#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmo s ILE 3 N 0.00 4.61 0.64 4.25 1.01 -1.26 -5.02 121.20 125.43 1xmo s ILE 3 Ca 0.00 1.44 -0.16 0.00 0.00 0.00 0.00 60.65 61.94 1xmo s ILE 3 Cb 0.00 -4.32 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 1xmo s ILE 3 CO 0.00 -0.42 1.10 0.42 0.00 0.00 0.00 174.94 176.04 1xmo s THR 4 N 3.40 3.34 0.27 2.92 -4.23 -1.26 -4.81 115.64 115.27 1xmo s THR 4 Ca 0.40 0.64 0.00 0.00 -1.18 0.00 0.00 61.69 61.55 1xmo s THR 4 Cb -0.13 -3.17 0.26 0.00 1.34 0.00 0.00 72.50 70.81 1xmo s THR 4 CO 0.15 -0.37 1.70 0.11 -0.54 0.00 0.00 174.62 175.68 1xmo h LYS 5 N 0.21 0.38 0.77 3.99 1.57 -1.99 0.17 116.57 121.67 1xmo h LYS 5 Ca -0.47 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.25 1xmo h LYS 5 Cb 1.24 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 33.48 1xmo h LYS 5 CO 0.55 0.25 -0.37 0.93 -0.57 0.00 0.00 179.45 180.24 1xmo h GLU 6 N 0.39 -1.00 -0.87 3.15 4.39 -1.98 0.90 114.58 119.56 1xmo h GLU 6 Ca 0.50 0.07 0.18 0.00 0.34 0.00 0.00 59.36 60.45 1xmo h GLU 6 Cb 0.89 0.23 -0.16 0.00 -0.10 0.00 0.00 28.75 29.60 1xmo h GLU 6 CO -0.50 -0.67 -0.19 0.39 -1.16 0.00 0.00 179.01 176.89 1xmo n GLU 7 N -4.91 -0.08 0.13 2.33 -0.58 -0.10 0.11 120.64 117.54 1xmo n GLU 7 Ca -0.13 1.35 -0.05 0.00 -0.42 0.00 0.00 57.16 57.91 1xmo n GLU 7 Cb 0.41 -2.03 -0.02 0.00 -0.57 0.00 0.00 31.44 29.22 1xmo n GLU 7 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1xmo h LYS 8 N 0.00 -0.31 -0.94 3.49 3.64 -0.42 -2.80 116.57 119.23 1xmo h LYS 8 Ca 0.43 0.02 0.26 0.00 -1.27 0.00 0.00 60.65 60.09 1xmo h LYS 8 Cb 0.70 0.07 -0.14 0.00 -0.41 0.00 0.00 32.23 32.45 1xmo h LYS 8 CO -0.88 -0.21 0.43 1.96 -2.27 0.00 0.00 179.45 178.48 1xmo h GLN 9 N -0.38 0.34 -0.55 1.90 1.08 0.47 0.19 115.11 118.17 1xmo h GLN 9 Ca -0.03 -0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.24 1xmo h GLN 9 Cb 0.25 -0.08 -0.08 0.00 -0.05 0.00 0.00 27.48 27.52 1xmo h GLN 9 CO 0.05 0.22 0.11 -0.22 -0.95 0.00 0.00 178.83 178.04 1xmo h LYS 10 N 0.35 0.23 -0.24 1.46 1.63 0.82 -0.58 116.57 120.23 1xmo h LYS 10 Ca 0.63 -0.01 -0.17 0.00 -0.85 0.00 0.00 60.65 60.24 1xmo h LYS 10 Cb 1.30 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.87 1xmo h LYS 10 CO -0.58 0.15 -0.53 0.28 -3.45 0.00 0.00 179.45 175.32 1xmo h VAL 11 N 0.24 1.30 0.90 2.00 2.07 -0.39 -3.24 116.25 119.12 1xmo h VAL 11 Ca 0.28 -1.75 -0.04 0.00 0.82 0.00 0.00 66.70 66.01 1xmo h VAL 11 Cb 0.40 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1xmo h VAL 11 CO -0.37 0.56 -0.49 0.40 0.02 0.00 0.00 177.57 177.69 1xmo h ILE 12 N 0.56 0.00 0.00 4.57 2.04 -0.40 -2.11 117.51 122.17 1xmo h ILE 12 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1xmo h ILE 12 Cb 1.11 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1xmo h ILE 12 CO 0.11 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.26 1xmo n GLN 13 N -5.60 0.40 -0.01 2.37 6.02 -0.31 -1.65 117.38 118.59 1xmo n GLN 13 Ca -0.16 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.82 1xmo n GLN 13 Cb 0.52 -1.23 -0.02 0.00 1.02 0.00 0.00 30.24 30.53 1xmo n GLN 13 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1xmo n GLU 14 N 0.44 3.54 -0.06 -1.09 4.07 -0.81 -4.81 120.64 121.94 1xmo n GLU 14 Ca 0.00 -0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 57.04 1xmo n GLU 14 Cb 0.13 -1.06 -0.08 0.00 -0.06 0.00 0.00 31.44 30.37 1xmo n GLU 14 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1xmo n PHE 15 N -2.10 0.00 -1.03 4.31 3.01 -0.66 -5.05 117.46 115.95 1xmo n PHE 15 Ca -0.04 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.02 1xmo n PHE 15 Cb 0.58 -0.52 -0.06 0.00 -0.01 0.00 0.00 39.48 39.47 1xmo n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xmo n ALA 16 N -2.49 -2.35 0.17 4.37 0.00 -0.78 -4.76 120.51 114.67 1xmo n ALA 16 Ca -0.19 0.39 0.13 0.00 0.00 0.00 0.00 53.44 53.78 1xmo n ALA 16 Cb 0.83 -1.19 0.68 0.00 0.00 0.00 0.00 19.45 19.77 1xmo n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xmo h ARG 17 N 2.21 0.00 -1.58 0.00 2.47 -1.92 -3.44 114.38 112.11 1xmo h ARG 17 Ca -0.33 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 58.45 1xmo h ARG 17 Cb 0.95 0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 29.02 1xmo h ARG 17 CO 0.47 0.00 0.49 -0.59 0.56 0.00 0.00 179.97 180.90 1xmo s PHE 18 N -5.00 -0.43 -0.48 3.04 -0.12 -1.26 -5.07 117.98 108.66 1xmo s PHE 18 Ca -0.05 0.91 -0.44 0.00 -0.05 0.00 0.00 56.93 57.30 1xmo s PHE 18 Cb 0.18 0.40 -0.19 0.00 -0.63 0.00 0.00 43.02 42.78 1xmo s PHE 18 CO 0.67 -0.29 1.87 -2.30 -0.05 0.00 0.00 175.22 175.13 1xmo n PRO 19 N 1.50 0.00 0.00 1.99 -0.02 -1.26 -0.72 135.00 136.49 1xmo n PRO 19 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 1xmo n PRO 19 Cb 0.57 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 1xmo n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xmo n GLY 20 N 5.97 0.93 3.48 -1.23 0.00 -1.26 -5.07 105.19 108.00 1xmo n GLY 20 Ca 0.44 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.04 1xmo n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xmo s ASP 21 N -1.12 6.20 -0.28 1.61 3.68 0.10 -4.84 116.67 122.02 1xmo s ASP 21 Ca 0.00 -0.80 -0.13 0.00 2.13 0.00 0.00 52.55 53.75 1xmo s ASP 21 Cb 0.00 -2.45 -0.13 0.00 -1.45 0.00 0.00 42.92 38.90 1xmo s ASP 21 CO 0.00 -1.48 -0.33 0.35 0.13 0.00 0.00 175.17 173.85 1xmo n THR 22 N 6.04 1.53 -1.16 1.71 -2.24 -1.26 -4.64 114.28 114.27 1xmo n THR 22 Ca -0.02 -0.39 -0.26 0.00 -2.27 0.00 0.00 64.05 61.11 1xmo n THR 22 Cb 0.46 -1.85 0.14 0.00 -2.10 0.00 0.00 70.33 66.98 1xmo n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xmo n GLY 23 N 1.33 4.82 3.82 3.38 0.00 -1.26 -4.54 105.19 112.75 1xmo n GLY 23 Ca -0.53 -1.43 -0.32 0.00 0.00 0.00 0.00 46.02 43.74 1xmo n GLY 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xmo s SER 24 N -1.31 5.96 0.50 1.61 1.04 -1.26 -4.86 113.70 115.37 1xmo s SER 24 Ca 0.56 1.66 0.28 0.00 0.48 0.00 0.00 55.95 58.94 1xmo s SER 24 Cb 0.46 -2.51 1.55 0.00 0.10 0.00 0.00 66.02 65.62 1xmo s SER 24 CO 0.06 -1.04 1.85 0.74 0.98 0.00 0.00 173.24 175.83 1xmo h THR 25 N 0.22 0.00 0.00 2.02 2.02 -2.00 -1.80 112.91 113.37 1xmo h THR 25 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1xmo h THR 25 Cb 1.21 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 1xmo h THR 25 CO 0.59 0.00 -0.27 -0.33 0.37 0.00 0.00 175.52 175.88 1xmo h GLU 26 N 0.00 0.00 -0.66 6.66 3.07 -1.94 -3.12 114.58 118.59 1xmo h GLU 26 Ca 0.00 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 58.93 1xmo h GLU 26 Cb 0.26 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 28.09 1xmo h GLU 26 CO 0.00 0.00 -0.36 0.28 -1.40 0.00 0.00 179.01 177.53 1xmo n VAL 27 N -3.77 -0.42 0.01 3.13 0.31 -1.06 0.68 118.33 117.20 1xmo n VAL 27 Ca -0.04 1.59 -0.06 0.00 -0.01 0.00 0.00 64.34 65.83 1xmo n VAL 27 Cb 0.14 -2.00 -0.04 0.00 -0.91 0.00 0.00 33.84 31.03 1xmo n VAL 27 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1xmo h GLN 28 N 0.00 -0.23 -0.48 5.55 4.20 -1.51 0.83 115.11 123.46 1xmo h GLN 28 Ca 0.14 0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.92 1xmo h GLN 28 Cb 0.31 0.05 -0.08 0.00 0.30 0.00 0.00 27.48 28.06 1xmo h GLN 28 CO -0.63 -0.15 -0.47 0.28 -0.67 0.00 0.00 178.83 177.19 1xmo h VAL 29 N -0.24 0.00 -0.35 -0.54 2.07 0.32 0.20 116.25 117.72 1xmo h VAL 29 Ca 0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.57 1xmo h VAL 29 Cb 0.27 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.97 1xmo h VAL 29 CO -0.15 0.00 -0.45 0.00 0.02 0.00 0.00 177.57 176.99 1xmo h ALA 30 N -0.12 -0.67 -0.81 1.67 0.00 -0.20 0.14 119.26 119.26 1xmo h ALA 30 Ca 0.08 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.07 1xmo h ALA 30 Cb 0.44 1.06 -0.10 0.00 0.00 0.00 0.00 17.79 19.19 1xmo h ALA 30 CO -0.58 -0.89 -0.48 -0.11 0.00 0.00 0.00 179.25 177.19 1xmo n LEU 31 N -4.82 -0.86 -0.05 0.00 7.94 0.28 -1.31 117.00 118.18 1xmo n LEU 31 Ca -0.03 1.62 -0.09 0.00 -1.11 0.00 0.00 56.01 56.41 1xmo n LEU 31 Cb 0.27 -0.28 -0.06 0.00 0.53 0.00 0.00 43.42 43.88 1xmo n LEU 31 CO -0.00 -1.27 0.50 -0.07 -1.11 0.00 0.00 177.39 175.44 1xmo h LEU 32 N 0.00 -1.10 -1.36 -1.96 3.38 0.48 0.14 115.31 114.89 1xmo h LEU 32 Ca 0.13 0.14 0.44 0.00 0.09 0.00 0.00 57.88 58.68 1xmo h LEU 32 Cb 0.33 0.44 -0.10 0.00 0.09 0.00 0.00 40.66 41.42 1xmo h LEU 32 CO -0.76 -0.27 0.91 0.41 0.09 0.00 0.00 178.44 178.82 1xmo n THR 33 N -4.31 -0.15 0.10 0.22 -1.04 0.38 0.12 114.28 109.60 1xmo n THR 33 Ca -0.03 1.48 -0.04 0.00 -2.04 0.00 0.00 64.05 63.42 1xmo n THR 33 Cb 0.22 -2.43 -0.02 0.00 -1.82 0.00 0.00 70.33 66.28 1xmo n THR 33 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1xmo h LEU 34 N 0.00 -0.23 -1.59 -4.42 6.46 0.45 0.23 115.31 116.21 1xmo h LEU 34 Ca 0.78 0.01 0.35 0.00 -0.12 0.00 0.00 57.88 58.89 1xmo h LEU 34 Cb 2.71 0.06 -0.09 0.00 -0.73 0.00 0.00 40.66 42.61 1xmo h LEU 34 CO -0.28 -0.08 0.81 0.03 -0.62 0.00 0.00 178.44 178.29 1xmo h ARG 35 N -0.42 0.18 0.26 1.25 3.08 0.15 -0.44 114.38 118.44 1xmo h ARG 35 Ca -0.03 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1xmo h ARG 35 Cb 0.20 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1xmo h ARG 35 CO 0.04 0.12 -0.12 0.82 -1.07 0.00 0.00 179.97 179.76 1xmo h ILE 36 N 0.19 0.00 -0.24 2.04 2.04 0.24 -3.06 117.51 118.72 1xmo h ILE 36 Ca 0.66 -0.69 0.07 0.00 1.00 0.00 0.00 64.86 65.90 1xmo h ILE 36 Cb 2.11 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 1xmo h ILE 36 CO -0.23 0.00 0.46 0.78 0.00 0.00 0.00 178.15 179.16 1xmo h ASN 37 N -1.03 0.00 0.00 1.72 -0.26 0.41 0.74 115.58 117.16 1xmo h ASN 37 Ca -0.04 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.70 1xmo h ASN 37 Cb 0.26 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.52 1xmo h ASN 37 CO 0.06 0.00 0.00 0.54 -1.06 0.00 0.00 177.43 176.97 1xmo n ARG 38 N -3.27 0.00 -0.58 0.81 5.12 -0.26 -3.44 116.66 115.04 1xmo n ARG 38 Ca 0.04 0.04 0.46 0.00 -1.93 0.00 0.00 57.85 56.46 1xmo n ARG 38 Cb 0.57 -0.77 0.76 0.00 -1.16 0.00 0.00 32.46 31.86 1xmo n ARG 38 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1xmo h LEU 39 N 0.00 0.08 -2.37 0.55 6.46 -1.35 2.95 115.31 121.64 1xmo h LEU 39 Ca 0.00 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.81 1xmo h LEU 39 Cb 0.00 0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 39.98 1xmo h LEU 39 CO 0.00 -0.08 -0.04 0.28 -0.62 0.00 0.00 178.44 177.98 1xmo h SER 40 N 0.02 0.00 0.00 1.25 0.02 -0.95 0.49 113.55 114.38 1xmo h SER 40 Ca 0.88 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.82 1xmo h SER 40 Cb 3.25 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 65.79 1xmo h SER 40 CO -0.17 0.04 -0.12 -0.08 -1.14 0.00 0.00 176.83 175.35 1xmo h GLU 41 N 0.00 0.00 -0.91 3.45 4.57 0.53 -3.02 114.58 119.20 1xmo h GLU 41 Ca -0.00 0.00 0.26 0.00 -1.18 0.00 0.00 59.36 58.44 1xmo h GLU 41 Cb 0.12 0.00 -0.15 0.00 -0.16 0.00 0.00 28.75 28.56 1xmo h GLU 41 CO 0.00 0.22 0.21 1.25 -1.18 0.00 0.00 179.01 179.52 1xmo h HIS 42 N -1.00 0.30 0.00 0.92 -0.00 -1.24 0.94 115.15 115.07 1xmo h HIS 42 Ca -0.01 0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.40 1xmo h HIS 42 Cb 0.31 0.02 -0.00 0.00 -0.00 0.00 0.00 27.41 27.73 1xmo h HIS 42 CO 0.02 -0.28 -0.07 -0.07 -0.00 0.00 0.00 177.93 177.54 1xmo h LEU 43 N 0.15 0.00 -1.90 0.26 3.38 -1.04 -1.49 115.31 114.67 1xmo h LEU 43 Ca 0.58 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.54 1xmo h LEU 43 Cb 1.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 1xmo h LEU 43 CO -0.72 0.07 -0.09 0.50 0.09 0.00 0.00 178.44 178.28 1xmo h LYS 44 N 0.00 0.00 0.00 1.13 3.64 0.11 -3.24 116.57 118.21 1xmo h LYS 44 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xmo h LYS 44 Cb 0.73 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1xmo h LYS 44 CO 0.01 0.09 0.00 0.28 -2.27 0.00 0.00 179.45 177.56 1xmo n VAL 45 N -4.24 0.00 -0.84 2.00 0.31 -0.91 -4.62 118.33 110.03 1xmo n VAL 45 Ca -0.03 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.87 1xmo n VAL 45 Cb 0.17 -0.43 -0.09 0.00 -0.91 0.00 0.00 33.84 32.58 1xmo n VAL 45 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1xmo n HIS 46 N -0.93 0.88 0.23 3.52 8.25 -0.61 -4.62 115.22 121.95 1xmo n HIS 46 Ca 0.00 -1.08 0.06 0.00 -0.26 0.00 0.00 57.72 56.45 1xmo n HIS 46 Cb 0.00 -1.24 0.55 0.00 1.12 0.00 0.00 29.99 30.42 1xmo n HIS 46 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1xmo h LYS 47 N 9.12 0.00 0.00 -0.41 1.57 -1.81 -0.85 116.57 124.19 1xmo h LYS 47 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1xmo h LYS 47 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1xmo h LYS 47 CO 1.97 0.14 0.00 -0.22 -0.57 0.00 0.00 179.45 180.77 1xmo h LYS 48 N 0.00 0.00 -4.71 3.15 3.64 -1.90 -3.39 116.57 113.36 1xmo h LYS 48 Ca -0.00 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 58.76 1xmo h LYS 48 Cb 0.25 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1xmo h LYS 48 CO 0.02 0.00 2.35 -3.47 -2.27 0.00 0.00 179.45 176.08 1xmo n ASP 49 N -2.39 3.42 -0.01 4.20 -0.08 -0.33 -4.75 116.55 116.60 1xmo n ASP 49 Ca 0.03 -2.77 -0.11 0.00 -1.51 0.00 0.00 54.79 50.42 1xmo n ASP 49 Cb 0.29 -1.49 -0.06 0.00 2.34 0.00 0.00 41.12 42.20 1xmo n ASP 49 CO 0.00 0.00 0.00 0.45 0.12 0.00 0.00 177.20 177.77 1xmo h HIS 50 N 7.54 0.14 -0.36 -0.67 3.86 -1.85 -3.12 115.15 120.69 1xmo h HIS 50 Ca 0.44 -0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.72 1xmo h HIS 50 Cb 0.74 -0.04 -0.08 0.00 1.06 0.00 0.00 27.41 29.08 1xmo h HIS 50 CO 1.33 0.23 -0.19 0.45 0.86 0.00 0.00 177.93 180.61 1xmo h HIS 51 N 0.01 -0.49 -0.84 2.45 3.86 -1.98 -0.43 115.15 117.73 1xmo h HIS 51 Ca 0.03 0.04 0.12 0.00 -1.16 0.00 0.00 60.37 59.40 1xmo h HIS 51 Cb 0.15 0.27 -0.08 0.00 1.06 0.00 0.00 27.41 28.81 1xmo h HIS 51 CO -0.02 -0.27 0.46 0.77 0.86 0.00 0.00 177.93 179.72 1xmo h SER 52 N -0.14 0.62 -0.29 2.45 0.02 -1.97 -2.44 113.55 111.80 1xmo h SER 52 Ca 0.18 0.07 0.06 0.00 -0.84 0.00 0.00 61.79 61.25 1xmo h SER 52 Cb 0.42 -0.05 -0.08 0.00 0.14 0.00 0.00 62.40 62.83 1xmo h SER 52 CO -0.45 0.32 -0.45 -0.74 -1.14 0.00 0.00 176.83 174.38 1xmo h HIS 53 N 0.72 -1.30 -0.91 3.45 6.17 -1.01 0.49 115.15 122.76 1xmo h HIS 53 Ca 0.43 0.06 0.26 0.00 0.71 0.00 0.00 60.37 61.83 1xmo h HIS 53 Cb 0.48 0.61 -0.04 0.00 2.52 0.00 0.00 27.41 30.99 1xmo h HIS 53 CO -0.07 -0.47 0.69 -0.09 0.71 0.00 0.00 177.93 178.70 1xmo h ARG 54 N -0.41 0.00 -0.39 5.26 2.43 -1.21 1.52 114.38 121.58 1xmo h ARG 54 Ca 0.10 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1xmo h ARG 54 Cb 0.61 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 1xmo h ARG 54 CO -0.51 0.00 0.19 0.78 -1.51 0.00 0.00 179.97 178.92 1xmo h GLY 55 N 0.00 0.60 1.60 2.80 0.00 0.05 -2.39 103.07 105.73 1xmo h GLY 55 Ca 0.43 -0.30 -0.14 0.00 0.00 0.00 0.00 47.33 47.33 1xmo h GLY 55 CO -0.00 0.28 -0.47 -2.00 0.00 0.00 0.00 176.54 174.34 1xmo h LEU 56 N 0.49 0.46 -1.90 3.11 5.85 0.23 -2.30 115.31 121.25 1xmo h LEU 56 Ca 0.13 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1xmo h LEU 56 Cb 0.12 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.02 1xmo h LEU 56 CO -0.02 0.87 0.00 0.25 -0.34 0.00 0.00 178.44 179.20 1xmo h LEU 57 N 0.34 0.00 0.08 2.25 5.85 0.50 -1.95 115.31 122.38 1xmo h LEU 57 Ca 0.02 0.00 -0.38 0.00 0.84 0.00 0.00 57.88 58.36 1xmo h LEU 57 Cb 0.96 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.96 1xmo h LEU 57 CO 0.08 0.00 -2.19 0.23 -0.34 0.00 0.00 178.44 176.23 1xmo n MET 58 N -2.60 0.72 -0.10 1.25 2.81 -0.91 -3.57 117.12 114.72 1xmo n MET 58 Ca -0.01 0.22 -0.09 0.00 -1.81 0.00 0.00 57.70 56.00 1xmo n MET 58 Cb 0.08 -1.63 -0.01 0.00 -0.71 0.00 0.00 33.22 30.95 1xmo n MET 58 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1xmo h MET 59 N 0.04 0.46 -0.71 0.03 2.86 -0.99 0.26 114.93 116.89 1xmo h MET 59 Ca -0.49 -0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.19 1xmo h MET 59 Cb 1.98 -0.10 -0.06 0.00 0.06 0.00 0.00 31.60 33.48 1xmo h MET 59 CO 0.02 0.35 0.39 0.28 1.06 0.00 0.00 176.91 179.01 1xmo h VAL 60 N 0.44 0.94 0.16 -2.22 2.07 -1.56 0.65 116.25 116.73 1xmo h VAL 60 Ca 0.12 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1xmo h VAL 60 Cb 0.00 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 1xmo h VAL 60 CO -0.02 0.13 -0.09 1.23 0.02 0.00 0.00 177.57 178.84 1xmo h GLY 61 N 0.70 -0.35 -1.34 2.17 0.00 -1.40 -0.91 103.07 101.94 1xmo h GLY 61 Ca 0.33 0.14 0.48 0.00 0.00 0.00 0.00 47.33 48.28 1xmo h GLY 61 CO -0.21 -0.13 1.07 -1.61 0.00 0.00 0.00 176.54 175.66 1xmo h GLN 62 N -0.23 0.04 0.22 4.80 5.75 -0.11 0.63 115.11 126.20 1xmo h GLN 62 Ca -0.02 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 1xmo h GLN 62 Cb 0.18 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.72 1xmo h GLN 62 CO 0.03 0.03 -0.10 -0.09 -2.65 0.00 0.00 178.83 176.04 1xmo h ARG 63 N 0.04 -0.28 -0.08 1.69 2.43 0.96 -2.77 114.38 116.37 1xmo h ARG 63 Ca 0.83 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 60.02 1xmo h ARG 63 Cb 3.00 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 32.61 1xmo h ARG 63 CO -0.21 0.10 0.03 0.07 -1.51 0.00 0.00 179.97 178.45 1xmo h ARG 64 N -0.88 0.11 -0.68 0.20 0.11 0.41 -1.73 114.38 111.92 1xmo h ARG 64 Ca -0.03 -0.01 -0.07 0.00 0.10 0.00 0.00 59.98 59.97 1xmo h ARG 64 Cb 0.51 -0.02 -0.03 0.00 1.11 0.00 0.00 29.97 31.54 1xmo h ARG 64 CO 0.05 0.10 0.14 -0.09 0.10 0.00 0.00 179.97 180.26 1xmo h ARG 65 N 0.11 1.10 0.25 0.08 2.43 -1.04 0.61 114.38 117.91 1xmo h ARG 65 Ca 0.03 -0.28 -0.01 0.00 -0.81 0.00 0.00 59.98 58.91 1xmo h ARG 65 Cb 0.04 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1xmo h ARG 65 CO -0.00 0.99 -0.12 -0.07 -1.51 0.00 0.00 179.97 179.26 1xmo h LEU 66 N 1.04 -0.28 -0.13 3.80 3.38 -1.04 -2.70 115.31 119.38 1xmo h LEU 66 Ca 0.21 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 58.04 1xmo h LEU 66 Cb 0.40 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 1xmo h LEU 66 CO 0.01 0.04 -0.42 -0.07 0.09 0.00 0.00 178.44 178.09 1xmo h LEU 67 N -0.62 -1.31 -1.28 1.67 3.38 -1.14 0.43 115.31 116.44 1xmo h LEU 67 Ca -0.03 0.17 0.45 0.00 0.09 0.00 0.00 57.88 58.56 1xmo h LEU 67 Cb 0.44 0.53 -0.15 0.00 0.09 0.00 0.00 40.66 41.58 1xmo h LEU 67 CO 0.06 -0.43 0.78 -0.09 0.09 0.00 0.00 178.44 178.85 1xmo h ARG 68 N -0.49 0.04 0.02 1.13 2.43 0.27 2.10 114.38 119.88 1xmo h ARG 68 Ca 0.07 -0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 59.03 1xmo h ARG 68 Cb 0.63 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 1xmo h ARG 68 CO -0.40 0.03 -0.96 -0.92 -1.51 0.00 0.00 179.97 176.21 1xmo h TYR 69 N 0.04 0.20 0.39 2.20 3.20 0.07 -3.17 116.97 119.90 1xmo h TYR 69 Ca 0.85 -0.13 -0.02 0.00 3.14 0.00 0.00 58.73 62.58 1xmo h TYR 69 Cb 2.58 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 40.83 1xmo h TYR 69 CO -0.01 1.01 -0.19 1.25 -1.64 0.00 0.00 178.16 178.58 1xmo h LEU 70 N 0.06 -0.44 -0.80 2.82 5.85 0.57 -2.05 115.31 121.31 1xmo h LEU 70 Ca -0.04 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1xmo h LEU 70 Cb 1.64 0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.79 1xmo h LEU 70 CO 0.14 -0.01 0.40 -0.61 -0.34 0.00 0.00 178.44 178.02 1xmo h GLN 71 N -1.00 0.00 0.00 1.25 4.15 -0.71 -1.70 115.11 117.09 1xmo h GLN 71 Ca -0.05 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1xmo h GLN 71 Cb 0.53 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.22 1xmo h GLN 71 CO 0.09 0.00 -0.01 -0.09 -1.93 0.00 0.00 178.83 176.89 1xmo h ARG 72 N 0.00 0.00 0.00 1.69 2.43 -1.48 -3.35 114.38 113.67 1xmo h ARG 72 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1xmo h ARG 72 Cb 0.80 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1xmo h ARG 72 CO 0.00 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 178.85 1xmo n GLU 73 N -2.27 0.00 -3.90 0.20 -0.58 -0.73 -4.24 120.64 109.11 1xmo n GLU 73 Ca -0.00 0.68 -0.30 0.00 -0.42 0.00 0.00 57.16 57.12 1xmo n GLU 73 Cb 0.00 -1.40 -0.14 0.00 -0.57 0.00 0.00 31.44 29.34 1xmo n GLU 73 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1xmo s ASP 74 N -2.56 4.19 0.57 1.62 -1.08 -0.72 -4.95 116.67 113.73 1xmo s ASP 74 Ca 0.00 -2.95 0.23 0.00 -0.52 0.00 0.00 52.55 49.32 1xmo s ASP 74 Cb 0.00 -1.52 1.28 0.00 -1.46 0.00 0.00 42.92 41.21 1xmo s ASP 74 CO 0.00 -0.24 1.69 1.55 0.52 0.00 0.00 175.17 178.69 1xmo h PRO 75 N 6.53 0.00 0.00 4.34 0.13 -1.70 -2.44 132.00 138.86 1xmo h PRO 75 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1xmo h PRO 75 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1xmo h PRO 75 CO 0.65 0.00 0.00 -1.91 -0.23 0.00 0.00 178.00 176.51 1xmo n GLU 76 N -2.64 0.00 -0.33 0.86 4.07 -1.26 -1.46 120.64 119.89 1xmo n GLU 76 Ca -0.02 0.45 0.27 0.00 -0.06 0.00 0.00 57.16 57.80 1xmo n GLU 76 Cb 0.40 -1.18 0.52 0.00 -0.06 0.00 0.00 31.44 31.12 1xmo n GLU 76 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1xmo h ARG 77 N 0.00 0.15 0.20 5.31 3.08 -1.84 0.18 114.38 121.45 1xmo h ARG 77 Ca 0.00 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1xmo h ARG 77 Cb 0.00 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 1xmo h ARG 77 CO 0.00 0.10 -0.14 -0.92 -1.07 0.00 0.00 179.97 177.94 1xmo h TYR 78 N 0.15 -0.37 0.00 3.04 3.20 -1.48 0.60 116.97 122.11 1xmo h TYR 78 Ca 0.78 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.65 1xmo h TYR 78 Cb 1.94 0.14 0.00 0.00 1.54 0.00 0.00 36.73 40.34 1xmo h TYR 78 CO -0.03 -0.20 0.54 0.00 -1.64 0.00 0.00 178.16 176.83 1xmo h ARG 79 N -0.32 0.00 0.00 1.82 3.08 0.42 -1.24 114.38 118.15 1xmo h ARG 79 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1xmo h ARG 79 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1xmo h ARG 79 CO 0.02 0.00 -0.10 0.00 -1.07 0.00 0.00 179.97 178.81 1xmo h ALA 80 N 0.73 0.00 -0.99 0.04 0.00 0.10 -3.26 119.26 115.88 1xmo h ALA 80 Ca 0.00 -0.16 0.35 0.00 0.00 0.00 0.00 54.91 55.11 1xmo h ALA 80 Cb 1.08 0.10 -0.18 0.00 0.00 0.00 0.00 17.79 18.79 1xmo h ALA 80 CO 0.00 0.10 0.32 1.28 0.00 0.00 0.00 179.25 180.95 1xmo n LEU 81 N -3.39 0.15 0.05 0.00 4.77 0.19 -1.05 117.00 117.72 1xmo n LEU 81 Ca -0.01 1.65 -0.02 0.00 -0.03 0.00 0.00 56.01 57.60 1xmo n LEU 81 Cb 0.05 -0.72 -0.01 0.00 -2.33 0.00 0.00 43.42 40.41 1xmo n LEU 81 CO 0.02 -1.78 0.46 0.40 -1.33 0.00 0.00 177.39 175.16 1xmo h ILE 82 N 0.00 0.00 -1.08 -0.08 2.04 -1.69 0.18 117.51 116.88 1xmo h ILE 82 Ca 0.74 -0.01 0.31 0.00 1.00 0.00 0.00 64.86 66.90 1xmo h ILE 82 Cb 1.80 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.77 1xmo h ILE 82 CO -0.83 0.00 0.67 -0.08 0.00 0.00 0.00 178.15 177.91 1xmo h GLU 83 N -0.14 0.34 -0.16 2.37 4.81 -1.41 0.22 114.58 120.63 1xmo h GLU 83 Ca -0.01 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1xmo h GLU 83 Cb 0.10 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1xmo h GLU 83 CO 0.02 0.23 0.01 -0.22 -0.73 0.00 0.00 179.01 178.32 1xmo h LYS 84 N 0.35 0.26 0.00 1.92 3.64 -0.99 -3.43 116.57 118.32 1xmo h LYS 84 Ca 0.68 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.98 1xmo h LYS 84 Cb 1.70 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.49 1xmo h LYS 84 CO -0.42 0.46 0.00 1.28 -2.27 0.00 0.00 179.45 178.50 1xmo n LEU 85 N -4.77 0.00 -3.02 5.20 4.77 0.78 -5.05 117.00 114.91 1xmo n LEU 85 Ca -0.05 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.78 1xmo n LEU 85 Cb 0.20 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.30 1xmo n LEU 85 CO 0.36 0.00 -0.03 0.61 -1.33 0.00 0.00 177.39 177.00 1xmo n GLY 86 N 5.00 2.35 3.66 -0.72 0.00 -1.21 -4.96 105.19 109.31 1xmo n GLY 86 Ca 0.00 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 1xmo n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xmo s ILE 87 N -1.24 1.23 -1.34 -0.61 1.01 -1.26 -4.71 121.20 114.28 1xmo s ILE 87 Ca 0.33 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.98 1xmo s ILE 87 Cb 0.30 -2.41 0.00 0.00 0.01 0.00 0.00 42.46 40.36 1xmo s ILE 87 CO -0.08 0.00 0.00 0.54 0.00 0.00 0.00 174.94 175.40 1xmo n ARG 88 N -1.10 -1.15 0.00 2.79 5.12 -1.26 -4.79 116.66 116.27 1xmo n ARG 88 Ca -0.13 0.92 0.00 0.00 -1.93 0.00 0.00 57.85 56.71 1xmo n ARG 88 Cb 0.67 -5.07 0.00 0.00 -1.16 0.00 0.00 32.46 26.90 1xmo n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11