1.70 0.68 5.45 0.00 -1.78 -0.01 119.26 130.42 1dmo h ALA 102 Ca -0.45 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1dmo h ALA 102 Cb 1.22 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.85 1dmo h ALA 102 CO 0.75 0.27 -0.33 0.00 0.00 0.00 0.00 179.25 179.95 1dmo h ALA 103 N 1.74 -1.18 -0.47 0.00 0.00 -1.90 -0.59 119.26 116.86 1dmo h ALA 103 Ca 0.14 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.95 1dmo h ALA 103 Cb -0.05 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 1dmo h ALA 103 CO -0.03 -1.12 -0.06 0.93 0.00 0.00 0.00 179.25 178.97 1dmo h GLU 104 N -0.95 0.05 -0.71 0.00 3.07 -1.92 0.30 114.58 114.42 1dmo h GLU 104 Ca -0.09 -0.00 0.14 0.00 -0.50 0.00 0.00 59.36 58.91 1dmo h GLU 104 Cb 0.70 -0.01 -0.13 0.00 -0.84 0.00 0.00 28.75 28.46 1dmo h GLU 104 CO 0.15 0.03 -0.18 1.25 -1.40 0.00 0.00 179.01 178.86 1dmo h LEU 105 N 0.05 -0.67 -1.23 1.33 6.46 -0.85 1.51 115.31 121.91 1dmo h LEU 105 Ca 0.23 0.21 0.25 0.00 -0.12 0.00 0.00 57.88 58.46 1dmo h LEU 105 Cb 0.35 0.44 -0.10 0.00 -0.73 0.00 0.00 40.66 40.62 1dmo h LEU 105 CO -0.44 -0.24 0.64 -0.09 -0.62 0.00 0.00 178.44 177.70 1dmo h ARG 106 N -0.00 0.46 -0.14 1.25 2.43 0.71 1.22 114.38 120.32 1dmo h ARG 106 Ca 0.34 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.34 1dmo h ARG 106 Cb 0.52 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1dmo h ARG 106 CO -0.73 0.31 -0.50 1.25 -1.51 0.00 0.00 179.97 178.79 1dmo h HIS 107 N 0.48 0.46 -0.18 2.20 2.76 0.23 -0.37 115.15 120.73 1dmo h HIS 107 Ca 0.61 -0.15 -0.04 0.00 -2.20 0.00 0.00 60.37 58.58 1dmo h HIS 107 Cb 1.37 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 30.23 1dmo h HIS 107 CO -0.00 0.80 -0.08 0.28 -1.30 0.00 0.00 177.93 177.63 1dmo h VAL 108 N 0.30 1.16 0.02 5.26 2.07 0.36 -0.67 116.25 124.75 1dmo h VAL 108 Ca 0.01 -0.69 -0.26 0.00 0.82 0.00 0.00 66.70 66.59 1dmo h VAL 108 Cb 0.99 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 1dmo h VAL 108 CO 0.09 0.22 -1.37 0.24 0.02 0.00 0.00 177.57 176.77 1dmo h MET 109 N 0.27 0.03 -0.67 1.57 2.07 -0.87 -2.61 114.93 114.72 1dmo h MET 109 Ca 0.06 -0.06 -0.08 0.00 -2.07 0.00 0.00 59.70 57.55 1dmo h MET 109 Cb 0.31 0.02 -0.03 0.00 -1.87 0.00 0.00 31.60 30.04 1dmo h MET 109 CO 0.02 0.81 0.12 1.15 1.07 0.00 0.00 176.91 180.07 1dmo h THR 110 N 0.01 1.26 -0.01 2.22 2.02 -0.49 0.12 112.91 118.05 1dmo h THR 110 Ca -0.16 -1.03 -0.01 0.00 0.77 0.00 0.00 66.41 65.99 1dmo h THR 110 Cb 1.90 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 1dmo h THR 110 CO 0.11 0.39 -0.04 -1.13 0.37 0.00 0.00 175.52 175.22 1dmo h ASN 111 N 1.03 0.04 0.02 4.18 -1.24 -1.22 -3.35 115.58 115.04 1dmo h ASN 111 Ca 0.20 -0.69 -0.00 0.00 0.71 0.00 0.00 56.30 56.52 1dmo h ASN 111 Cb 0.43 -0.01 -0.00 0.00 0.73 0.00 0.00 38.32 39.47 1dmo h ASN 111 CO 0.01 0.73 -0.02 0.25 -1.29 0.00 0.00 177.43 177.11 1dmo h LEU 112 N -0.64 -0.04 0.66 0.34 5.85 -1.41 -3.45 115.31 116.61 1dmo h LEU 112 Ca -0.00 0.00 -0.39 0.00 0.84 0.00 0.00 57.88 58.33 1dmo h LEU 112 Cb 0.73 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 1dmo h LEU 112 CO 0.01 -0.02 -0.58 0.61 -0.34 0.00 0.00 178.44 178.11 1dmo n GLY 113 N -1.02 -0.50 0.47 3.75 0.00 0.40 -4.78 105.19 103.51 1dmo n GLY 113 Ca -0.00 0.11 0.29 0.00 0.00 0.00 0.00 46.02 46.42 1dmo n GLY 113 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1dmo h GLU 114 N -1.18 0.19 0.00 1.61 4.81 -1.88 -3.36 114.58 114.77 1dmo h GLU 114 Ca -0.47 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1dmo h GLU 114 Cb 1.32 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1dmo h GLU 114 CO 0.55 0.13 0.00 1.17 -0.73 0.00 0.00 179.01 180.13 1dmo n LYS 115 N -4.44 0.00 -3.63 1.92 4.81 -1.26 -5.07 118.16 110.48 1dmo n LYS 115 Ca 0.27 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.34 1dmo n LYS 115 Cb 1.09 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 36.07 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 5.56 0.75 3.14 2.01 -1.26 -5.04 118.68 123.83 1dmo s LEU 116 Ca 0.00 -3.50 -0.15 0.00 0.01 0.00 0.00 54.13 50.49 1dmo s LEU 116 Cb 0.00 -1.92 -0.00 0.00 0.01 0.00 0.00 46.19 44.28 1dmo s LEU 116 CO 0.00 -0.24 0.78 0.41 1.01 0.00 0.00 176.35 178.31 1dmo n THR 117 N 2.65 2.12 -0.35 5.49 -1.04 -1.26 -4.43 114.28 117.46 1dmo n THR 117 Ca 0.18 -0.35 0.37 0.00 -2.04 0.00 0.00 64.05 62.21 1dmo n THR 117 Cb 0.38 -0.94 0.70 0.00 -1.82 0.00 0.00 70.33 68.65 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 -0.46 0.00 0.69 8.00 3.32 -1.96 0.11 116.42 126.11 1dmo h ASP 118 Ca -0.46 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.55 1dmo h ASP 118 Cb 1.33 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.89 1dmo h ASP 118 CO 0.44 0.00 -0.33 -0.33 -1.72 0.00 0.00 179.24 177.30 1dmo h GLU 119 N 0.00 -0.89 -0.72 3.56 5.08 -2.00 -0.43 114.58 119.18 1dmo h GLU 119 Ca 0.60 0.06 0.09 0.00 -1.00 0.00 0.00 59.36 59.11 1dmo h GLU 119 Cb 2.68 0.20 -0.05 0.00 0.50 0.00 0.00 28.75 32.09 1dmo h GLU 119 CO -0.01 -0.59 0.47 0.93 -1.00 0.00 0.00 179.01 178.81 1dmo h GLU 120 N -1.12 0.63 -0.73 2.33 4.39 -1.15 -0.85 114.58 118.08 1dmo h GLU 120 Ca -0.09 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.52 1dmo h GLU 120 Cb 0.71 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.19 1dmo h GLU 120 CO 0.16 0.42 0.28 0.28 -1.16 0.00 0.00 179.01 178.98 1dmo h VAL 121 N 0.65 1.25 0.19 3.13 2.07 -1.01 -2.30 116.25 120.23 1dmo h VAL 121 Ca 0.33 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1dmo h VAL 121 Cb 0.42 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1dmo h VAL 121 CO -0.11 0.33 -0.09 0.44 0.02 0.00 0.00 177.57 178.15 1dmo h ASP 122 N 1.06 -0.21 -0.85 0.57 3.32 0.34 0.31 116.42 120.96 1dmo h ASP 122 Ca 0.24 -0.15 0.24 0.00 0.02 0.00 0.00 57.03 57.38 1dmo h ASP 122 Cb 0.23 0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 1dmo h ASP 122 CO -0.02 0.03 0.61 -0.08 -1.72 0.00 0.00 179.24 178.06 1dmo h GLU 123 N -0.45 0.02 0.00 3.56 4.22 -1.28 -1.54 114.58 119.11 1dmo h GLU 123 Ca -0.03 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.41 1dmo h GLU 123 Cb 0.35 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1dmo h GLU 123 CO 0.04 0.02 -0.21 0.52 -2.18 0.00 0.00 179.01 177.20 1dmo h MET 124 N 0.02 0.00 0.00 1.92 2.86 -0.88 -3.32 114.93 115.53 1dmo h MET 124 Ca 0.40 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.04 1dmo h MET 124 Cb 1.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.24 1dmo h MET 124 CO -0.02 0.00 0.52 0.82 1.06 0.00 0.00 176.91 179.29 1dmo h ILE 125 N -0.93 0.00 -0.06 -1.22 2.04 -0.10 0.67 117.51 117.91 1dmo h ILE 125 Ca 0.00 0.00 -0.25 0.00 1.00 0.00 0.00 64.86 65.61 1dmo h ILE 125 Cb 0.21 0.18 0.02 0.00 -0.74 0.00 0.00 36.82 36.48 1dmo h ILE 125 CO 0.00 0.00 -0.94 -0.09 0.00 0.00 0.00 178.15 177.12 1dmo h ARG 126 N 0.00 0.73 0.00 2.37 2.43 -1.39 -3.34 114.38 115.18 1dmo h ARG 126 Ca 0.00 -0.71 0.00 0.00 -0.81 0.00 0.00 59.98 58.46 1dmo h ARG 126 Cb 1.03 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 1dmo h ARG 126 CO 0.00 1.29 -0.02 0.39 -1.51 0.00 0.00 179.97 180.12 1dmo n GLU 127 N -3.88 1.27 0.00 0.20 -0.58 0.20 -4.87 120.64 112.99 1dmo n GLU 127 Ca -0.10 -2.49 0.00 0.00 -0.42 0.00 0.00 57.16 54.16 1dmo n GLU 127 Cb 0.83 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 30.26 1dmo n GLU 127 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1dmo n ALA 128 N -1.36 -0.00 -1.83 0.62 0.00 0.50 -4.72 120.51 113.73 1dmo n ALA 128 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.55 1dmo n ALA 128 Cb 0.63 0.18 -0.04 0.00 0.00 0.00 0.00 19.45 20.22 1dmo n ALA 128 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1dmo n ASN 129 N -0.88 -0.63 -4.29 0.00 5.15 -1.26 -5.02 115.26 108.34 1dmo n ASN 129 Ca 0.00 -1.25 -0.33 0.00 -0.60 0.00 0.00 54.58 52.40 1dmo n ASN 129 Cb 0.00 0.19 0.16 0.00 -0.53 0.00 0.00 39.78 39.60 1dmo n ASN 129 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1dmo n ILE 130 N -0.02 0.00 0.00 -1.44 2.08 -1.26 -4.67 119.36 114.05 1dmo n ILE 130 Ca -0.17 -0.27 0.00 0.00 0.56 0.00 0.00 62.75 62.87 1dmo n ILE 130 Cb 0.53 -0.59 0.00 0.00 -0.75 0.00 0.00 39.64 38.84 1dmo n ILE 130 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1dmo n ASP 131 N -1.41 0.00 0.00 4.38 5.75 -1.26 -5.04 116.55 118.97 1dmo n ASP 131 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.80 1dmo n ASP 131 Cb 0.61 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 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 0.18 1.61 0.07 6.12 0.00 -1.26 -4.94 105.19 106.98 1dmo n GLY 132 Ca 0.00 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 0.37 0.00 1.61 9.92 -1.26 -4.84 116.55 122.35 1dmo n ASP 133 Ca 0.00 0.59 0.00 0.00 -0.53 0.00 0.00 54.79 54.85 1dmo n ASP 133 Cb 0.00 -0.67 0.00 0.00 -0.64 0.00 0.00 41.12 39.81 1dmo n ASP 133 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1dmo n GLY 134 N -0.01 0.83 4.00 0.44 0.00 -1.26 -5.04 105.19 104.14 1dmo n GLY 134 Ca 0.03 -0.61 -0.20 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.20 2.43 -0.08 1.61 -1.52 -1.26 -2.59 119.66 116.04 1dmo s GLN 135 Ca 0.00 -1.14 -0.03 0.00 -1.95 0.00 0.00 55.36 52.23 1dmo s GLN 135 Cb 0.00 -2.57 0.05 0.00 -0.22 0.00 0.00 33.01 30.26 1dmo s GLN 135 CO 0.00 -0.74 0.17 0.08 -0.25 0.00 0.00 175.29 174.55 1dmo s VAL 136 N -2.69 -0.18 -1.13 1.09 1.01 0.65 -4.20 120.40 114.95 1dmo s VAL 136 Ca 0.59 0.26 -0.23 0.00 0.00 0.00 0.00 61.98 62.61 1dmo s VAL 136 Cb -0.08 -0.30 -0.11 0.00 0.00 0.00 0.00 36.38 35.89 1dmo s VAL 136 CO 0.38 0.11 1.94 0.59 0.00 0.00 0.00 175.10 178.12 1dmo n ASN 137 N 4.81 2.89 -0.64 3.32 3.02 -1.26 -0.77 115.26 126.63 1dmo n ASN 137 Ca -0.15 -2.68 0.50 0.00 -0.03 0.00 0.00 54.58 52.22 1dmo n ASN 137 Cb 0.51 -1.67 0.81 0.00 -0.61 0.00 0.00 39.78 38.82 1dmo n ASN 137 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 1dmo h TYR 138 N 9.64 0.04 0.78 3.10 -0.00 -1.90 0.33 116.97 128.97 1dmo h TYR 138 Ca 0.23 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.92 1dmo h TYR 138 Cb 0.91 -0.01 0.01 0.00 -0.00 0.00 0.00 36.73 37.64 1dmo h TYR 138 CO 1.20 -0.02 -0.38 0.93 -0.00 0.00 0.00 178.16 179.89 1dmo h GLU 139 N 0.00 -1.02 -0.30 0.10 5.08 -1.85 0.86 114.58 117.46 1dmo h GLU 139 Ca 0.88 0.07 0.04 0.00 -1.00 0.00 0.00 59.36 59.35 1dmo h GLU 139 Cb 3.49 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 32.96 1dmo h GLU 139 CO -0.04 -0.68 0.20 0.93 -1.00 0.00 0.00 179.01 178.42 1dmo h GLU 140 N -1.06 0.22 -0.06 2.33 5.08 -0.86 0.26 114.58 120.48 1dmo h GLU 140 Ca -0.11 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 1dmo h GLU 140 Cb 0.81 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1dmo h GLU 140 CO 0.18 0.14 -0.31 0.35 -1.00 0.00 0.00 179.01 178.37 1dmo h PHE 141 N 0.22 0.13 -0.03 4.33 3.57 -0.18 0.18 116.94 125.17 1dmo h PHE 141 Ca 0.13 -0.03 -0.25 0.00 3.53 0.00 0.00 57.97 61.35 1dmo h PHE 141 Cb 0.23 -0.03 0.02 0.00 2.79 0.00 0.00 35.95 38.96 1dmo h PHE 141 CO -0.00 0.42 -0.96 0.28 -2.23 0.00 0.00 178.31 175.81 1dmo h VAL 142 N 0.11 1.29 0.00 1.41 2.07 0.42 -1.57 116.25 119.97 1dmo h VAL 142 Ca 0.01 -2.18 -0.09 0.00 0.82 0.00 0.00 66.70 65.26 1dmo h VAL 142 Cb 0.60 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 1dmo h VAL 142 CO 0.04 0.68 -0.44 -0.61 0.02 0.00 0.00 177.57 177.26 1dmo h GLN 143 N 0.38 0.00 -0.00 1.57 4.15 -1.00 -2.90 115.11 117.31 1dmo h GLN 143 Ca -0.11 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.31 1dmo h GLN 143 Cb 1.62 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.31 1dmo h GLN 143 CO 0.19 0.44 -0.44 -0.12 -1.93 0.00 0.00 178.83 176.97 1dmo n MET 144 N -3.40 0.06 0.05 1.69 1.56 0.60 -3.68 117.12 114.00 1dmo n MET 144 Ca 0.01 -0.03 0.04 0.00 -0.27 0.00 0.00 57.70 57.44 1dmo n MET 144 Cb 0.61 -1.50 -0.06 0.00 2.15 0.00 0.00 33.22 34.42 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 -1.44 0.62 -2.68 2.12 2.81 -0.60 -4.28 117.12 113.67 1dmo n MET 145 Ca 0.06 0.18 -0.37 0.00 -1.81 0.00 0.00 57.70 55.76 1dmo n MET 145 Cb 0.34 -1.81 0.01 0.00 -0.71 0.00 0.00 33.22 31.04 1dmo n MET 145 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1dmo n THR 146 N -2.81 5.24 -0.38 2.03 -1.04 -1.12 -4.31 114.28 111.89 1dmo n THR 146 Ca -0.07 -5.81 0.00 0.00 -2.04 0.00 0.00 64.05 56.13 1dmo n THR 146 Cb 0.74 -1.50 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 1dmo n THR 146 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1dmo n ALA 147 N -0.13 0.00 1.58 2.41 0.00 -1.26 -5.00 120.51 118.11 1dmo n ALA 147 Ca 0.43 0.00 0.13 0.00 0.00 0.00 0.00 53.44 54.00 1dmo n ALA 147 Cb 0.30 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.50 1dmo n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13