#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mr8 s ILE 3 N 0.00 2.10 0.05 0.52 -4.36 -1.26 -4.92 121.20 113.33 3mr8 s ILE 3 Ca 0.00 0.05 -0.31 0.00 -0.26 0.00 0.00 60.65 60.14 3mr8 s ILE 3 Cb 0.00 -3.03 -0.07 0.00 1.25 0.00 0.00 42.46 40.60 3mr8 s ILE 3 CO 0.00 0.00 1.52 0.42 0.24 0.00 0.00 174.94 177.12 3mr8 s THR 4 N 1.26 3.30 0.57 8.37 -4.23 -1.26 -4.87 115.64 118.78 3mr8 s THR 4 Ca 0.75 0.78 0.29 0.00 -1.18 0.00 0.00 61.69 62.32 3mr8 s THR 4 Cb -0.49 -3.50 0.41 0.00 1.34 0.00 0.00 72.50 70.26 3mr8 s THR 4 CO 0.32 0.01 1.90 0.07 -0.54 0.00 0.00 174.62 176.39 3mr8 h LYS 5 N 7.84 0.00 0.50 3.99 -0.00 -1.99 -2.16 116.57 124.75 3mr8 h LYS 5 Ca -0.41 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.22 3mr8 h LYS 5 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.43 3mr8 h LYS 5 CO 0.91 0.00 -0.24 1.49 -0.00 0.00 0.00 179.45 181.61 3mr8 h GLU 6 N 0.00 -0.65 0.00 0.07 4.81 -2.01 -2.84 114.58 113.96 3mr8 h GLU 6 Ca 0.27 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.52 3mr8 h GLU 6 Cb 1.28 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.81 3mr8 h GLU 6 CO -0.00 -0.43 -0.11 1.49 -0.73 0.00 0.00 179.01 179.22 3mr8 h GLU 7 N -0.72 0.00 -0.73 1.92 4.81 -1.86 -0.83 114.58 117.17 3mr8 h GLU 7 Ca -0.07 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.24 3mr8 h GLU 7 Cb 0.52 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.83 3mr8 h GLU 7 CO 0.11 0.11 0.39 -0.22 -0.73 0.00 0.00 179.01 178.68 3mr8 h LYS 8 N 0.00 0.67 -0.03 1.92 3.64 -1.33 0.70 116.57 122.14 3mr8 h LYS 8 Ca -0.00 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.16 3mr8 h LYS 8 Cb 0.31 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 3mr8 h LYS 8 CO 0.01 0.44 -0.77 1.96 -2.27 0.00 0.00 179.45 178.82 3mr8 h GLN 9 N 0.69 0.25 -0.83 1.90 1.08 -0.96 -3.10 115.11 114.14 3mr8 h GLN 9 Ca 0.35 -0.22 0.02 0.00 -1.45 0.00 0.00 58.65 57.35 3mr8 h GLN 9 Cb 0.31 0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.74 3mr8 h GLN 9 CO -0.23 0.90 0.54 -0.22 -0.95 0.00 0.00 178.83 178.86 3mr8 h LYS 10 N 0.16 1.04 -0.00 1.46 3.64 0.09 -1.16 116.57 121.79 3mr8 h LYS 10 Ca -0.03 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.15 3mr8 h LYS 10 Cb 1.35 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 3mr8 h LYS 10 CO 0.12 0.69 -0.65 0.28 -2.27 0.00 0.00 179.45 177.62 3mr8 h VAL 11 N 1.07 1.46 -0.46 2.00 2.07 -1.00 -0.90 116.25 120.50 3mr8 h VAL 11 Ca 0.32 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 65.62 3mr8 h VAL 11 Cb -0.05 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 3mr8 h VAL 11 CO -0.09 0.63 0.29 0.40 0.02 0.00 0.00 177.57 178.82 3mr8 h ILE 12 N 0.01 1.13 -0.46 4.57 2.04 -1.22 0.27 117.51 123.86 3mr8 h ILE 12 Ca -0.01 -0.27 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 3mr8 h ILE 12 Cb 1.15 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 3mr8 h ILE 12 CO 0.09 0.13 0.06 1.56 0.00 0.00 0.00 178.15 179.99 3mr8 h GLN 13 N 0.61 0.77 0.00 2.37 1.08 -1.11 -2.62 115.11 116.20 3mr8 h GLN 13 Ca 0.16 -0.21 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 3mr8 h GLN 13 Cb -0.03 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.31 3mr8 h GLN 13 CO -0.03 0.79 -0.02 0.93 -0.95 0.00 0.00 178.83 179.55 3mr8 h GLU 14 N 0.63 0.00 -3.11 1.46 4.39 -0.60 -3.37 114.58 113.98 3mr8 h GLU 14 Ca 0.14 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.28 3mr8 h GLU 14 Cb 0.40 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.65 3mr8 h GLU 14 CO 0.01 0.02 -0.77 -0.06 -1.16 0.00 0.00 179.01 177.05 3mr8 s PHE 15 N -4.06 0.93 0.01 4.33 0.40 0.91 -5.05 117.98 115.44 3mr8 s PHE 15 Ca -0.03 -1.27 -0.03 0.00 -0.60 0.00 0.00 56.93 55.00 3mr8 s PHE 15 Cb 0.12 -1.25 0.01 0.00 0.51 0.00 0.00 43.02 42.41 3mr8 s PHE 15 CO 0.48 -0.85 0.15 0.00 0.70 0.00 0.00 175.22 175.70 3mr8 n ALA 16 N 5.04 -0.42 -0.78 5.36 0.00 -1.24 -4.38 120.51 124.09 3mr8 n ALA 16 Ca -0.04 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3mr8 n ALA 16 Cb 0.42 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.90 3mr8 n ALA 16 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3mr8 n ARG 17 N -0.11 -0.17 -3.60 0.00 0.00 -1.26 -5.08 116.66 106.44 3mr8 n ARG 17 Ca 0.00 -0.14 -0.07 0.00 -0.00 0.00 0.00 57.85 57.64 3mr8 n ARG 17 Cb 0.07 -0.61 -0.05 0.00 -0.00 0.00 0.00 32.46 31.88 3mr8 n ARG 17 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.63 177.04 3mr8 s PHE 18 N -0.01 -0.24 0.28 2.89 -0.12 -1.26 -5.14 117.98 114.38 3mr8 s PHE 18 Ca 0.00 0.40 -0.28 0.00 -0.05 0.00 0.00 56.93 57.00 3mr8 s PHE 18 Cb 0.00 0.47 -0.14 0.00 -0.63 0.00 0.00 43.02 42.71 3mr8 s PHE 18 CO 0.00 -0.22 0.90 -2.30 -0.05 0.00 0.00 175.22 173.55 3mr8 n PRO 19 N 0.63 1.08 0.00 1.99 -0.02 -1.26 -3.57 135.00 133.85 3mr8 n PRO 19 Ca -0.06 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 3mr8 n PRO 19 Cb 0.58 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 3mr8 n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mr8 n GLY 20 N 1.38 1.56 4.13 -1.23 0.00 -1.26 -4.93 105.19 104.83 3mr8 n GLY 20 Ca 0.11 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 3mr8 n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3mr8 n ASP 21 N 4.52 -0.22 -1.73 1.61 4.64 -1.23 -4.77 116.55 119.36 3mr8 n ASP 21 Ca 0.00 -1.11 -0.05 0.00 -1.38 0.00 0.00 54.79 52.25 3mr8 n ASP 21 Cb 0.00 -2.47 -0.07 0.00 -1.04 0.00 0.00 41.12 37.53 3mr8 n ASP 21 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 3mr8 n THR 22 N -4.45 2.36 0.00 5.18 -2.24 -1.26 -4.52 114.28 109.35 3mr8 n THR 22 Ca -0.26 -0.91 0.00 0.00 -2.27 0.00 0.00 64.05 60.61 3mr8 n THR 22 Cb 0.66 -1.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.19 3mr8 n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mr8 n GLY 23 N 1.95 0.90 3.46 3.38 0.00 -1.26 -5.09 105.19 108.53 3mr8 n GLY 23 Ca 0.18 0.51 -0.13 0.00 0.00 0.00 0.00 46.02 46.58 3mr8 n GLY 23 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3mr8 s SER 24 N 0.00 -0.58 0.29 1.61 0.15 -1.26 -4.98 113.70 108.93 3mr8 s SER 24 Ca 0.00 0.22 0.04 0.00 0.70 0.00 0.00 55.95 56.90 3mr8 s SER 24 Cb 0.00 0.56 0.67 0.00 -1.71 0.00 0.00 66.02 65.54 3mr8 s SER 24 CO 0.00 -0.83 1.78 0.71 1.20 0.00 0.00 173.24 176.10 3mr8 h THR 25 N 2.30 0.73 0.06 6.45 1.35 -1.98 0.89 112.91 122.71 3mr8 h THR 25 Ca -0.31 -0.26 -0.00 0.00 -0.55 0.00 0.00 66.41 65.29 3mr8 h THR 25 Cb 1.25 -0.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 3mr8 h THR 25 CO 0.38 0.14 -0.03 -0.33 -0.25 0.00 0.00 175.52 175.42 3mr8 h GLU 26 N 0.75 -0.08 0.05 4.72 4.39 -1.95 -2.64 114.58 119.82 3mr8 h GLU 26 Ca 0.54 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.25 3mr8 h GLU 26 Cb 0.80 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 3mr8 h GLU 26 CO -0.37 0.14 -0.02 0.28 -1.16 0.00 0.00 179.01 177.87 3mr8 h VAL 27 N -0.29 1.17 -0.42 3.13 2.07 -1.29 -2.96 116.25 117.67 3mr8 h VAL 27 Ca -0.01 -0.75 0.02 0.00 0.82 0.00 0.00 66.70 66.79 3mr8 h VAL 27 Cb 0.25 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 3mr8 h VAL 27 CO 0.01 0.19 0.24 1.56 0.02 0.00 0.00 177.57 179.59 3mr8 h GLN 28 N -0.40 0.47 0.13 1.57 4.20 0.65 0.26 115.11 121.99 3mr8 h GLN 28 Ca -0.01 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.69 3mr8 h GLN 28 Cb 0.36 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 3mr8 h GLN 28 CO 0.01 0.31 -0.25 0.28 -0.67 0.00 0.00 178.83 178.52 3mr8 h VAL 29 N 0.49 0.46 -0.59 -0.54 2.07 -1.53 0.61 116.25 117.21 3mr8 h VAL 29 Ca 0.17 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.75 3mr8 h VAL 29 Cb 0.03 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 3mr8 h VAL 29 CO -0.09 0.00 0.31 0.00 0.02 0.00 0.00 177.57 177.81 3mr8 h ALA 30 N 0.29 0.77 0.01 1.67 0.00 -1.31 0.20 119.26 120.89 3mr8 h ALA 30 Ca 0.03 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3mr8 h ALA 30 Cb 0.48 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3mr8 h ALA 30 CO -0.13 -0.04 -0.11 1.25 0.00 0.00 0.00 179.25 180.22 3mr8 h LEU 31 N 0.58 -0.32 -0.88 0.00 5.85 0.21 -2.20 115.31 118.54 3mr8 h LEU 31 Ca 0.26 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 59.00 3mr8 h LEU 31 Cb 0.18 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 3mr8 h LEU 31 CO -0.18 -0.16 0.42 -0.07 -0.34 0.00 0.00 178.44 178.11 3mr8 h LEU 32 N -0.19 1.11 -0.95 2.25 3.38 0.60 -2.98 115.31 118.53 3mr8 h LEU 32 Ca 0.04 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 57.92 3mr8 h LEU 32 Cb 0.24 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 3mr8 h LEU 32 CO -0.11 0.93 0.62 0.74 0.09 0.00 0.00 178.44 180.70 3mr8 h THR 33 N 1.22 1.15 -0.16 0.22 2.02 -0.10 0.93 112.91 118.19 3mr8 h THR 33 Ca 0.30 -0.41 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 3mr8 h THR 33 Cb 0.10 -0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.37 3mr8 h THR 33 CO -0.04 0.22 -0.06 0.25 0.37 0.00 0.00 175.52 176.26 3mr8 h LEU 34 N 1.18 0.33 -1.21 2.58 5.85 -1.26 -1.93 115.31 120.85 3mr8 h LEU 34 Ca 0.38 -0.39 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 3mr8 h LEU 34 Cb 0.03 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3mr8 h LEU 34 CO -0.13 0.65 -0.36 -0.09 -0.34 0.00 0.00 178.44 178.16 3mr8 h ARG 35 N 0.00 0.00 -0.47 1.25 2.43 -1.44 -1.62 114.38 114.53 3mr8 h ARG 35 Ca 0.04 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 3mr8 h ARG 35 Cb 0.52 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 3mr8 h ARG 35 CO 0.02 0.36 0.10 0.82 -1.51 0.00 0.00 179.97 179.77 3mr8 h ILE 36 N 0.00 1.24 -0.04 1.20 2.04 -0.65 -0.58 117.51 120.72 3mr8 h ILE 36 Ca -0.00 -0.85 -0.18 0.00 1.00 0.00 0.00 64.86 64.83 3mr8 h ILE 36 Cb 0.72 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 3mr8 h ILE 36 CO 0.05 0.30 -0.76 0.78 0.00 0.00 0.00 178.15 178.52 3mr8 h ASN 37 N 0.64 0.31 -0.18 1.72 -0.26 -1.03 -0.12 115.58 116.65 3mr8 h ASN 37 Ca 0.15 -0.22 -0.06 0.00 -0.56 0.00 0.00 56.30 55.61 3mr8 h ASN 37 Cb 0.34 -0.09 -0.00 0.00 -1.06 0.00 0.00 38.32 37.51 3mr8 h ASN 37 CO 0.00 0.96 -0.11 0.03 -1.06 0.00 0.00 177.43 177.26 3mr8 h ARG 38 N 0.17 0.39 -0.57 0.81 3.08 -1.28 -1.15 114.38 115.82 3mr8 h ARG 38 Ca -0.03 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 59.82 3mr8 h ARG 38 Cb 1.34 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.36 3mr8 h ARG 38 CO 0.12 0.71 0.29 1.25 -1.07 0.00 0.00 179.97 181.26 3mr8 h LEU 39 N 0.07 0.74 -0.40 3.04 7.12 -1.09 -1.77 115.31 123.02 3mr8 h LEU 39 Ca 0.04 -0.12 0.02 0.00 0.13 0.00 0.00 57.88 57.95 3mr8 h LEU 39 Cb 0.60 -0.19 -0.03 0.00 -0.53 0.00 0.00 40.66 40.51 3mr8 h LEU 39 CO 0.03 0.65 0.22 -1.28 -0.13 0.00 0.00 178.44 177.93 3mr8 h SER 40 N 0.77 0.35 -0.89 1.25 0.87 -1.00 -1.99 113.55 112.92 3mr8 h SER 40 Ca 0.20 0.01 0.07 0.00 -1.23 0.00 0.00 61.79 60.84 3mr8 h SER 40 Cb 0.10 -0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 61.94 3mr8 h SER 40 CO -0.03 0.25 0.58 -0.08 -0.53 0.00 0.00 176.83 177.02 3mr8 h GLU 41 N 0.45 0.96 0.00 2.24 4.57 -0.83 0.19 114.58 122.15 3mr8 h GLU 41 Ca 0.16 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 3mr8 h GLU 41 Cb 0.03 -0.22 -0.00 0.00 -0.16 0.00 0.00 28.75 28.40 3mr8 h GLU 41 CO -0.09 0.63 -0.03 1.25 -1.18 0.00 0.00 179.01 179.60 3mr8 h HIS 42 N 0.98 0.00 0.00 0.92 2.76 -0.59 -2.18 115.15 117.05 3mr8 h HIS 42 Ca 0.39 0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 58.35 3mr8 h HIS 42 Cb 0.24 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.17 3mr8 h HIS 42 CO -0.00 0.03 -0.99 -0.07 -1.30 0.00 0.00 177.93 175.60 3mr8 h LEU 43 N 0.00 0.00 -2.37 0.26 3.38 -0.27 -0.41 115.31 115.91 3mr8 h LEU 43 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3mr8 h LEU 43 Cb 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3mr8 h LEU 43 CO 0.00 0.96 0.20 0.11 0.09 0.00 0.00 178.44 179.80 3mr8 h LYS 44 N 0.00 0.00 0.00 1.13 6.56 -0.68 -2.88 116.57 120.71 3mr8 h LYS 44 Ca -0.02 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.45 3mr8 h LYS 44 Cb 1.75 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 33.39 3mr8 h LYS 44 CO 0.12 0.00 -1.45 1.33 -2.06 0.00 0.00 179.45 177.39 3mr8 n VAL 45 N -3.28 0.45 -2.91 0.50 0.24 -1.23 -4.82 118.33 107.28 3mr8 n VAL 45 Ca -0.01 -0.16 -0.44 0.00 -2.04 0.00 0.00 64.34 61.69 3mr8 n VAL 45 Cb 0.28 -0.90 -0.00 0.00 -1.47 0.00 0.00 33.84 31.75 3mr8 n VAL 45 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3mr8 s HIS 46 N -2.16 3.40 -2.05 6.34 3.76 -0.16 -4.78 115.29 119.65 3mr8 s HIS 46 Ca -0.11 -2.03 0.31 0.00 -0.15 0.00 0.00 55.06 53.09 3mr8 s HIS 46 Cb 0.03 -4.35 1.66 0.00 1.11 0.00 0.00 32.58 31.02 3mr8 s HIS 46 CO 0.18 -1.44 2.09 1.63 -0.85 0.00 0.00 174.74 176.35 3mr8 n LYS 47 N 5.97 1.08 -0.07 1.40 5.02 -1.19 -3.71 118.16 126.66 3mr8 n LYS 47 Ca 0.37 -0.22 -0.06 0.00 -2.02 0.00 0.00 58.31 56.38 3mr8 n LYS 47 Cb 0.44 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.80 3mr8 n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3mr8 n LYS 48 N -0.77 0.67 -1.90 1.97 4.76 -1.26 -4.74 118.16 116.89 3mr8 n LYS 48 Ca 0.22 0.03 -0.34 0.00 -2.87 0.00 0.00 58.31 55.35 3mr8 n LYS 48 Cb 0.18 -1.59 -0.05 0.00 -1.84 0.00 0.00 35.03 31.73 3mr8 n LYS 48 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3mr8 n ASP 49 N -2.74 3.20 0.18 4.39 -0.08 -1.24 -4.69 116.55 115.57 3mr8 n ASP 49 Ca -0.25 -2.73 0.04 0.00 -1.51 0.00 0.00 54.79 50.35 3mr8 n ASP 49 Cb 1.04 -1.59 0.34 0.00 2.34 0.00 0.00 41.12 43.25 3mr8 n ASP 49 CO 0.00 0.00 0.00 0.45 0.12 0.00 0.00 177.20 177.77 3mr8 h HIS 50 N 8.88 0.00 -0.81 -0.67 3.86 -1.90 -2.98 115.15 121.52 3mr8 h HIS 50 Ca 0.31 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.52 3mr8 h HIS 50 Cb 0.85 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.28 3mr8 h HIS 50 CO 1.25 0.41 0.50 0.45 0.86 0.00 0.00 177.93 181.40 3mr8 h HIS 51 N 0.00 1.05 -0.20 2.45 3.86 -2.00 -0.20 115.15 120.11 3mr8 h HIS 51 Ca -0.00 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.10 3mr8 h HIS 51 Cb 0.85 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 3mr8 h HIS 51 CO 0.00 0.69 -0.36 0.77 0.86 0.00 0.00 177.93 179.89 3mr8 h SER 52 N 1.11 0.46 0.24 2.45 0.02 -1.94 -2.36 113.55 113.53 3mr8 h SER 52 Ca 0.29 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 3mr8 h SER 52 Cb -0.07 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.34 3mr8 h SER 52 CO -0.06 0.79 -0.11 -0.74 -1.14 0.00 0.00 176.83 175.57 3mr8 h HIS 53 N 0.37 0.00 -0.23 3.45 6.17 -1.11 0.12 115.15 123.93 3mr8 h HIS 53 Ca 0.04 0.00 -0.10 0.00 0.71 0.00 0.00 60.37 61.02 3mr8 h HIS 53 Cb 0.81 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 30.74 3mr8 h HIS 53 CO 0.03 0.11 -0.26 -0.09 0.71 0.00 0.00 177.93 178.42 3mr8 h ARG 54 N 0.00 0.58 -0.16 5.26 1.12 -0.53 -2.68 114.38 117.97 3mr8 h ARG 54 Ca -0.00 -0.32 -0.15 0.00 -1.11 0.00 0.00 59.98 58.40 3mr8 h ARG 54 Cb 0.27 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.24 3mr8 h ARG 54 CO 0.01 0.92 -0.52 0.78 -3.11 0.00 0.00 179.97 178.05 3mr8 h GLY 55 N 0.27 0.48 0.60 2.80 0.00 -1.33 -3.17 103.07 102.72 3mr8 h GLY 55 Ca 0.03 -0.54 0.05 0.00 0.00 0.00 0.00 47.33 46.86 3mr8 h GLY 55 CO 0.06 0.49 0.02 -2.00 0.00 0.00 0.00 176.54 175.11 3mr8 h LEU 56 N 0.35 -0.07 -1.56 3.11 5.85 -0.91 0.09 115.31 122.17 3mr8 h LEU 56 Ca 0.01 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.85 3mr8 h LEU 56 Cb 1.03 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 3mr8 h LEU 56 CO 0.09 -0.00 0.39 -0.07 -0.34 0.00 0.00 178.44 178.51 3mr8 h LEU 57 N 0.11 0.47 0.14 2.25 3.38 -1.48 -0.98 115.31 119.20 3mr8 h LEU 57 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3mr8 h LEU 57 Cb 0.17 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3mr8 h LEU 57 CO -0.21 0.30 -0.07 0.24 0.09 0.00 0.00 178.44 178.80 3mr8 h MET 58 N 0.54 -0.19 -0.58 1.13 2.86 -1.06 -0.70 114.93 116.93 3mr8 h MET 58 Ca 0.26 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.95 3mr8 h MET 58 Cb 0.32 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.98 3mr8 h MET 58 CO -0.07 0.14 0.32 0.52 1.06 0.00 0.00 176.91 178.88 3mr8 h MET 59 N -0.53 0.60 -0.19 1.72 2.86 -0.43 0.43 114.93 119.37 3mr8 h MET 59 Ca -0.02 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 3mr8 h MET 59 Cb 0.42 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 3mr8 h MET 59 CO 0.03 0.39 -0.15 0.28 1.06 0.00 0.00 176.91 178.53 3mr8 h VAL 60 N 0.61 1.21 0.22 -2.22 2.07 -1.23 -1.04 116.25 115.87 3mr8 h VAL 60 Ca 0.25 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 3mr8 h VAL 60 Cb 0.12 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3mr8 h VAL 60 CO -0.15 0.29 -0.11 1.23 0.02 0.00 0.00 177.57 178.85 3mr8 h GLY 61 N 0.85 -0.31 1.39 2.17 0.00 0.62 -2.03 103.07 105.75 3mr8 h GLY 61 Ca 0.06 0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.48 3mr8 h GLY 61 CO 0.03 -0.11 0.26 -1.61 0.00 0.00 0.00 176.54 175.11 3mr8 h GLN 62 N -0.32 0.79 -0.93 4.80 5.75 -0.92 -0.63 115.11 123.66 3mr8 h GLN 62 Ca -0.03 -0.10 0.19 0.00 -0.15 0.00 0.00 58.65 58.55 3mr8 h GLN 62 Cb 0.25 -0.15 -0.08 0.00 1.07 0.00 0.00 27.48 28.57 3mr8 h GLN 62 CO 0.05 0.62 0.60 -0.09 -2.65 0.00 0.00 178.83 177.36 3mr8 h ARG 63 N 0.79 0.55 -0.19 1.69 2.43 -0.72 0.11 114.38 119.05 3mr8 h ARG 63 Ca 0.20 -0.03 -0.21 0.00 -0.81 0.00 0.00 59.98 59.13 3mr8 h ARG 63 Cb 0.10 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 29.53 3mr8 h ARG 63 CO -0.02 0.36 -0.70 -0.09 -1.51 0.00 0.00 179.97 178.01 3mr8 h ARG 64 N 0.57 0.78 -0.65 0.20 2.43 -0.43 -3.10 114.38 114.17 3mr8 h ARG 64 Ca 0.49 -0.58 0.06 0.00 -0.81 0.00 0.00 59.98 59.14 3mr8 h ARG 64 Cb 1.00 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.59 3mr8 h ARG 64 CO -0.23 1.20 0.35 0.00 -1.51 0.00 0.00 179.97 179.78 3mr8 h ARG 65 N 0.55 0.63 -0.32 0.20 -0.00 -0.24 0.11 114.38 115.32 3mr8 h ARG 65 Ca -0.03 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.98 59.34 3mr8 h ARG 65 Cb 1.31 -0.14 -0.01 0.00 0.00 0.00 0.00 29.97 31.13 3mr8 h ARG 65 CO 0.14 0.42 -0.07 -0.07 0.00 0.00 0.00 179.97 180.39 3mr8 h LEU 66 N 0.65 0.61 -1.08 3.04 4.07 -1.42 -2.49 115.31 118.69 3mr8 h LEU 66 Ca 0.29 -0.36 -0.05 0.00 0.08 0.00 0.00 57.88 57.84 3mr8 h LEU 66 Cb 0.20 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.75 3mr8 h LEU 66 CO -0.19 0.83 0.09 -0.07 -1.08 0.00 0.00 178.44 178.02 3mr8 h LEU 67 N 0.39 0.69 -0.04 1.67 3.38 -1.40 0.38 115.31 120.38 3mr8 h LEU 67 Ca 0.08 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.95 3mr8 h LEU 67 Cb 0.56 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 3mr8 h LEU 67 CO 0.03 0.70 -0.12 0.03 0.09 0.00 0.00 178.44 179.18 3mr8 h ARG 68 N 0.71 -0.18 -0.49 1.13 2.47 -0.84 0.21 114.38 117.39 3mr8 h ARG 68 Ca 0.16 0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 58.84 3mr8 h ARG 68 Cb 0.31 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.65 3mr8 h ARG 68 CO 0.00 -0.12 0.12 -0.92 0.56 0.00 0.00 179.97 179.61 3mr8 h TYR 69 N -0.18 0.84 -0.34 3.04 3.20 -0.96 -0.91 116.97 121.65 3mr8 h TYR 69 Ca 0.06 -0.10 -0.02 0.00 3.14 0.00 0.00 58.73 61.81 3mr8 h TYR 69 Cb 0.26 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 3mr8 h TYR 69 CO -0.20 0.75 0.15 1.25 -1.64 0.00 0.00 178.16 178.47 3mr8 h LEU 70 N 0.68 0.45 -0.70 2.82 5.85 0.04 0.14 115.31 124.59 3mr8 h LEU 70 Ca 0.15 -0.15 -0.14 0.00 0.84 0.00 0.00 57.88 58.59 3mr8 h LEU 70 Cb 0.34 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3mr8 h LEU 70 CO 0.00 0.47 -0.60 -0.61 -0.34 0.00 0.00 178.44 177.36 3mr8 h GLN 71 N 0.40 0.16 0.00 1.25 4.15 -0.57 0.21 115.11 120.71 3mr8 h GLN 71 Ca 0.11 -0.11 -0.10 0.00 0.77 0.00 0.00 58.65 59.32 3mr8 h GLN 71 Cb 0.15 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 3mr8 h GLN 71 CO -0.01 0.72 -0.49 -0.09 -1.93 0.00 0.00 178.83 177.03 3mr8 h ARG 72 N 0.12 0.00 0.00 1.69 2.43 -0.93 -3.31 114.38 114.38 3mr8 h ARG 72 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3mr8 h ARG 72 Cb 1.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 3mr8 h ARG 72 CO 0.09 0.49 -0.15 1.49 -1.51 0.00 0.00 179.97 180.38 3mr8 h GLU 73 N 0.00 0.00 -3.93 0.20 4.57 -0.55 -3.47 114.58 111.40 3mr8 h GLU 73 Ca -0.00 0.00 -0.60 0.00 -1.18 0.00 0.00 59.36 57.58 3mr8 h GLU 73 Cb 1.20 0.00 -0.40 0.00 -0.16 0.00 0.00 28.75 29.39 3mr8 h GLU 73 CO 0.06 0.00 -0.75 0.34 -1.18 0.00 0.00 179.01 177.48 3mr8 s ASP 74 N -4.16 4.10 0.40 1.04 3.68 0.72 -4.98 116.67 117.47 3mr8 s ASP 74 Ca -0.04 -1.64 0.28 0.00 2.13 0.00 0.00 52.55 53.28 3mr8 s ASP 74 Cb 0.01 -1.07 1.09 0.00 -1.45 0.00 0.00 42.92 41.50 3mr8 s ASP 74 CO 0.06 -0.37 1.83 1.55 0.13 0.00 0.00 175.17 178.37 3mr8 h PRO 75 N 7.97 0.00 0.17 4.34 0.13 -1.68 -3.10 132.00 139.83 3mr8 h PRO 75 Ca -0.12 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.00 3mr8 h PRO 75 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3mr8 h PRO 75 CO 0.47 0.00 -0.08 1.49 -0.23 0.00 0.00 178.00 179.64 3mr8 h GLU 76 N 0.00 -0.22 0.00 0.86 4.57 -1.92 -2.74 114.58 115.13 3mr8 h GLU 76 Ca 0.00 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3mr8 h GLU 76 Cb 0.51 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.16 3mr8 h GLU 76 CO 0.00 0.17 -0.01 0.07 -1.18 0.00 0.00 179.01 178.07 3mr8 h ARG 77 N -0.70 0.00 -0.18 1.92 0.11 -1.93 -3.05 114.38 110.55 3mr8 h ARG 77 Ca -0.02 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.04 3mr8 h ARG 77 Cb 0.50 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.57 3mr8 h ARG 77 CO 0.04 0.01 0.05 -0.92 0.10 0.00 0.00 179.97 179.25 3mr8 h TYR 78 N 0.00 0.29 -0.37 4.08 3.20 -1.57 0.18 116.97 122.78 3mr8 h TYR 78 Ca -0.00 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.88 3mr8 h TYR 78 Cb 0.88 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.05 3mr8 h TYR 78 CO 0.00 0.39 0.25 -0.09 -1.64 0.00 0.00 178.16 177.07 3mr8 h ARG 79 N 0.11 0.31 0.03 1.82 9.65 -1.40 -1.70 114.38 123.20 3mr8 h ARG 79 Ca 0.06 -0.02 -0.18 0.00 -1.10 0.00 0.00 59.98 58.74 3mr8 h ARG 79 Cb 0.24 -0.07 0.02 0.00 -1.39 0.00 0.00 29.97 28.77 3mr8 h ARG 79 CO -0.00 0.20 -0.73 0.00 2.80 0.00 0.00 179.97 182.24 3mr8 h ALA 80 N 1.80 0.04 -0.30 2.80 0.00 -1.37 -3.25 119.26 118.99 3mr8 h ALA 80 Ca 0.16 -0.62 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 3mr8 h ALA 80 Cb 0.23 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3mr8 h ALA 80 CO -0.03 0.41 -0.13 1.25 0.00 0.00 0.00 179.25 180.75 3mr8 h LEU 81 N -0.07 0.49 -0.49 0.00 5.85 -0.11 -2.58 115.31 118.41 3mr8 h LEU 81 Ca -0.10 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.41 3mr8 h LEU 81 Cb 1.46 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 3mr8 h LEU 81 CO 0.14 0.65 -0.02 -0.29 -0.34 0.00 0.00 178.44 178.59 3mr8 h ILE 82 N 0.47 1.26 -0.41 4.05 -0.00 -1.44 -2.74 117.51 118.70 3mr8 h ILE 82 Ca 0.09 -1.10 -0.07 0.00 -0.00 0.00 0.00 64.86 63.77 3mr8 h ILE 82 Cb 0.51 1.00 -0.02 0.00 -0.00 0.00 0.00 36.82 38.31 3mr8 h ILE 82 CO 0.03 0.38 -0.03 -0.08 -0.00 0.00 0.00 178.15 178.46 3mr8 h GLU 83 N 0.73 0.68 0.00 2.19 4.81 -1.53 0.46 114.58 121.92 3mr8 h GLU 83 Ca 0.14 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3mr8 h GLU 83 Cb 0.54 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.84 3mr8 h GLU 83 CO 0.03 0.72 0.00 1.63 -0.73 0.00 0.00 179.01 180.65 3mr8 n LYS 84 N -4.22 0.17 -0.00 1.92 5.02 -0.99 -3.56 118.16 116.49 3mr8 n LYS 84 Ca 0.02 0.24 0.02 0.00 -2.02 0.00 0.00 58.31 56.57 3mr8 n LYS 84 Cb 0.29 -1.74 -0.03 0.00 -0.02 0.00 0.00 35.03 33.54 3mr8 n LYS 84 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3mr8 n LEU 85 N -2.04 0.00 -2.39 -0.35 4.77 -0.98 -5.09 117.00 110.93 3mr8 n LEU 85 Ca 0.05 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.98 3mr8 n LEU 85 Cb 0.33 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.43 3mr8 n LEU 85 CO 0.25 0.00 -0.02 0.61 -1.33 0.00 0.00 177.39 176.90 3mr8 n GLY 86 N 2.32 -1.52 0.35 -0.72 0.00 0.16 -5.09 105.19 100.69 3mr8 n GLY 86 Ca -0.01 0.72 -0.01 0.00 0.00 0.00 0.00 46.02 46.72 3mr8 n GLY 86 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3mr8 n ILE 87 N -0.24 0.00 -2.85 -0.61 -5.35 -1.22 -5.02 119.36 104.07 3mr8 n ILE 87 Ca 0.07 -0.18 -0.07 0.00 -0.27 0.00 0.00 62.75 62.30 3mr8 n ILE 87 Cb 0.26 0.11 0.03 0.00 -1.74 0.00 0.00 39.64 38.31 3mr8 n ILE 87 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3mr8 n ARG 88 N -0.06 -1.52 0.00 6.28 5.12 -1.26 -4.94 116.66 120.27 3mr8 n ARG 88 Ca -0.00 0.94 0.13 0.00 -1.93 0.00 0.00 57.85 56.98 3mr8 n ARG 88 Cb 0.06 -4.97 0.28 0.00 -1.16 0.00 0.00 32.46 26.67 3mr8 n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11