#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 -1.05 0.00 9.92 -1.26 -5.11 116.55 119.05 1dmo n ASP 2 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 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 0.00 1.95 0.00 -1.24 10.64 -1.26 -5.04 117.38 122.44 1dmo n GLN 3 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1dmo n GLN 3 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1dmo n GLN 3 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1dmo n LEU 4 N 0.00 0.00 -4.95 2.61 4.32 -1.26 -4.98 117.00 112.74 1dmo n LEU 4 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.76 1dmo n LEU 4 Cb 0.00 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 41.81 1dmo n LEU 4 CO 0.00 -1.41 0.29 0.28 -1.22 0.00 0.00 177.39 175.33 1dmo s THR 5 N -0.97 4.01 0.30 -5.08 -1.32 -1.26 -4.99 115.64 106.33 1dmo s THR 5 Ca 0.00 -0.48 0.01 0.00 -1.21 0.00 0.00 61.69 60.01 1dmo s THR 5 Cb 0.00 -3.48 0.14 0.00 -1.51 0.00 0.00 72.50 67.65 1dmo s THR 5 CO 0.00 -0.34 1.83 -0.33 -2.21 0.00 0.00 174.62 173.57 1dmo h GLU 6 N 0.39 0.67 0.24 7.08 4.39 -1.98 -2.51 114.58 122.86 1dmo h GLU 6 Ca -0.46 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.07 1dmo h GLU 6 Cb 1.25 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1dmo h GLU 6 CO 0.57 0.67 -0.12 0.93 -1.16 0.00 0.00 179.01 179.90 1dmo h GLU 7 N 0.64 -0.32 -0.92 2.33 3.07 -1.99 0.06 114.58 117.46 1dmo h GLU 7 Ca 0.14 0.02 0.14 0.00 -0.50 0.00 0.00 59.36 59.16 1dmo h GLU 7 Cb 0.36 0.07 -0.07 0.00 -0.84 0.00 0.00 28.75 28.26 1dmo h GLU 7 CO 0.01 -0.13 0.59 1.96 -1.40 0.00 0.00 179.01 180.04 1dmo h GLN 8 N -0.44 0.74 0.00 2.33 1.08 -1.93 0.86 115.11 117.75 1dmo h GLN 8 Ca -0.03 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 1dmo h GLN 8 Cb 0.33 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.59 1dmo h GLN 8 CO 0.06 0.49 -0.10 0.82 -0.95 0.00 0.00 178.83 179.14 1dmo h ILE 9 N 0.76 0.29 0.13 2.54 2.04 -0.95 -1.68 117.51 120.63 1dmo h ILE 9 Ca 0.46 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1dmo h ILE 9 Cb 0.67 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 1dmo h ILE 9 CO -0.22 0.10 -0.06 0.00 0.00 0.00 0.00 178.15 177.97 1dmo h ALA 10 N 1.90 -0.17 0.00 1.87 0.00 0.27 -2.59 119.26 120.54 1dmo h ALA 10 Ca -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1dmo h ALA 10 Cb 0.54 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1dmo h ALA 10 CO 0.01 -0.23 -0.03 1.49 0.00 0.00 0.00 179.25 180.49 1dmo h GLU 11 N -0.90 0.00 0.83 0.00 4.81 -1.26 -2.54 114.58 115.53 1dmo h GLU 11 Ca -0.02 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 1dmo h GLU 11 Cb 0.53 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.91 1dmo h GLU 11 CO 0.03 0.03 -0.40 0.74 -0.73 0.00 0.00 179.01 178.68 1dmo h PHE 12 N 0.00 -1.03 -0.89 0.92 -1.00 -1.28 -2.72 116.94 110.93 1dmo h PHE 12 Ca -0.00 -0.02 0.18 0.00 2.81 0.00 0.00 57.97 60.93 1dmo h PHE 12 Cb 0.07 0.34 -0.11 0.00 3.61 0.00 0.00 35.95 39.87 1dmo h PHE 12 CO 0.00 -0.63 0.46 -0.22 -1.61 0.00 0.00 178.31 176.30 1dmo h LYS 13 N -1.25 0.56 -0.55 1.51 3.64 -1.08 0.18 116.57 119.58 1dmo h LYS 13 Ca -0.11 -0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.34 1dmo h LYS 13 Cb 0.86 -0.13 -0.11 0.00 -0.41 0.00 0.00 32.23 32.45 1dmo h LYS 13 CO 0.19 0.37 -0.16 1.49 -2.27 0.00 0.00 179.45 179.07 1dmo h GLU 14 N 0.58 -0.02 -0.29 1.90 4.57 -1.25 0.92 114.58 120.98 1dmo h GLU 14 Ca 0.52 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.66 1dmo h GLU 14 Cb 0.84 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.42 1dmo h GLU 14 CO -0.42 -0.02 0.03 0.00 -1.18 0.00 0.00 179.01 177.43 1dmo h ALA 15 N 1.49 0.39 -0.06 2.92 0.00 -0.46 -1.74 119.26 121.80 1dmo h ALA 15 Ca 0.26 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1dmo h ALA 15 Cb 0.43 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1dmo h ALA 15 CO -0.58 0.10 0.09 0.35 0.00 0.00 0.00 179.25 179.21 1dmo h PHE 16 N 0.31 0.00 0.00 0.00 3.57 0.15 0.61 116.94 121.58 1dmo h PHE 16 Ca 0.09 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 1dmo h PHE 16 Cb 0.37 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 1dmo h PHE 16 CO 0.03 0.00 -0.97 1.03 -2.23 0.00 0.00 178.31 176.17 1dmo h SER 17 N 0.00 0.00 0.49 0.41 0.87 0.15 -3.21 113.55 112.26 1dmo h SER 17 Ca 0.03 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.42 1dmo h SER 17 Cb 0.21 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1dmo h SER 17 CO -0.00 0.30 -0.76 -0.07 -0.53 0.00 0.00 176.83 175.77 1dmo h LEU 18 N 0.00 0.26 -3.50 2.23 3.38 -0.04 -3.09 115.31 114.55 1dmo h LEU 18 Ca -0.06 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1dmo h LEU 18 Cb 1.29 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1dmo h LEU 18 CO 0.03 0.92 0.00 0.49 0.09 0.00 0.00 178.44 179.97 1dmo n PHE 19 N -3.75 2.01 -2.57 1.13 3.72 -0.98 -4.91 117.46 112.11 1dmo n PHE 19 Ca -0.03 -0.71 -0.43 0.00 -0.05 0.00 0.00 57.45 56.23 1dmo n PHE 19 Cb 0.72 -0.48 -0.02 0.00 -0.94 0.00 0.00 39.48 38.77 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 -0.79 6.72 -0.01 4.37 2.15 -1.17 -4.74 116.67 123.21 1dmo s ASP 20 Ca 0.54 0.81 0.01 0.00 0.43 0.00 0.00 52.55 54.34 1dmo s ASP 20 Cb 0.40 -2.55 0.03 0.00 -0.30 0.00 0.00 42.92 40.51 1dmo s ASP 20 CO 0.17 -1.11 0.59 0.29 -0.17 0.00 0.00 175.17 174.94 1dmo n LYS 21 N 7.44 1.13 -1.25 4.34 4.76 -1.26 -4.79 118.16 128.53 1dmo n LYS 21 Ca 0.13 -0.11 -0.11 0.00 -2.87 0.00 0.00 58.31 55.35 1dmo n LYS 21 Cb 0.48 -1.48 -0.05 0.00 -1.84 0.00 0.00 35.03 32.14 1dmo n LYS 21 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1dmo n ASP 22 N -0.02 -3.98 -0.01 4.39 8.00 -1.26 -4.80 116.55 118.87 1dmo n ASP 22 Ca 0.01 0.28 -0.10 0.00 0.71 0.00 0.00 54.79 55.68 1dmo n ASP 22 Cb 0.26 -3.35 -0.08 0.00 -0.02 0.00 0.00 41.12 37.93 1dmo n ASP 22 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1dmo h GLY 23 N 0.00 -0.10 -1.05 0.44 0.00 -1.88 -3.44 103.07 97.05 1dmo h GLY 23 Ca -0.23 0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1dmo h GLY 23 CO 0.33 -0.04 -0.07 1.22 0.00 0.00 0.00 176.54 177.99 1dmo n ASP 24 N -4.79 -0.03 -1.32 0.19 8.00 -1.26 -4.99 116.55 112.34 1dmo n ASP 24 Ca -0.07 -1.14 -0.06 0.00 0.71 0.00 0.00 54.79 54.22 1dmo n ASP 24 Cb 0.29 -0.01 0.02 0.00 -0.02 0.00 0.00 41.12 41.40 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 0.00 0.56 3.25 0.44 0.00 -1.26 -5.05 105.19 103.13 1dmo n GLY 25 Ca -0.01 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.08 0.09 0.02 2.61 -4.23 -1.26 -4.32 115.64 105.47 1dmo s THR 26 Ca 0.15 -0.77 0.02 0.00 -1.18 0.00 0.00 61.69 59.91 1dmo s THR 26 Cb -0.07 -1.05 -0.04 0.00 1.34 0.00 0.00 72.50 72.69 1dmo s THR 26 CO 0.19 -0.42 0.02 0.27 -0.54 0.00 0.00 174.62 174.14 1dmo s ILE 27 N -2.99 4.26 0.23 2.99 -4.36 -0.10 -4.41 121.20 116.82 1dmo s ILE 27 Ca -0.02 -0.66 -0.22 0.00 -0.26 0.00 0.00 60.65 59.49 1dmo s ILE 27 Cb 0.01 -2.95 -0.08 0.00 1.25 0.00 0.00 42.46 40.68 1dmo s ILE 27 CO -0.06 0.30 0.78 0.42 0.24 0.00 0.00 174.94 176.62 1dmo s THR 28 N -1.18 4.45 0.51 8.37 -4.23 -1.26 -0.01 115.64 122.29 1dmo s THR 28 Ca 0.22 1.50 0.42 0.00 -1.18 0.00 0.00 61.69 62.65 1dmo s THR 28 Cb -0.12 -3.96 0.64 0.00 1.34 0.00 0.00 72.50 70.40 1dmo s THR 28 CO 0.14 0.27 1.58 0.71 -0.54 0.00 0.00 174.62 176.78 1dmo h THR 29 N 2.86 0.02 -0.42 3.99 1.35 -1.89 0.88 112.91 119.71 1dmo h THR 29 Ca -0.47 -0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.32 1dmo h THR 29 Cb 1.20 0.02 -0.02 0.00 -1.73 0.00 0.00 68.15 67.62 1dmo h THR 29 CO 0.65 0.00 0.02 0.07 -0.25 0.00 0.00 175.52 176.01 1dmo h LYS 30 N 0.01 0.73 0.00 4.72 2.10 -1.92 -2.43 116.57 119.78 1dmo h LYS 30 Ca 0.90 -0.23 0.00 0.00 -2.00 0.00 0.00 60.65 59.33 1dmo h LYS 30 Cb 3.33 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 34.59 1dmo h LYS 30 CO -0.20 0.80 0.00 0.39 -2.00 0.00 0.00 179.45 178.44 1dmo n GLU 31 N -4.44 0.01 0.03 0.07 1.02 0.30 -4.03 120.64 113.60 1dmo n GLU 31 Ca -0.00 0.04 -0.03 0.00 -0.02 0.00 0.00 57.16 57.15 1dmo n GLU 31 Cb 0.28 -1.51 -0.02 0.00 -0.02 0.00 0.00 31.44 30.18 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 -0.24 -0.95 -4.62 5.85 -0.73 0.11 115.31 114.74 1dmo h LEU 32 Ca 0.00 0.02 0.29 0.00 0.84 0.00 0.00 57.88 59.03 1dmo h LEU 32 Cb 0.47 0.08 -0.16 0.00 0.37 0.00 0.00 40.66 41.43 1dmo h LEU 32 CO 0.00 -0.10 0.34 1.23 -0.34 0.00 0.00 178.44 179.57 1dmo h GLY 33 N -0.14 1.67 1.21 3.75 0.00 -1.70 1.11 103.07 108.96 1dmo h GLY 33 Ca -0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 1dmo h GLY 33 CO -0.03 -0.49 0.34 -0.84 0.00 0.00 0.00 176.54 175.52 1dmo h THR 34 N 0.18 1.23 -0.12 4.70 2.02 -1.58 -2.02 112.91 117.32 1dmo h THR 34 Ca 0.65 -0.66 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1dmo h THR 34 Cb 1.45 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1dmo h THR 34 CO -0.70 0.28 0.01 0.58 0.37 0.00 0.00 175.52 176.06 1dmo h VAL 35 N 1.02 1.23 -0.96 3.16 2.07 0.38 -2.43 116.25 120.72 1dmo h VAL 35 Ca 0.25 -0.72 0.12 0.00 0.82 0.00 0.00 66.70 67.17 1dmo h VAL 35 Cb 0.12 1.48 -0.08 0.00 -1.52 0.00 0.00 31.29 31.29 1dmo h VAL 35 CO -0.03 0.21 0.59 0.24 0.02 0.00 0.00 177.57 178.60 1dmo h MET 36 N -0.04 0.90 -0.51 1.57 2.86 -0.89 0.87 114.93 119.69 1dmo h MET 36 Ca 0.03 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 1dmo h MET 36 Cb 0.31 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1dmo h MET 36 CO 0.00 0.60 0.17 -0.09 1.06 0.00 0.00 176.91 178.65 1dmo h ARG 37 N 0.93 0.75 -0.38 1.72 2.43 -1.13 -2.53 114.38 116.17 1dmo h ARG 37 Ca 0.48 -0.12 -0.09 0.00 -0.81 0.00 0.00 59.98 59.43 1dmo h ARG 37 Cb 0.49 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1dmo h ARG 37 CO -0.27 0.64 -0.13 1.03 -1.51 0.00 0.00 179.97 179.73 1dmo h SER 38 N 0.73 0.78 -0.09 -3.80 0.87 -0.39 -3.17 113.55 108.48 1dmo h SER 38 Ca 0.17 -0.38 0.04 0.00 -1.23 0.00 0.00 61.79 60.39 1dmo h SER 38 Cb 0.20 -0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 61.89 1dmo h SER 38 CO -0.01 0.98 -0.30 -0.07 -0.53 0.00 0.00 176.83 176.90 1dmo h LEU 39 N 0.57 -0.92 0.00 2.23 4.07 -0.80 -3.45 115.31 117.01 1dmo h LEU 39 Ca 0.09 0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.18 1dmo h LEU 39 Cb 0.66 0.39 0.00 0.00 1.08 0.00 0.00 40.66 42.79 1dmo h LEU 39 CO 0.05 -0.35 0.00 0.61 -1.08 0.00 0.00 178.44 177.67 1dmo n GLY 40 N -1.40 0.00 0.00 0.83 0.00 -1.07 -5.09 105.19 98.46 1dmo n GLY 40 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 -2.72 1.61 3.00 -1.11 -4.89 117.38 113.27 1dmo n GLN 41 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.92 1dmo n GLN 41 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 30.24 30.31 1dmo n GLN 41 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1dmo n ASN 42 N -0.54 -2.26 -4.74 1.08 4.05 -1.26 -4.38 115.26 107.21 1dmo n ASN 42 Ca 0.00 -2.83 -0.35 0.00 0.45 0.00 0.00 54.58 51.85 1dmo n ASN 42 Cb 0.00 1.49 0.06 0.00 1.23 0.00 0.00 39.78 42.56 1dmo n ASN 42 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1dmo s PRO 43 N 0.43 2.55 0.29 1.20 0.04 -1.26 -5.02 135.00 133.22 1dmo s PRO 43 Ca 0.28 1.73 -0.02 0.00 0.04 0.00 0.00 61.00 63.03 1dmo s PRO 43 Cb 0.24 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.85 1dmo s PRO 43 CO -0.17 -1.52 0.51 0.95 0.04 0.00 0.00 177.00 176.82 1dmo s THR 44 N -1.89 5.09 0.26 1.26 -4.23 -1.26 -4.91 115.64 109.96 1dmo s THR 44 Ca 0.74 -0.21 0.28 0.00 -1.18 0.00 0.00 61.69 61.32 1dmo s THR 44 Cb -0.28 -3.78 0.28 0.00 1.34 0.00 0.00 72.50 70.06 1dmo s THR 44 CO 0.40 -0.37 1.83 -0.33 -0.54 0.00 0.00 174.62 175.62 1dmo h GLU 45 N 1.45 0.00 0.00 3.99 5.08 -1.98 0.24 114.58 123.37 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 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 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 -1.84 0.00 -0.22 3.43 0.00 -1.26 -2.22 120.51 118.41 1dmo n ALA 46 Ca -0.02 -0.01 0.02 0.00 0.00 0.00 0.00 53.44 53.44 1dmo n ALA 46 Cb 0.17 0.00 0.13 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 0.27 -0.39 0.00 4.39 -1.93 0.33 114.58 117.25 1dmo h GLU 47 Ca 0.00 -0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.77 1dmo h GLU 47 Cb 0.00 -0.06 -0.09 0.00 -0.10 0.00 0.00 28.75 28.50 1dmo h GLU 47 CO 0.00 0.18 -0.20 1.25 -1.16 0.00 0.00 179.01 179.08 1dmo h LEU 48 N 0.27 -0.68 -1.78 1.33 5.85 -1.11 0.45 115.31 119.64 1dmo h LEU 48 Ca 0.35 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 59.21 1dmo h LEU 48 Cb 0.55 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1dmo h LEU 48 CO -0.44 -0.23 -0.01 -0.61 -0.34 0.00 0.00 178.44 176.81 1dmo h GLN 49 N -0.13 0.11 -0.57 1.25 4.15 -0.12 -1.53 115.11 118.27 1dmo h GLN 49 Ca 0.19 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.62 1dmo h GLN 49 Cb 0.43 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.07 1dmo h GLN 49 CO -0.47 0.14 0.38 0.22 -1.93 0.00 0.00 178.83 177.16 1dmo h ASP 50 N 0.11 0.61 0.65 -0.69 1.82 0.34 -1.73 116.42 117.53 1dmo h ASP 50 Ca 0.03 -0.01 -0.25 0.00 -0.39 0.00 0.00 57.03 56.40 1dmo h ASP 50 Cb 0.11 -0.15 -0.00 0.00 0.68 0.00 0.00 39.33 39.97 1dmo h ASP 50 CO 0.00 0.43 -1.15 0.24 -1.61 0.00 0.00 179.24 177.16 1dmo h MET 51 N 0.72 0.24 0.79 0.28 2.86 -0.69 -3.30 114.93 115.82 1dmo h MET 51 Ca 0.22 -0.38 -0.04 0.00 -2.06 0.00 0.00 59.70 57.44 1dmo h MET 51 Cb -0.00 0.14 0.01 0.00 0.06 0.00 0.00 31.60 31.80 1dmo h MET 51 CO -0.05 1.16 -0.38 0.82 1.06 0.00 0.00 176.91 179.51 1dmo h ILE 52 N 0.08 0.22 -0.07 -1.22 5.03 -0.93 -1.68 117.51 118.94 1dmo h ILE 52 Ca -0.10 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.66 1dmo h ILE 52 Cb 1.86 0.22 -0.00 0.00 -3.03 0.00 0.00 36.82 35.87 1dmo h ILE 52 CO 0.18 0.00 0.56 -1.13 -0.68 0.00 0.00 178.15 177.09 1dmo h ASN 53 N -1.06 0.00 0.03 1.72 -0.00 -1.47 0.71 115.58 115.51 1dmo h ASN 53 Ca -0.11 0.00 -0.15 0.00 -0.00 0.00 0.00 56.30 56.04 1dmo h ASN 53 Cb 0.81 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.12 1dmo h ASN 53 CO 0.18 0.00 -0.79 -0.08 -0.00 0.00 0.00 177.43 176.73 1dmo h GLU 54 N 0.00 0.06 -0.00 6.67 4.81 -1.41 -3.35 114.58 121.35 1dmo h GLU 54 Ca 0.04 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1dmo h GLU 54 Cb 1.17 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1dmo h GLU 54 CO -0.00 1.05 -0.16 1.33 -0.73 0.00 0.00 179.01 180.50 1dmo n VAL 55 N -4.39 0.00 -0.19 0.32 0.24 -0.20 -3.83 118.33 110.28 1dmo n VAL 55 Ca -0.22 -0.05 -0.12 0.00 -2.04 0.00 0.00 64.34 61.91 1dmo n VAL 55 Cb 0.65 -0.05 0.07 0.00 -1.47 0.00 0.00 33.84 33.05 1dmo n VAL 55 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1dmo n ASP 56 N -1.04 4.00 0.00 -1.34 -0.08 0.23 -3.52 116.55 114.81 1dmo n ASP 56 Ca 0.12 -2.79 0.00 0.00 -1.51 0.00 0.00 54.79 50.61 1dmo n ASP 56 Cb 0.30 -0.74 0.00 0.00 2.34 0.00 0.00 41.12 43.02 1dmo n ASP 56 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1dmo n ALA 57 N -0.10 0.36 -0.05 -1.67 0.00 -1.25 -4.85 120.51 112.94 1dmo n ALA 57 Ca 0.27 -0.07 -0.13 0.00 0.00 0.00 0.00 53.44 53.51 1dmo n ALA 57 Cb 0.93 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 20.24 1dmo n ALA 57 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1dmo n ASP 58 N 0.00 1.05 0.00 0.00 -0.08 -1.23 -4.93 116.55 111.36 1dmo n ASP 58 Ca 0.00 0.17 0.00 0.00 -1.51 0.00 0.00 54.79 53.45 1dmo n ASP 58 Cb 0.34 0.02 0.00 0.00 2.34 0.00 0.00 41.12 43.81 1dmo n ASP 58 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1dmo n GLY 59 N 1.81 -0.00 1.40 0.27 0.00 -1.26 -5.11 105.19 102.29 1dmo n GLY 59 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1dmo n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1dmo n ASN 60 N -1.35 0.00 0.00 1.61 4.13 -1.26 -5.08 115.26 113.31 1dmo n ASN 60 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1dmo n ASN 60 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1dmo n ASN 60 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1dmo n GLY 61 N 1.36 0.12 3.65 7.41 0.00 -1.26 -4.65 105.19 111.82 1dmo n GLY 61 Ca 0.00 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.84 1.96 -0.08 2.61 -4.23 -1.26 -4.04 115.64 109.76 1dmo s THR 62 Ca 0.00 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.52 1dmo s THR 62 Cb 0.00 -2.47 0.02 0.00 1.34 0.00 0.00 72.50 71.39 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 -2.94 0.94 0.72 2.99 1.01 0.99 -4.83 121.20 120.08 1dmo s ILE 63 Ca 0.66 -0.31 -0.07 0.00 0.00 0.00 0.00 60.65 60.93 1dmo s ILE 63 Cb -0.18 -0.93 0.07 0.00 0.01 0.00 0.00 42.46 41.43 1dmo s ILE 63 CO 0.58 0.33 1.04 -1.81 0.00 0.00 0.00 174.94 175.08 1dmo s ASP 64 N 1.18 4.70 0.20 3.58 1.11 -1.26 -0.92 116.67 125.26 1dmo s ASP 64 Ca -0.06 0.44 -0.10 0.00 0.18 0.00 0.00 52.55 53.02 1dmo s ASP 64 Cb -0.14 -1.05 0.25 0.00 1.07 0.00 0.00 42.92 43.05 1dmo s ASP 64 CO -0.02 -1.68 1.76 0.15 1.18 0.00 0.00 175.17 176.56 1dmo h PHE 65 N -0.68 0.43 0.10 4.23 3.57 -1.98 -1.56 116.94 121.06 1dmo h PHE 65 Ca -0.44 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.10 1dmo h PHE 65 Cb 1.31 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.92 1dmo h PHE 65 CO 0.25 0.14 -0.22 -1.35 -2.23 0.00 0.00 178.31 174.90 1dmo h PRO 66 N 0.44 -0.39 -0.95 6.41 0.10 -1.96 -1.66 132.00 133.99 1dmo h PRO 66 Ca 0.29 0.03 0.09 0.00 0.10 0.00 0.00 66.00 66.51 1dmo h PRO 66 Cb 0.32 0.09 -0.07 0.00 0.10 0.00 0.00 31.00 31.44 1dmo h PRO 66 CO -0.27 -0.26 0.61 0.93 0.10 0.00 0.00 178.00 179.11 1dmo h GLU 67 N -0.40 0.97 -0.05 1.05 4.39 -1.87 0.12 114.58 118.78 1dmo h GLU 67 Ca 0.03 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1dmo h GLU 67 Cb 0.43 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1dmo h GLU 67 CO -0.13 0.64 0.03 0.35 -1.16 0.00 0.00 179.01 178.74 1dmo h PHE 68 N 1.00 0.06 0.25 4.33 3.57 -0.40 -2.13 116.94 123.62 1dmo h PHE 68 Ca 0.43 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.92 1dmo h PHE 68 Cb 0.35 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1dmo h PHE 68 CO -0.00 0.04 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.93 1dmo h LEU 69 N 0.07 -0.28 -0.92 0.59 3.38 -0.06 -1.85 115.31 116.24 1dmo h LEU 69 Ca 0.02 -0.24 0.19 0.00 0.09 0.00 0.00 57.88 57.94 1dmo h LEU 69 Cb -0.00 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 40.71 1dmo h LEU 69 CO -0.00 0.13 0.49 0.74 0.09 0.00 0.00 178.44 179.89 1dmo h THR 70 N -0.75 0.62 -0.26 0.22 2.02 -1.17 0.21 112.91 113.81 1dmo h THR 70 Ca -0.03 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 1dmo h THR 70 Cb 0.50 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1dmo h THR 70 CO 0.06 0.11 0.05 0.24 0.37 0.00 0.00 175.52 176.35 1dmo h MET 71 N 0.58 0.42 -0.76 6.66 2.86 -1.32 -1.98 114.93 121.39 1dmo h MET 71 Ca 0.54 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 58.05 1dmo h MET 71 Cb 0.91 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.48 1dmo h MET 71 CO -0.43 0.53 0.38 0.52 1.06 0.00 0.00 176.91 178.97 1dmo h MET 72 N 0.24 1.07 -0.81 1.72 2.07 -0.15 -1.67 114.93 117.40 1dmo h MET 72 Ca 0.08 -0.14 -0.01 0.00 -2.07 0.00 0.00 59.70 57.56 1dmo h MET 72 Cb 0.30 -0.20 -0.04 0.00 -1.87 0.00 0.00 31.60 29.79 1dmo h MET 72 CO 0.00 0.81 0.45 0.00 1.07 0.00 0.00 176.91 179.25 1dmo h ALA 73 N 1.35 1.27 -0.14 6.32 0.00 -0.42 0.11 119.26 127.75 1dmo h ALA 73 Ca 0.27 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1dmo h ALA 73 Cb 0.08 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1dmo h ALA 73 CO -0.04 0.60 -0.36 -0.09 0.00 0.00 0.00 179.25 179.36 1dmo h ARG 74 N 1.13 0.29 -0.00 0.00 2.43 -0.62 -1.22 114.38 116.39 1dmo h ARG 74 Ca 0.29 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1dmo h ARG 74 Cb 0.01 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1dmo h ARG 74 CO -0.05 0.62 -0.01 -0.22 -1.51 0.00 0.00 179.97 178.80 1dmo h LYS 75 N 0.25 0.01 0.00 0.20 1.63 -0.40 -3.08 116.57 115.18 1dmo h LYS 75 Ca 0.03 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 1dmo h LYS 75 Cb 0.75 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.38 1dmo h LYS 75 CO 0.06 0.63 -0.06 1.98 -3.45 0.00 0.00 179.45 178.61 1dmo h MET 76 N -0.60 0.00 -4.66 1.90 4.05 -0.76 -3.47 114.93 111.39 1dmo h MET 76 Ca -0.00 0.00 -0.14 0.00 -0.28 0.00 0.00 59.70 59.28 1dmo h MET 76 Cb 0.63 0.00 0.11 0.00 -0.80 0.00 0.00 31.60 31.54 1dmo h MET 76 CO 0.00 0.06 -0.48 1.17 0.23 0.00 0.00 176.91 177.88 1dmo n LYS 77 N -3.82 -1.42 -2.83 0.39 4.81 -0.47 -4.48 118.16 110.34 1dmo n LYS 77 Ca -0.03 0.69 -0.02 0.00 -0.87 0.00 0.00 58.31 58.09 1dmo n LYS 77 Cb 0.15 -4.45 -0.01 0.00 0.02 0.00 0.00 35.03 30.74 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 -2.48 -5.36 0.00 3.14 2.03 -1.20 -4.64 116.55 108.04 1dmo n ASP 78 Ca -0.04 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.41 1dmo n ASP 78 Cb 0.57 -3.99 0.00 0.00 -0.72 0.00 0.00 41.12 36.98 1dmo n ASP 78 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1dmo n THR 79 N 1.43 0.00 0.00 5.18 -1.04 -1.26 -4.66 114.28 113.93 1dmo n THR 79 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1dmo n THR 79 Cb 0.30 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.81 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 1.11 0.00 0.00 8.00 8.00 -1.26 -4.77 116.55 127.62 1dmo n ASP 80 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1dmo n ASP 80 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 9.37 0.00 -0.36 -2.24 3.41 -1.26 -4.68 113.62 117.87 1dmo n SER 81 Ca 0.00 0.00 0.27 0.00 -0.26 0.00 0.00 58.87 58.88 1dmo n SER 81 Cb 0.00 0.00 0.54 0.00 -0.26 0.00 0.00 64.21 64.49 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 0.30 -0.67 4.33 4.11 -1.98 0.60 114.58 121.27 1dmo h GLU 82 Ca 0.00 -0.02 0.08 0.00 0.07 0.00 0.00 59.36 59.49 1dmo h GLU 82 Cb 0.00 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.12 1dmo h GLU 82 CO 0.00 0.20 0.34 0.93 0.07 0.00 0.00 179.01 180.55 1dmo h GLU 83 N 0.30 0.59 -0.77 1.06 5.08 -1.97 0.12 114.58 118.99 1dmo h GLU 83 Ca 0.67 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 59.02 1dmo h GLU 83 Cb 1.81 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.89 1dmo h GLU 83 CO -0.37 0.39 0.50 0.93 -1.00 0.00 0.00 179.01 179.47 1dmo h GLU 84 N 0.61 0.96 0.38 2.33 4.39 -0.18 -2.22 114.58 120.85 1dmo h GLU 84 Ca 0.32 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.94 1dmo h GLU 84 Cb 0.29 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1dmo h GLU 84 CO -0.23 0.64 -0.18 0.82 -1.16 0.00 0.00 179.01 178.89 1dmo h ILE 85 N 0.99 0.62 -0.99 3.13 2.04 -0.87 -0.76 117.51 121.68 1dmo h ILE 85 Ca 0.30 -0.29 0.32 0.00 1.00 0.00 0.00 64.86 66.19 1dmo h ILE 85 Cb -0.04 0.77 -0.15 0.00 -0.74 0.00 0.00 36.82 36.66 1dmo h ILE 85 CO -0.09 0.06 0.52 -0.09 0.00 0.00 0.00 178.15 178.55 1dmo h ARG 86 N -0.68 0.29 -0.18 2.37 2.43 -0.57 0.48 114.38 118.52 1dmo h ARG 86 Ca -0.05 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 58.95 1dmo h ARG 86 Cb 0.49 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1dmo h ARG 86 CO 0.09 0.19 -0.48 1.49 -1.51 0.00 0.00 179.97 179.75 1dmo h GLU 87 N 0.30 0.64 -1.32 0.20 4.81 -1.08 -2.67 114.58 115.45 1dmo h GLU 87 Ca 0.72 -0.45 0.39 0.00 -0.13 0.00 0.00 59.36 59.88 1dmo h GLU 87 Cb 1.63 0.07 -0.08 0.00 0.63 0.00 0.00 28.75 31.00 1dmo h GLU 87 CO -0.62 1.07 0.92 0.00 -0.73 0.00 0.00 179.01 179.64 1dmo h ALA 88 N 0.57 3.01 0.08 2.92 0.00 0.15 0.22 119.26 126.20 1dmo h ALA 88 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1dmo h ALA 88 Cb 1.09 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1dmo h ALA 88 CO 0.10 -1.45 -0.77 0.74 0.00 0.00 0.00 179.25 177.87 1dmo h PHE 89 N 0.09 0.31 0.00 0.00 0.04 -1.29 -3.25 116.94 112.84 1dmo h PHE 89 Ca 0.68 -0.22 0.00 0.00 2.80 0.00 0.00 57.97 61.23 1dmo h PHE 89 Cb 2.44 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 40.57 1dmo h PHE 89 CO -0.00 1.30 0.24 -2.13 -0.60 0.00 0.00 178.31 177.12 1dmo n ARG 90 N -4.25 0.08 -0.18 1.51 0.63 0.67 -0.48 116.66 114.65 1dmo n ARG 90 Ca -0.17 0.55 -0.07 0.00 -0.92 0.00 0.00 57.85 57.23 1dmo n ARG 90 Cb 0.73 -2.02 0.08 0.00 0.45 0.00 0.00 32.46 31.70 1dmo n ARG 90 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1dmo h VAL 91 N 0.00 1.26 -0.83 5.15 2.07 -1.35 -2.62 116.25 119.93 1dmo h VAL 91 Ca 0.00 -1.08 -0.39 0.00 0.82 0.00 0.00 66.70 66.06 1dmo h VAL 91 Cb 0.49 0.79 -0.23 0.00 -1.52 0.00 0.00 31.29 30.82 1dmo h VAL 91 CO 0.00 0.39 0.49 0.49 0.02 0.00 0.00 177.57 178.96 1dmo n PHE 92 N -4.20 2.59 -0.74 1.57 3.01 0.36 -4.50 117.46 115.57 1dmo n PHE 92 Ca 0.03 -1.52 -0.19 0.00 1.01 0.00 0.00 57.45 56.78 1dmo n PHE 92 Cb 0.32 -0.81 0.07 0.00 -0.01 0.00 0.00 39.48 39.06 1dmo n PHE 92 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1dmo n ASP 93 N -0.71 5.41 0.18 4.37 2.03 -0.99 -4.28 116.55 122.56 1dmo n ASP 93 Ca 0.49 -3.14 0.13 0.00 0.52 0.00 0.00 54.79 52.78 1dmo n ASP 93 Cb 1.47 -0.90 0.29 0.00 -0.72 0.00 0.00 41.12 41.27 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 1.20 0.00 0.00 -0.67 1.57 -1.84 -3.38 116.57 113.45 1dmo h LYS 94 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1dmo h LYS 94 Cb 1.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.72 1dmo h LYS 94 CO 0.85 0.00 0.00 -3.47 -0.57 0.00 0.00 179.45 176.26 1dmo n ASP 95 N -2.76 0.00 -0.02 0.86 2.03 -1.26 -4.88 116.55 110.53 1dmo n ASP 95 Ca 0.04 -1.00 -0.10 0.00 0.52 0.00 0.00 54.79 54.26 1dmo n ASP 95 Cb 0.47 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.73 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 0.00 -0.96 3.43 0.27 0.00 -1.26 -5.02 105.19 101.65 1dmo n GLY 96 Ca 0.00 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.08 -6.01 0.00 1.61 5.03 -1.26 -2.84 115.26 108.70 1dmo n ASN 97 Ca -0.18 -0.28 0.00 0.00 0.87 0.00 0.00 54.58 54.99 1dmo n ASN 97 Cb 1.05 -2.76 0.00 0.00 -1.02 0.00 0.00 39.78 37.05 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 -0.86 2.20 3.53 7.41 0.00 -1.26 -4.93 105.19 111.28 1dmo n GLY 98 Ca -0.11 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 1dmo n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dmo s TYR 99 N 0.00 3.22 0.68 1.61 2.02 -1.13 -4.34 117.35 119.41 1dmo s TYR 99 Ca 0.00 -0.16 -0.09 0.00 -0.37 0.00 0.00 57.07 56.45 1dmo s TYR 99 Cb 0.00 -2.57 0.02 0.00 -0.40 0.00 0.00 41.96 39.01 1dmo s TYR 99 CO 0.00 -0.41 1.03 0.96 -1.57 0.00 0.00 175.55 175.56 1dmo s ILE 100 N 1.85 3.30 0.18 2.71 -4.36 -0.55 -4.25 121.20 120.07 1dmo s ILE 100 Ca 0.08 0.20 -0.30 0.00 -0.26 0.00 0.00 60.65 60.38 1dmo s ILE 100 Cb -0.17 -3.38 -0.08 0.00 1.25 0.00 0.00 42.46 40.08 1dmo s ILE 100 CO 0.11 -0.46 1.08 -0.44 0.24 0.00 0.00 174.94 175.47 1dmo s SER 101 N -4.38 7.31 0.27 4.36 0.01 -1.26 0.12 113.70 120.13 1dmo s SER 101 Ca 0.57 2.06 0.18 0.00 1.31 0.00 0.00 55.95 60.07 1dmo s SER 101 Cb -0.11 -2.60 0.98 0.00 0.21 0.00 0.00 66.02 64.50 1dmo s SER 101 CO 0.49 -0.19 1.55 0.00 0.41 0.00 0.00 173.24 175.50 1dmo n ALA 102 N 2.34 1.04 0.13 1.44 0.00 -1.26 -2.06 120.51 122.14 1dmo n ALA 102 Ca 0.02 0.17 -0.06 0.00 0.00 0.00 0.00 53.44 53.57 1dmo n ALA 102 Cb 0.46 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 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 2.00 -0.63 -0.80 0.00 0.00 -1.94 -2.12 119.26 115.77 1dmo h ALA 103 Ca 0.00 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 54.97 1dmo h ALA 103 Cb 0.00 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.84 1dmo h ALA 103 CO 0.00 -0.60 0.37 0.93 0.00 0.00 0.00 179.25 179.95 1dmo h GLU 104 N -0.61 0.52 -0.70 0.00 3.07 -1.90 0.12 114.58 115.10 1dmo h GLU 104 Ca -0.04 -0.03 0.15 0.00 -0.50 0.00 0.00 59.36 58.94 1dmo h GLU 104 Cb 0.28 -0.12 -0.12 0.00 -0.84 0.00 0.00 28.75 27.95 1dmo h GLU 104 CO 0.06 0.35 -0.02 1.25 -1.40 0.00 0.00 179.01 179.24 1dmo h LEU 105 N 0.54 -0.37 -1.11 1.33 5.85 -1.41 0.77 115.31 120.91 1dmo h LEU 105 Ca 0.44 0.18 0.12 0.00 0.84 0.00 0.00 57.88 59.46 1dmo h LEU 105 Cb 0.63 0.33 -0.08 0.00 0.37 0.00 0.00 40.66 41.92 1dmo h LEU 105 CO -0.38 -0.17 0.61 -0.09 -0.34 0.00 0.00 178.44 178.08 1dmo h ARG 106 N 0.09 0.90 0.00 1.25 2.43 -0.04 0.23 114.38 119.24 1dmo h ARG 106 Ca 0.37 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.36 1dmo h ARG 106 Cb 0.62 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 1dmo h ARG 106 CO -0.63 0.59 -0.60 1.25 -1.51 0.00 0.00 179.97 179.08 1dmo h HIS 107 N 0.92 0.00 -0.16 2.20 2.76 0.51 -3.02 115.15 118.37 1dmo h HIS 107 Ca 0.46 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.52 1dmo h HIS 107 Cb 0.50 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 1dmo h HIS 107 CO -0.00 0.60 -0.40 0.28 -1.30 0.00 0.00 177.93 177.11 1dmo h VAL 108 N 0.00 1.30 0.00 5.26 2.07 0.30 -2.29 116.25 122.89 1dmo h VAL 108 Ca -0.01 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 65.99 1dmo h VAL 108 Cb 1.17 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1dmo h VAL 108 CO 0.08 0.46 0.00 0.24 0.02 0.00 0.00 177.57 178.37 1dmo h MET 109 N 0.29 0.00 0.01 1.57 2.07 -0.97 -1.65 114.93 116.26 1dmo h MET 109 Ca 0.03 0.00 -0.28 0.00 -2.07 0.00 0.00 59.70 57.38 1dmo h MET 109 Cb 0.83 0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 30.52 1dmo h MET 109 CO 0.07 0.00 -1.60 1.15 1.07 0.00 0.00 176.91 177.60 1dmo h THR 110 N 0.00 0.99 0.00 2.22 2.02 -1.35 -3.14 112.91 113.64 1dmo h THR 110 Ca 0.00 -2.81 0.00 0.00 0.77 0.00 0.00 66.41 64.37 1dmo h THR 110 Cb 0.61 2.51 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 1dmo h THR 110 CO 0.00 0.60 -0.84 0.59 0.37 0.00 0.00 175.52 176.24 1dmo n ASN 111 N -3.13 0.68 0.06 4.18 4.13 -0.92 -4.32 115.26 115.94 1dmo n ASN 111 Ca -0.15 0.04 -0.02 0.00 1.68 0.00 0.00 54.58 56.13 1dmo n ASN 111 Cb 1.03 0.44 -0.01 0.00 -1.54 0.00 0.00 39.78 39.70 1dmo n ASN 111 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1dmo h LEU 112 N 0.00 -0.12 -0.30 3.41 5.85 -1.43 -3.46 115.31 119.26 1dmo h LEU 112 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1dmo h LEU 112 Cb 0.78 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.84 1dmo h LEU 112 CO 0.00 -0.06 -0.00 0.61 -0.34 0.00 0.00 178.44 178.64 1dmo n GLY 113 N -0.08 0.19 1.94 3.75 0.00 -1.26 -4.90 105.19 104.83 1dmo n GLY 113 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.30 0.00 1.61 1.02 -1.19 -4.70 120.64 116.09 1dmo n GLU 114 Ca -0.00 0.71 0.00 0.00 -0.02 0.00 0.00 57.16 57.84 1dmo n GLU 114 Cb 0.13 -4.94 0.00 0.00 -0.02 0.00 0.00 31.44 26.61 1dmo n GLU 114 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1dmo n LYS 115 N -1.83 0.22 -3.18 3.49 4.76 -1.26 -4.19 118.16 116.16 1dmo n LYS 115 Ca -0.12 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.34 1dmo n LYS 115 Cb 0.40 -1.09 -0.02 0.00 -1.84 0.00 0.00 35.03 32.49 1dmo n LYS 115 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1dmo s LEU 116 N -0.16 -1.35 1.03 -0.35 2.96 -1.26 -5.13 118.68 114.42 1dmo s LEU 116 Ca 0.00 0.61 -0.18 0.00 -0.22 0.00 0.00 54.13 54.34 1dmo s LEU 116 Cb 0.00 1.99 -0.02 0.00 0.50 0.00 0.00 46.19 48.67 1dmo s LEU 116 CO 0.00 -0.28 -0.31 0.41 -1.32 0.00 0.00 176.35 174.85 1dmo n THR 117 N 5.42 0.00 0.20 3.68 -1.04 -1.26 -4.55 114.28 116.73 1dmo n THR 117 Ca 0.00 -0.25 -0.08 0.00 -2.04 0.00 0.00 64.05 61.69 1dmo n THR 117 Cb 0.52 -0.39 -0.04 0.00 -1.82 0.00 0.00 70.33 68.60 1dmo n THR 117 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1dmo h ASP 118 N -1.54 -0.43 -1.36 8.00 1.82 -1.98 -0.63 116.42 120.30 1dmo h ASP 118 Ca -0.46 0.01 0.44 0.00 -0.39 0.00 0.00 57.03 56.63 1dmo h ASP 118 Cb 1.33 0.11 -0.12 0.00 0.68 0.00 0.00 39.33 41.34 1dmo h ASP 118 CO 0.31 -0.27 0.89 1.05 -1.61 0.00 0.00 179.24 179.61 1dmo h GLU 119 N -0.57 0.09 -0.12 0.28 4.11 -1.98 0.86 114.58 117.24 1dmo h GLU 119 Ca -0.05 -0.01 -0.12 0.00 0.07 0.00 0.00 59.36 59.25 1dmo h GLU 119 Cb 0.39 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1dmo h GLU 119 CO 0.09 0.06 -0.41 0.93 0.07 0.00 0.00 179.01 179.75 1dmo h GLU 120 N 0.09 0.50 -0.29 1.06 5.08 -1.84 -1.10 114.58 118.07 1dmo h GLU 120 Ca 0.81 -0.37 -0.09 0.00 -1.00 0.00 0.00 59.36 58.72 1dmo h GLU 120 Cb 2.61 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 31.91 1dmo h GLU 120 CO -0.36 0.99 -0.18 0.28 -1.00 0.00 0.00 179.01 178.73 1dmo h VAL 121 N 0.10 1.25 -0.11 3.13 2.07 0.22 -2.32 116.25 120.58 1dmo h VAL 121 Ca -0.02 -1.15 -0.20 0.00 0.82 0.00 0.00 66.70 66.16 1dmo h VAL 121 Cb 1.03 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1dmo h VAL 121 CO 0.09 0.37 -0.74 -0.78 0.02 0.00 0.00 177.57 176.52 1dmo h ASP 122 N 0.48 0.67 0.21 0.57 1.82 -0.52 0.12 116.42 119.76 1dmo h ASP 122 Ca 0.08 -0.43 -0.05 0.00 -0.39 0.00 0.00 57.03 56.24 1dmo h ASP 122 Cb 0.59 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.39 1dmo h ASP 122 CO 0.04 1.20 -0.22 -0.08 -1.61 0.00 0.00 179.24 178.56 1dmo h GLU 123 N 0.38 0.03 0.02 0.28 4.57 -0.94 -2.09 114.58 116.83 1dmo h GLU 123 Ca -0.04 -0.01 -0.21 0.00 -1.18 0.00 0.00 59.36 57.92 1dmo h GLU 123 Cb 1.34 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.90 1dmo h GLU 123 CO 0.14 0.25 -1.16 0.52 -1.18 0.00 0.00 179.01 177.58 1dmo h MET 124 N 0.03 0.05 -0.54 1.92 2.86 -1.29 -3.37 114.93 114.59 1dmo h MET 124 Ca 0.00 -0.08 0.11 0.00 -2.06 0.00 0.00 59.70 57.67 1dmo h MET 124 Cb 0.41 0.03 -0.09 0.00 0.06 0.00 0.00 31.60 32.01 1dmo h MET 124 CO 0.03 1.04 -0.06 0.82 1.06 0.00 0.00 176.91 179.80 1dmo h ILE 125 N -0.84 0.52 -0.68 -1.22 2.04 -0.73 0.62 117.51 117.23 1dmo h ILE 125 Ca -0.30 -0.02 0.20 0.00 1.00 0.00 0.00 64.86 65.73 1dmo h ILE 125 Cb 1.37 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 1dmo h ILE 125 CO -0.13 0.01 0.70 -0.09 0.00 0.00 0.00 178.15 178.64 1dmo h ARG 126 N 0.06 0.00 -1.22 2.37 2.43 -1.55 -1.98 114.38 114.49 1dmo h ARG 126 Ca 0.27 0.00 -0.39 0.00 -0.81 0.00 0.00 59.98 59.05 1dmo h ARG 126 Cb 0.42 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.57 1dmo h ARG 126 CO -0.50 0.00 -1.19 0.39 -1.51 0.00 0.00 179.97 177.16 1dmo n GLU 127 N -3.65 1.14 -3.01 0.20 1.02 0.18 -4.93 120.64 111.60 1dmo n GLU 127 Ca 0.14 -3.30 -0.44 0.00 -0.02 0.00 0.00 57.16 53.54 1dmo n GLU 127 Cb 0.94 -1.36 0.01 0.00 -0.02 0.00 0.00 31.44 31.01 1dmo n GLU 127 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dmo n ALA 128 N 0.01 4.86 -3.63 0.62 0.00 0.72 -4.67 120.51 118.41 1dmo n ALA 128 Ca 0.13 -4.67 -0.22 0.00 0.00 0.00 0.00 53.44 48.68 1dmo n ALA 128 Cb 0.78 -2.51 0.04 0.00 0.00 0.00 0.00 19.45 17.76 1dmo n ALA 128 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1dmo n ASN 129 N 2.32 -2.79 -4.75 0.00 3.02 -1.26 -4.11 115.26 107.69 1dmo n ASN 129 Ca 0.28 -0.84 -0.22 0.00 -0.03 0.00 0.00 54.58 53.76 1dmo n ASN 129 Cb 0.36 -4.09 -0.06 0.00 -0.61 0.00 0.00 39.78 35.38 1dmo n ASN 129 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1dmo s ILE 130 N -3.59 3.99 0.22 2.41 1.01 -1.26 -4.26 121.20 119.72 1dmo s ILE 130 Ca 0.16 -1.62 0.00 0.00 0.00 0.00 0.00 60.65 59.20 1dmo s ILE 130 Cb -0.04 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.26 1dmo s ILE 130 CO 0.81 -0.35 0.00 0.47 0.00 0.00 0.00 174.94 175.87 1dmo n ASP 131 N -1.07 0.16 0.00 3.58 9.92 -1.26 -5.04 116.55 122.85 1dmo n ASP 131 Ca -0.07 0.36 0.00 0.00 -0.53 0.00 0.00 54.79 54.55 1dmo n ASP 131 Cb 0.58 0.19 0.00 0.00 -0.64 0.00 0.00 41.12 41.25 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 2.05 0.16 0.09 0.44 0.00 -1.26 -4.97 105.19 101.70 1dmo n GLY 132 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1dmo n GLY 132 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1dmo h ASP 133 N 0.00 0.00 -0.85 1.61 1.82 -2.00 -3.48 116.42 113.52 1dmo h ASP 133 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1dmo h ASP 133 Cb 0.07 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.08 1dmo h ASP 133 CO 0.00 0.82 0.00 0.61 -1.61 0.00 0.00 179.24 179.06 1dmo n GLY 134 N 1.44 0.59 1.28 -0.78 0.00 -1.26 -5.11 105.19 101.35 1dmo n GLY 134 Ca -0.10 -0.30 -0.08 0.00 0.00 0.00 0.00 46.02 45.54 1dmo n GLY 134 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1dmo n GLN 135 N -0.42 0.17 -3.66 1.61 6.02 -1.26 -4.54 117.38 115.29 1dmo n GLN 135 Ca 0.00 -1.30 -0.07 0.00 -0.01 0.00 0.00 57.00 55.61 1dmo n GLN 135 Cb 0.19 1.09 -0.08 0.00 1.02 0.00 0.00 30.24 32.45 1dmo n GLN 135 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1dmo s VAL 136 N -2.54 -0.57 -1.03 5.09 1.01 0.33 -4.59 120.40 118.10 1dmo s VAL 136 Ca 0.15 0.11 -0.23 0.00 0.00 0.00 0.00 61.98 62.01 1dmo s VAL 136 Cb 0.01 -0.76 -0.12 0.00 0.00 0.00 0.00 36.38 35.51 1dmo s VAL 136 CO 0.11 0.04 1.92 -3.20 0.00 0.00 0.00 175.10 173.98 1dmo n ASN 137 N 5.13 2.85 -0.33 3.32 5.15 -1.26 -1.48 115.26 128.64 1dmo n ASN 137 Ca -0.13 -2.69 0.23 0.00 -0.60 0.00 0.00 54.58 51.40 1dmo n ASN 137 Cb 0.51 -1.51 0.45 0.00 -0.53 0.00 0.00 39.78 38.70 1dmo n ASN 137 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 1dmo h TYR 138 N 9.11 0.73 -0.19 1.20 -0.00 -1.91 0.17 116.97 126.09 1dmo h TYR 138 Ca 0.29 0.04 0.05 0.00 0.00 0.00 0.00 58.73 59.11 1dmo h TYR 138 Cb 0.84 -0.16 -0.06 0.00 0.00 0.00 0.00 36.73 37.35 1dmo h TYR 138 CO 1.22 -0.27 -0.22 0.93 -0.00 0.00 0.00 178.16 179.81 1dmo h GLU 139 N 0.21 -0.24 0.00 0.10 3.07 -1.85 0.99 114.58 116.86 1dmo h GLU 139 Ca 0.72 0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 59.55 1dmo h GLU 139 Cb 1.67 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.63 1dmo h GLU 139 CO -0.68 -0.16 -0.22 0.93 -1.40 0.00 0.00 179.01 177.49 1dmo h GLU 140 N -0.25 0.00 0.00 2.33 5.08 -1.14 -1.36 114.58 119.24 1dmo h GLU 140 Ca 0.12 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.39 1dmo h GLU 140 Cb 0.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1dmo h GLU 140 CO -0.34 0.22 -0.43 0.35 -1.00 0.00 0.00 179.01 177.81 1dmo h PHE 141 N 0.00 0.00 0.56 4.33 3.57 0.13 -2.70 116.94 122.83 1dmo h PHE 141 Ca -0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1dmo h PHE 141 Cb 0.45 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.20 1dmo h PHE 141 CO 0.00 0.43 -0.27 0.28 -2.23 0.00 0.00 178.31 176.52 1dmo h VAL 142 N 0.00 0.00 -0.90 1.41 2.07 0.20 -2.05 116.25 116.98 1dmo h VAL 142 Ca -0.00 -0.45 0.12 0.00 0.82 0.00 0.00 66.70 67.19 1dmo h VAL 142 Cb 0.94 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.64 1dmo h VAL 142 CO 0.06 0.00 0.58 -0.61 0.02 0.00 0.00 177.57 177.62 1dmo h GLN 143 N -1.20 0.78 0.00 1.57 4.15 -1.59 0.75 115.11 119.57 1dmo h GLN 143 Ca -0.08 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.24 1dmo h GLN 143 Cb 0.58 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 1dmo h GLN 143 CO 0.13 0.51 -0.27 1.98 -1.93 0.00 0.00 178.83 179.25 1dmo h MET 144 N 0.80 0.00 0.04 1.69 4.05 -1.48 -2.83 114.93 117.20 1dmo h MET 144 Ca 0.44 0.00 -0.23 0.00 -0.28 0.00 0.00 59.70 59.63 1dmo h MET 144 Cb 0.57 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.35 1dmo h MET 144 CO -0.20 0.27 -1.07 0.52 0.23 0.00 0.00 176.91 176.65 1dmo h MET 145 N 0.00 0.09 -1.16 0.39 2.86 -0.12 -3.24 114.93 113.75 1dmo h MET 145 Ca -0.00 -0.15 -0.16 0.00 -2.06 0.00 0.00 59.70 57.33 1dmo h MET 145 Cb 0.57 0.06 -0.09 0.00 0.06 0.00 0.00 31.60 32.19 1dmo h MET 145 CO 0.03 1.07 0.21 0.25 1.06 0.00 0.00 176.91 179.53 1dmo n THR 146 N -3.41 1.84 -1.56 2.22 -2.24 -0.79 -4.90 114.28 105.44 1dmo n THR 146 Ca -0.03 -0.71 -0.20 0.00 -2.27 0.00 0.00 64.05 60.85 1dmo n THR 146 Cb 0.96 -0.97 0.14 0.00 -2.10 0.00 0.00 70.33 68.36 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 0.20 -1.12 1.71 6.98 0.00 -1.23 -5.05 120.51 122.00 1dmo n ALA 147 Ca 0.18 -1.16 0.14 0.00 0.00 0.00 0.00 53.44 52.60 1dmo n ALA 147 Cb 0.78 -0.06 0.81 0.00 0.00 0.00 0.00 19.45 20.98 1dmo n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13