#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bc8 n ASP 2 N 0.00 0.69 -4.75 6.12 5.75 -1.26 -5.07 116.55 118.03 1bc8 n ASP 2 Ca 0.00 -1.54 -0.40 0.00 -0.01 0.00 0.00 54.79 52.84 1bc8 n ASP 2 Cb 0.00 -0.23 -0.05 0.00 -1.03 0.00 0.00 41.12 39.81 1bc8 n ASP 2 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1bc8 s SER 3 N -2.61 7.32 0.00 -1.12 0.15 -1.24 -4.92 113.70 111.29 1bc8 s SER 3 Ca 0.27 1.58 0.15 0.00 0.70 0.00 0.00 55.95 58.64 1bc8 s SER 3 Cb -0.02 -2.50 0.85 0.00 -1.71 0.00 0.00 66.02 62.64 1bc8 s SER 3 CO 0.17 0.04 1.55 0.00 1.20 0.00 0.00 173.24 176.20 1bc8 n ALA 4 N 2.53 2.58 -1.71 5.45 0.00 -1.26 -4.89 120.51 123.22 1bc8 n ALA 4 Ca -0.02 -0.12 -0.41 0.00 0.00 0.00 0.00 53.44 52.88 1bc8 n ALA 4 Cb 0.50 -1.22 0.01 0.00 0.00 0.00 0.00 19.45 18.73 1bc8 n ALA 4 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1bc8 n ILE 5 N -0.65 2.43 -2.60 0.00 0.13 -1.26 -5.00 119.36 112.42 1bc8 n ILE 5 Ca 0.11 -0.50 -0.27 0.00 -1.10 0.00 0.00 62.75 61.00 1bc8 n ILE 5 Cb 0.07 -1.60 0.01 0.00 -0.84 0.00 0.00 39.64 37.28 1bc8 n ILE 5 CO 0.00 0.00 0.00 0.28 2.80 0.00 0.00 176.55 179.63 1bc8 s THR 6 N -1.17 4.42 0.14 9.51 -1.32 -1.26 -4.94 115.64 121.01 1bc8 s THR 6 Ca 0.59 0.06 -0.11 0.00 -1.21 0.00 0.00 61.69 61.03 1bc8 s THR 6 Cb -0.51 -3.70 -0.06 0.00 -1.51 0.00 0.00 72.50 66.72 1bc8 s THR 6 CO 0.59 -0.67 1.45 0.25 -2.21 0.00 0.00 174.62 174.03 1bc8 h LEU 7 N 0.11 1.00 -1.22 9.08 5.85 -1.99 -1.13 115.31 127.01 1bc8 h LEU 7 Ca -0.46 -0.48 -0.03 0.00 0.84 0.00 0.00 57.88 57.74 1bc8 h LEU 7 Cb 1.23 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 1bc8 h LEU 7 CO 0.61 1.29 -0.13 4.11 -0.34 0.00 0.00 178.44 183.97 1bc8 h TRP 8 N 0.74 0.00 0.11 1.25 5.08 -1.99 -1.56 115.95 119.57 1bc8 h TRP 8 Ca 0.05 0.00 -0.27 0.00 1.08 0.00 0.00 58.89 59.75 1bc8 h TRP 8 Cb 1.04 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 27.21 1bc8 h TRP 8 CO 0.07 0.13 -1.19 1.96 -1.28 0.00 0.00 178.44 178.13 1bc8 h GLN 9 N 0.00 0.30 -0.55 0.12 4.20 -1.90 -2.49 115.11 114.79 1bc8 h GLN 9 Ca -0.00 -0.47 -0.10 0.00 0.06 0.00 0.00 58.65 58.14 1bc8 h GLN 9 Cb 0.66 0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.59 1bc8 h GLN 9 CO 0.02 1.20 -0.05 0.35 -0.67 0.00 0.00 178.83 179.68 1bc8 h PHE 10 N 0.10 1.09 -0.43 2.96 3.57 -0.85 0.02 116.94 123.40 1bc8 h PHE 10 Ca -0.13 -0.20 -0.09 0.00 3.53 0.00 0.00 57.97 61.09 1bc8 h PHE 10 Cb 1.90 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 40.35 1bc8 h PHE 10 CO 0.06 0.99 -0.07 -0.07 -2.23 0.00 0.00 178.31 177.00 1bc8 h LEU 11 N 0.90 0.80 -1.42 0.59 3.38 -1.31 -2.01 115.31 116.23 1bc8 h LEU 11 Ca 0.15 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1bc8 h LEU 11 Cb 0.59 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1bc8 h LEU 11 CO 0.04 0.96 0.27 -0.07 0.09 0.00 0.00 178.44 179.73 1bc8 h LEU 12 N 0.63 0.59 -0.27 1.67 4.07 -1.15 -0.68 115.31 120.17 1bc8 h LEU 12 Ca 0.11 -0.03 -0.05 0.00 0.08 0.00 0.00 57.88 57.99 1bc8 h LEU 12 Cb 0.59 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.17 1bc8 h LEU 12 CO 0.04 0.47 -0.02 -0.61 -1.08 0.00 0.00 178.44 177.23 1bc8 h GLN 13 N 0.67 0.49 -0.60 1.13 4.15 -0.48 -2.74 115.11 117.73 1bc8 h GLN 13 Ca 0.18 -0.17 -0.06 0.00 0.77 0.00 0.00 58.65 59.37 1bc8 h GLN 13 Cb 0.01 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.63 1bc8 h GLN 13 CO -0.03 0.67 0.13 -0.07 -1.93 0.00 0.00 178.83 177.59 1bc8 h LEU 14 N 0.25 0.88 -0.39 -2.39 3.38 -0.92 -2.14 115.31 113.99 1bc8 h LEU 14 Ca 0.07 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1bc8 h LEU 14 Cb 0.47 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1bc8 h LEU 14 CO 0.02 0.87 0.00 0.18 0.09 0.00 0.00 178.44 179.60 1bc8 n LEU 15 N -4.25 0.30 0.09 1.67 4.32 -0.30 -2.46 117.00 116.37 1bc8 n LEU 15 Ca 0.04 0.58 0.11 0.00 -0.02 0.00 0.00 56.01 56.73 1bc8 n LEU 15 Cb 0.25 -0.56 -0.01 0.00 -1.62 0.00 0.00 43.42 41.48 1bc8 n LEU 15 CO 0.41 -0.46 -0.03 1.67 -1.22 0.00 0.00 177.39 177.77 1bc8 n GLN 16 N -1.84 0.60 -3.96 3.23 -0.06 -0.81 -4.86 117.38 109.67 1bc8 n GLN 16 Ca 0.02 0.10 -0.35 0.00 -2.00 0.00 0.00 57.00 54.77 1bc8 n GLN 16 Cb 0.16 -1.80 -0.12 0.00 -4.06 0.00 0.00 30.24 24.42 1bc8 n GLN 16 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 1bc8 s LYS 17 N -3.37 3.64 0.51 3.69 -0.14 -1.03 -4.98 119.74 118.06 1bc8 s LYS 17 Ca -0.01 -0.50 0.24 0.00 -1.36 0.00 0.00 55.97 54.34 1bc8 s LYS 17 Cb 0.10 -3.16 1.33 0.00 -1.68 0.00 0.00 37.83 34.42 1bc8 s LYS 17 CO 0.80 -0.04 1.97 -1.35 -0.76 0.00 0.00 175.35 175.97 1bc8 h PRO 18 N 7.69 0.09 -0.14 -1.68 0.11 -1.89 -0.90 132.00 135.27 1bc8 h PRO 18 Ca -0.37 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.78 1bc8 h PRO 18 Cb 1.18 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1bc8 h PRO 18 CO 0.61 0.06 0.21 1.96 -0.21 0.00 0.00 178.00 180.62 1bc8 h GLN 19 N 0.09 0.00 -0.37 1.05 7.50 -1.93 -1.40 115.11 120.05 1bc8 h GLN 19 Ca 0.29 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.44 1bc8 h GLN 19 Cb 1.04 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.57 1bc8 h GLN 19 CO -0.03 0.00 0.00 0.09 -1.50 0.00 0.00 178.83 177.39 1bc8 n ASN 20 N -3.55 3.08 0.18 1.46 3.02 -0.34 -4.53 115.26 114.57 1bc8 n ASN 20 Ca 0.01 -1.91 0.08 0.00 -0.03 0.00 0.00 54.58 52.73 1bc8 n ASN 20 Cb 0.32 -0.24 0.60 0.00 -0.61 0.00 0.00 39.78 39.84 1bc8 n ASN 20 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1bc8 h LYS 21 N 3.08 0.12 0.00 3.52 1.57 -1.32 -0.04 116.57 123.49 1bc8 h LYS 21 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1bc8 h LYS 21 Cb 0.80 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.08 1bc8 h LYS 21 CO 0.00 0.08 0.00 1.12 -0.57 0.00 0.00 179.45 180.08 1bc8 h HIS 22 N 0.12 0.00 0.00 -1.35 2.07 -1.79 -3.25 115.15 110.95 1bc8 h HIS 22 Ca 0.06 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.52 1bc8 h HIS 22 Cb 0.09 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.06 1bc8 h HIS 22 CO -0.00 0.00 -1.59 0.00 -3.07 0.00 0.00 177.93 173.27 1bc8 n MET 23 N -2.96 0.95 -3.66 5.12 0.00 -0.37 -4.21 117.12 111.99 1bc8 n MET 23 Ca 0.01 -0.07 -0.06 0.00 0.00 0.00 0.00 57.70 57.57 1bc8 n MET 23 Cb 0.29 -1.27 -0.08 0.00 0.00 0.00 0.00 33.22 32.16 1bc8 n MET 23 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 175.97 174.47 1bc8 s ILE 24 N -2.63 -0.52 0.06 3.17 2.07 -0.17 -1.04 121.20 122.14 1bc8 s ILE 24 Ca -0.05 0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.27 1bc8 s ILE 24 Cb 0.06 -0.82 -0.04 0.00 0.13 0.00 0.00 42.46 41.79 1bc8 s ILE 24 CO 0.47 0.03 -0.05 0.00 -1.91 0.00 0.00 174.94 173.48 1bc8 s TRP 26 N -3.34 3.86 -0.16 0.00 0.52 -1.26 -0.83 118.94 117.73 1bc8 s TRP 26 Ca 0.05 1.86 0.02 0.00 0.02 0.00 0.00 56.10 58.04 1bc8 s TRP 26 Cb 0.04 -3.02 0.03 0.00 -1.15 0.00 0.00 33.47 29.36 1bc8 s TRP 26 CO -0.06 0.23 0.83 0.25 0.02 0.00 0.00 176.95 178.22 1bc8 n THR 27 N 1.25 0.58 -3.90 2.01 -2.24 0.21 -4.87 114.28 107.32 1bc8 n THR 27 Ca -0.01 -0.79 -0.08 0.00 -2.27 0.00 0.00 64.05 60.90 1bc8 n THR 27 Cb 0.47 0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 69.40 1bc8 n THR 27 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1bc8 s SER 28 N -0.63 -0.21 -0.30 3.42 1.04 -1.17 -4.96 113.70 110.89 1bc8 s SER 28 Ca 0.03 -0.71 0.11 0.00 0.48 0.00 0.00 55.95 55.86 1bc8 s SER 28 Cb 0.02 0.70 0.73 0.00 0.10 0.00 0.00 66.02 67.56 1bc8 s SER 28 CO 0.02 -1.30 1.75 -0.46 0.98 0.00 0.00 173.24 174.23 1bc8 n ASN 29 N -0.46 4.76 -1.43 7.02 6.94 -1.26 -4.37 115.26 126.46 1bc8 n ASN 29 Ca -0.03 -3.20 0.04 0.00 -0.02 0.00 0.00 54.58 51.37 1bc8 n ASN 29 Cb 0.60 -0.71 0.03 0.00 -2.36 0.00 0.00 39.78 37.33 1bc8 n ASN 29 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1bc8 n ASP 30 N -0.14 1.00 0.00 0.53 5.75 -1.26 -5.01 116.55 117.42 1bc8 n ASP 30 Ca 0.37 -2.08 0.00 0.00 -0.01 0.00 0.00 54.79 53.06 1bc8 n ASP 30 Cb 1.30 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 41.08 1bc8 n ASP 30 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bc8 n GLY 31 N 0.41 0.45 3.74 6.12 0.00 -1.26 -4.69 105.19 109.96 1bc8 n GLY 31 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1bc8 n GLY 31 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1bc8 s GLN 32 N -0.72 4.63 0.10 1.61 0.74 -1.26 -1.19 119.66 123.58 1bc8 s GLN 32 Ca 0.00 1.65 -0.06 0.00 0.05 0.00 0.00 55.36 57.00 1bc8 s GLN 32 Cb 0.00 -3.30 -0.02 0.00 1.10 0.00 0.00 33.01 30.80 1bc8 s GLN 32 CO 0.00 0.12 0.15 -0.59 -0.55 0.00 0.00 175.29 174.43 1bc8 s PHE 33 N -0.24 0.37 -0.03 1.67 -0.71 -0.08 -0.62 117.98 118.34 1bc8 s PHE 33 Ca 0.48 -0.80 0.02 0.00 -1.04 0.00 0.00 56.93 55.59 1bc8 s PHE 33 Cb -0.28 -0.18 0.01 0.00 -1.21 0.00 0.00 43.02 41.37 1bc8 s PHE 33 CO 0.34 -0.55 -0.06 0.21 -1.34 0.00 0.00 175.22 173.81 1bc8 s LYS 34 N -3.92 0.82 -1.07 1.99 2.20 -0.01 -0.94 119.74 118.81 1bc8 s LYS 34 Ca 0.11 -0.19 -0.20 0.00 -0.36 0.00 0.00 55.97 55.33 1bc8 s LYS 34 Cb 0.05 -0.80 0.09 0.00 -1.51 0.00 0.00 37.83 35.67 1bc8 s LYS 34 CO -0.07 0.01 1.42 -0.51 -0.36 0.00 0.00 175.35 175.85 1bc8 s LEU 35 N 0.51 4.17 0.24 5.43 1.43 -0.21 -1.94 118.68 128.31 1bc8 s LEU 35 Ca -0.07 -1.99 -0.06 0.00 -1.03 0.00 0.00 54.13 50.98 1bc8 s LEU 35 Cb -0.11 -2.51 0.28 0.00 0.03 0.00 0.00 46.19 43.89 1bc8 s LEU 35 CO 0.00 -1.23 1.88 -0.07 0.23 0.00 0.00 176.35 177.16 1bc8 h LEU 36 N 11.75 0.95 -6.75 1.79 3.38 -1.36 -3.21 115.31 121.85 1bc8 h LEU 36 Ca 0.25 -0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.61 1bc8 h LEU 36 Cb 0.97 -0.21 -0.41 0.00 0.09 0.00 0.00 40.66 41.10 1bc8 h LEU 36 CO 1.33 0.65 -0.66 0.00 0.09 0.00 0.00 178.44 179.84 1bc8 n GLN 37 N -4.53 1.67 -0.19 1.13 1.13 -0.46 -4.97 117.38 111.16 1bc8 n GLN 37 Ca 0.11 -4.27 -0.02 0.00 -1.94 0.00 0.00 57.00 50.88 1bc8 n GLN 37 Cb 0.10 -2.14 0.08 0.00 0.11 0.00 0.00 30.24 28.39 1bc8 n GLN 37 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1bc8 h ALA 38 N 5.12 0.74 -0.03 -1.58 0.00 -1.78 -0.97 119.26 120.75 1bc8 h ALA 38 Ca 0.17 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 1bc8 h ALA 38 Cb 0.76 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1bc8 h ALA 38 CO 0.68 -0.13 -0.58 0.93 0.00 0.00 0.00 179.25 180.14 1bc8 h GLU 39 N 0.47 0.10 -0.37 0.00 4.39 -1.94 -1.73 114.58 115.49 1bc8 h GLU 39 Ca 0.27 -0.07 -0.14 0.00 0.34 0.00 0.00 59.36 59.76 1bc8 h GLU 39 Cb 0.26 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1bc8 h GLU 39 CO -0.23 0.66 -0.31 1.49 -1.16 0.00 0.00 179.01 179.45 1bc8 h GLU 40 N 0.08 0.87 -0.68 2.33 4.81 -1.82 -1.31 114.58 118.85 1bc8 h GLU 40 Ca -0.00 -0.44 -0.06 0.00 -0.13 0.00 0.00 59.36 58.73 1bc8 h GLU 40 Cb 1.05 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 1bc8 h GLU 40 CO 0.08 1.08 0.19 0.28 -0.73 0.00 0.00 179.01 179.91 1bc8 h VAL 41 N 0.68 1.25 -0.68 0.32 2.07 -1.08 -2.23 116.25 116.58 1bc8 h VAL 41 Ca 0.07 -0.91 -0.08 0.00 0.82 0.00 0.00 66.70 66.60 1bc8 h VAL 41 Cb 0.89 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1bc8 h VAL 41 CO 0.08 0.35 0.12 0.00 0.02 0.00 0.00 177.57 178.14 1bc8 h ALA 42 N 1.18 0.91 -0.64 1.67 0.00 -1.11 -1.08 119.26 120.18 1bc8 h ALA 42 Ca 0.22 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1bc8 h ALA 42 Cb 0.32 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1bc8 h ALA 42 CO -0.00 0.67 0.07 0.00 0.00 0.00 0.00 179.25 179.99 1bc8 h ARG 43 N 1.05 1.08 -0.52 0.00 3.08 -1.06 -0.47 114.38 117.54 1bc8 h ARG 43 Ca 0.21 -0.30 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 1bc8 h ARG 43 Cb 0.43 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1bc8 h ARG 43 CO 0.01 1.01 0.11 1.25 -1.07 0.00 0.00 179.97 181.27 1bc8 h LEU 44 N 1.00 0.76 -0.36 3.04 5.85 -1.06 -1.02 115.31 123.52 1bc8 h LEU 44 Ca 0.19 -0.14 -0.15 0.00 0.84 0.00 0.00 57.88 58.62 1bc8 h LEU 44 Cb 0.47 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1bc8 h LEU 44 CO 0.02 0.76 -0.36 -0.25 -0.34 0.00 0.00 178.44 178.27 1bc8 h TRP 45 N 0.78 1.05 -0.24 1.25 -0.00 -0.82 -2.23 115.95 115.74 1bc8 h TRP 45 Ca 0.17 -0.31 -0.07 0.00 -0.00 0.00 0.00 58.89 58.67 1bc8 h TRP 45 Cb 0.32 -0.22 -0.01 0.00 -0.00 0.00 0.00 29.16 29.24 1bc8 h TRP 45 CO 0.02 1.12 -0.17 0.78 -0.00 0.00 0.00 178.44 180.19 1bc8 h GLY 46 N 0.67 0.44 0.96 2.65 0.00 -0.65 -0.53 103.07 106.62 1bc8 h GLY 46 Ca 0.06 -0.31 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 1bc8 h GLY 46 CO 0.09 0.29 -0.14 -2.22 0.00 0.00 0.00 176.54 174.56 1bc8 h ILE 47 N 0.38 1.28 -0.61 2.60 2.04 -1.08 0.81 117.51 122.94 1bc8 h ILE 47 Ca 0.07 -1.24 -0.03 0.00 1.00 0.00 0.00 64.86 64.65 1bc8 h ILE 47 Cb 0.52 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 1bc8 h ILE 47 CO 0.03 0.41 0.26 -0.09 0.00 0.00 0.00 178.15 178.76 1bc8 h ARG 48 N 0.51 0.90 -0.02 2.37 9.65 -0.98 -2.93 114.38 123.88 1bc8 h ARG 48 Ca 0.08 -0.15 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 1bc8 h ARG 48 Cb 0.67 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 1bc8 h ARG 48 CO 0.05 0.75 -0.13 1.63 2.80 0.00 0.00 179.97 185.07 1bc8 n LYS 49 N -4.47 1.55 -3.07 0.20 4.76 -0.24 -3.63 118.16 113.24 1bc8 n LYS 49 Ca 0.04 -1.06 -0.13 0.00 -2.87 0.00 0.00 58.31 54.28 1bc8 n LYS 49 Cb 0.15 -1.48 0.04 0.00 -1.84 0.00 0.00 35.03 31.91 1bc8 n LYS 49 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1bc8 n ASN 50 N 0.20 -4.36 -3.89 4.39 2.85 0.13 -4.94 115.26 109.64 1bc8 n ASN 50 Ca 0.15 -0.28 -0.29 0.00 -0.11 0.00 0.00 54.58 54.05 1bc8 n ASN 50 Cb 0.42 -2.94 -0.13 0.00 1.24 0.00 0.00 39.78 38.37 1bc8 n ASN 50 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1bc8 s LYS 51 N -5.68 2.23 0.65 1.20 -0.14 0.24 -4.98 119.74 113.27 1bc8 s LYS 51 Ca 0.31 -3.06 0.27 0.00 -1.36 0.00 0.00 55.97 52.13 1bc8 s LYS 51 Cb -0.14 -3.29 1.46 0.00 -1.68 0.00 0.00 37.83 34.18 1bc8 s LYS 51 CO 0.38 -1.24 1.83 -1.00 -0.76 0.00 0.00 175.35 174.57 1bc8 h PRO 52 N 5.76 0.00 -0.69 -1.68 0.13 -1.95 -0.36 132.00 133.21 1bc8 h PRO 52 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1bc8 h PRO 52 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1bc8 h PRO 52 CO 0.69 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.55 1bc8 n ASN 53 N -2.99 4.60 -4.76 1.44 5.03 -1.26 -4.97 115.26 112.35 1bc8 n ASN 53 Ca 0.00 -2.33 -0.41 0.00 0.87 0.00 0.00 54.58 52.71 1bc8 n ASN 53 Cb 0.49 -0.56 -0.02 0.00 -1.02 0.00 0.00 39.78 38.67 1bc8 n ASN 53 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 1bc8 s MET 54 N -1.62 4.29 0.33 3.52 1.75 -0.15 -5.02 119.30 122.41 1bc8 s MET 54 Ca 0.51 2.29 0.00 0.00 -1.25 0.00 0.00 55.69 57.25 1bc8 s MET 54 Cb 0.31 -3.08 -0.01 0.00 2.84 0.00 0.00 34.83 34.89 1bc8 s MET 54 CO 0.28 -0.33 0.39 0.54 -0.65 0.00 0.00 175.02 175.25 1bc8 s ASN 55 N -0.05 1.06 0.42 1.11 2.20 -1.26 -4.40 114.94 114.02 1bc8 s ASN 55 Ca 0.54 -1.54 0.15 0.00 -0.94 0.00 0.00 52.86 51.07 1bc8 s ASN 55 Cb -0.41 0.61 0.90 0.00 -2.00 0.00 0.00 41.25 40.35 1bc8 s ASN 55 CO 0.49 -1.19 1.91 0.22 -2.94 0.00 0.00 177.10 175.59 1bc8 h TYR 56 N 2.16 0.00 0.27 1.54 3.20 -1.87 -1.53 116.97 120.73 1bc8 h TYR 56 Ca -0.28 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.60 1bc8 h TYR 56 Cb 1.24 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.48 1bc8 h TYR 56 CO 1.44 0.27 -0.37 0.22 -1.64 0.00 0.00 178.16 178.08 1bc8 h ASP 57 N 0.00 -1.05 0.28 -2.11 3.58 -1.96 0.99 116.42 116.15 1bc8 h ASP 57 Ca -0.00 0.10 -0.15 0.00 0.42 0.00 0.00 57.03 57.40 1bc8 h ASP 57 Cb 0.51 0.37 -0.01 0.00 1.72 0.00 0.00 39.33 41.92 1bc8 h ASP 57 CO 0.04 -0.49 -0.59 0.11 -2.88 0.00 0.00 179.24 175.43 1bc8 h LYS 58 N -0.70 0.31 -0.54 0.28 1.57 -1.94 -2.72 116.57 112.84 1bc8 h LYS 58 Ca -0.01 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.52 1bc8 h LYS 58 Cb 0.67 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 1bc8 h LYS 58 CO -0.13 0.81 0.13 1.25 -0.57 0.00 0.00 179.45 180.94 1bc8 h LEU 59 N 0.23 0.81 -1.45 2.94 6.46 -1.08 -2.21 115.31 121.02 1bc8 h LEU 59 Ca -0.00 -0.23 -0.03 0.00 -0.12 0.00 0.00 57.88 57.50 1bc8 h LEU 59 Cb 1.09 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.79 1bc8 h LEU 59 CO 0.10 0.83 0.06 0.77 -0.62 0.00 0.00 178.44 179.58 1bc8 h SER 60 N 0.76 0.39 -0.56 1.25 4.64 -0.73 -1.07 113.55 118.22 1bc8 h SER 60 Ca 0.17 -0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.38 1bc8 h SER 60 Cb 0.33 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.30 1bc8 h SER 60 CO 0.00 0.40 0.13 -0.09 -0.87 0.00 0.00 176.83 176.41 1bc8 h ARG 61 N 0.42 0.94 -0.44 4.77 9.65 -1.09 0.46 114.38 129.09 1bc8 h ARG 61 Ca 0.10 -0.21 -0.08 0.00 -1.10 0.00 0.00 59.98 58.69 1bc8 h ARG 61 Cb 0.18 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.61 1bc8 h ARG 61 CO -0.00 0.85 -0.06 0.00 2.80 0.00 0.00 179.97 183.56 1bc8 h ALA 62 N 1.24 1.07 -0.48 2.80 0.00 -0.84 -2.30 119.26 120.75 1bc8 h ALA 62 Ca 0.19 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1bc8 h ALA 62 Cb 0.34 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1bc8 h ALA 62 CO 0.00 0.58 -0.12 -0.07 0.00 0.00 0.00 179.25 179.64 1bc8 h LEU 63 N 0.70 0.90 -1.84 0.00 3.38 -0.50 -2.61 115.31 115.33 1bc8 h LEU 63 Ca 0.13 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1bc8 h LEU 63 Cb 0.51 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1bc8 h LEU 63 CO 0.03 1.03 -0.13 0.03 0.09 0.00 0.00 178.44 179.49 1bc8 h ARG 64 N 0.80 0.00 0.00 1.13 3.08 -0.42 0.23 114.38 119.20 1bc8 h ARG 64 Ca 0.13 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 1bc8 h ARG 64 Cb 0.65 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 1bc8 h ARG 64 CO 0.05 0.13 -0.06 1.88 -1.07 0.00 0.00 179.97 180.89 1bc8 h TYR 65 N 0.00 0.00 0.00 3.04 0.05 -1.04 -2.51 116.97 116.51 1bc8 h TYR 65 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1bc8 h TYR 65 Cb 0.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.99 1bc8 h TYR 65 CO 0.00 0.06 0.00 1.88 -1.05 0.00 0.00 178.16 179.05 1bc8 h TYR 66 N 0.00 0.00 -0.54 4.88 0.05 -0.89 -3.20 116.97 117.27 1bc8 h TYR 66 Ca -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1bc8 h TYR 66 Cb 0.62 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.33 1bc8 h TYR 66 CO 0.00 0.00 0.31 1.88 -1.05 0.00 0.00 178.16 179.30 1bc8 h TYR 67 N 0.00 0.73 -0.54 4.88 0.05 -1.34 0.13 116.97 120.88 1bc8 h TYR 67 Ca 0.00 -0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.67 1bc8 h TYR 67 Cb 0.72 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 38.21 1bc8 h TYR 67 CO 0.00 0.51 -0.07 0.28 -1.05 0.00 0.00 178.16 177.83 1bc8 h VAL 68 N 0.73 1.27 0.00 -2.88 2.07 -1.72 -2.76 116.25 112.96 1bc8 h VAL 68 Ca 0.19 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.50 1bc8 h VAL 68 Cb 0.01 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1bc8 h VAL 68 CO -0.03 0.43 0.00 0.29 0.02 0.00 0.00 177.57 178.28 1bc8 n LYS 69 N -4.20 0.12 -2.87 1.57 5.02 -0.99 -4.91 118.16 111.90 1bc8 n LYS 69 Ca 0.01 0.24 -0.17 0.00 -2.02 0.00 0.00 58.31 56.37 1bc8 n LYS 69 Cb 0.38 -1.69 0.03 0.00 -0.02 0.00 0.00 35.03 33.73 1bc8 n LYS 69 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1bc8 n ASN 70 N -1.91 -5.04 -0.11 4.39 3.02 0.38 -4.91 115.26 111.07 1bc8 n ASN 70 Ca 0.04 -0.23 -0.23 0.00 -0.03 0.00 0.00 54.58 54.13 1bc8 n ASN 70 Cb 0.29 -3.87 -0.12 0.00 -0.61 0.00 0.00 39.78 35.47 1bc8 n ASN 70 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1bc8 n ILE 71 N -4.22 1.56 -3.89 2.41 5.41 -0.76 -4.63 119.36 115.23 1bc8 n ILE 71 Ca -0.08 -0.47 -0.11 0.00 1.00 0.00 0.00 62.75 63.09 1bc8 n ILE 71 Cb 0.59 -1.68 -0.13 0.00 -0.71 0.00 0.00 39.64 37.71 1bc8 n ILE 71 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1bc8 s ILE 72 N -2.51 0.03 0.24 1.39 1.01 -1.22 -1.38 121.20 118.76 1bc8 s ILE 72 Ca -0.33 -0.23 0.08 0.00 0.00 0.00 0.00 60.65 60.16 1bc8 s ILE 72 Cb 0.10 -0.10 -0.05 0.00 0.01 0.00 0.00 42.46 42.42 1bc8 s ILE 72 CO 0.60 -0.13 -0.12 -1.59 0.00 0.00 0.00 174.94 173.70 1bc8 s LYS 73 N -0.38 1.46 0.15 2.79 -2.85 -0.28 -2.97 119.74 117.66 1bc8 s LYS 73 Ca -0.04 -1.69 -0.18 0.00 -1.00 0.00 0.00 55.97 53.06 1bc8 s LYS 73 Cb -0.03 -1.22 -0.07 0.00 -2.06 0.00 0.00 37.83 34.45 1bc8 s LYS 73 CO -0.00 0.15 0.62 0.21 0.10 0.00 0.00 175.35 176.43 1bc8 s LYS 74 N -3.66 4.17 -0.50 1.78 2.47 -1.26 -1.12 119.74 121.62 1bc8 s LYS 74 Ca 0.26 0.73 -0.21 0.00 -1.56 0.00 0.00 55.97 55.18 1bc8 s LYS 74 Cb 0.00 -3.03 0.04 0.00 -1.46 0.00 0.00 37.83 33.39 1bc8 s LYS 74 CO 0.10 0.51 0.74 0.08 0.16 0.00 0.00 175.35 176.93 1bc8 s VAL 75 N -1.36 4.70 0.25 4.02 1.01 -0.95 -4.83 120.40 123.23 1bc8 s VAL 75 Ca 0.37 -0.07 -0.31 0.00 0.00 0.00 0.00 61.98 61.97 1bc8 s VAL 75 Cb -0.17 -4.36 -0.13 0.00 0.00 0.00 0.00 36.38 31.72 1bc8 s VAL 75 CO 0.20 -0.86 1.48 0.59 0.00 0.00 0.00 175.10 176.51 1bc8 n ASN 76 N 6.63 3.10 -1.31 3.32 3.02 -1.26 -2.96 115.26 125.81 1bc8 n ASN 76 Ca -0.02 1.14 -0.13 0.00 -0.03 0.00 0.00 54.58 55.53 1bc8 n ASN 76 Cb 0.47 -1.48 -0.03 0.00 -0.61 0.00 0.00 39.78 38.14 1bc8 n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bc8 n GLY 77 N 2.30 0.45 2.51 7.41 0.00 -1.26 -4.98 105.19 111.61 1bc8 n GLY 77 Ca 0.11 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 1bc8 n GLY 77 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bc8 s GLN 78 N -4.05 0.49 0.08 1.61 -0.21 -1.15 -5.12 119.66 111.30 1bc8 s GLN 78 Ca 0.00 -1.12 -0.37 0.00 0.02 0.00 0.00 55.36 53.90 1bc8 s GLN 78 Cb 0.00 -1.34 -0.18 0.00 1.00 0.00 0.00 33.01 32.49 1bc8 s GLN 78 CO 0.00 -1.14 1.11 1.63 -2.12 0.00 0.00 175.29 174.77 1bc8 n LYS 79 N 4.40 0.56 -0.87 2.91 5.02 -1.26 -1.39 118.16 127.53 1bc8 n LYS 79 Ca 0.06 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1bc8 n LYS 79 Cb 0.38 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1bc8 n LYS 79 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1bc8 n PHE 80 N 1.66 0.00 -3.76 2.13 3.72 -1.26 -4.89 117.46 115.06 1bc8 n PHE 80 Ca 0.18 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.23 1bc8 n PHE 80 Cb 0.16 -1.46 -0.08 0.00 -0.94 0.00 0.00 39.48 37.16 1bc8 n PHE 80 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1bc8 s VAL 81 N -1.34 5.41 0.32 -4.37 1.01 -0.49 -1.04 120.40 119.90 1bc8 s VAL 81 Ca 0.00 0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.20 1bc8 s VAL 81 Cb 0.00 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 1bc8 s VAL 81 CO 0.00 0.46 0.14 -0.31 0.00 0.00 0.00 175.10 175.40 1bc8 s TYR 82 N 0.17 1.65 -0.07 5.22 1.51 -0.11 -2.25 117.35 123.47 1bc8 s TYR 82 Ca 0.09 -1.31 -0.04 0.00 -1.01 0.00 0.00 57.07 54.79 1bc8 s TYR 82 Cb -0.11 -0.93 0.03 0.00 -0.11 0.00 0.00 41.96 40.83 1bc8 s TYR 82 CO -0.01 -0.44 0.17 0.21 -1.11 0.00 0.00 175.55 174.37 1bc8 s LYS 83 N -3.82 0.15 -0.15 -0.62 2.20 -0.28 -0.90 119.74 116.32 1bc8 s LYS 83 Ca 0.34 0.33 -0.29 0.00 -0.36 0.00 0.00 55.97 55.99 1bc8 s LYS 83 Cb 0.05 -0.05 -0.01 0.00 -1.51 0.00 0.00 37.83 36.31 1bc8 s LYS 83 CO 0.17 -0.10 1.18 -0.06 -0.36 0.00 0.00 175.35 176.18 1bc8 s PHE 84 N 0.69 3.08 0.16 4.03 0.08 -0.33 -1.13 117.98 124.56 1bc8 s PHE 84 Ca -0.05 1.20 -0.21 0.00 0.12 0.00 0.00 56.93 57.98 1bc8 s PHE 84 Cb -0.07 -3.41 0.05 0.00 -0.57 0.00 0.00 43.02 39.03 1bc8 s PHE 84 CO -0.04 -1.24 1.63 0.28 -0.10 0.00 0.00 175.22 175.76 1bc8 h VAL 85 N 5.35 0.38 -2.67 -0.44 2.07 -1.49 -3.34 116.25 116.11 1bc8 h VAL 85 Ca -0.27 0.00 -0.60 0.00 0.82 0.00 0.00 66.70 66.65 1bc8 h VAL 85 Cb 1.11 0.38 -0.39 0.00 -1.52 0.00 0.00 31.29 30.86 1bc8 h VAL 85 CO 0.94 0.00 -0.82 -0.44 0.02 0.00 0.00 177.57 177.27 1bc8 s SER 86 N -5.07 2.79 -0.15 0.57 0.01 -1.26 -5.06 113.70 105.53 1bc8 s SER 86 Ca -0.15 -3.09 -0.05 0.00 1.31 0.00 0.00 55.95 53.97 1bc8 s SER 86 Cb 0.13 -0.83 -0.04 0.00 0.21 0.00 0.00 66.02 65.50 1bc8 s SER 86 CO 0.68 -0.18 0.03 -0.47 0.41 0.00 0.00 173.24 173.72 1bc8 s TYR 87 N -0.14 3.21 -0.93 2.43 5.04 -1.25 -1.95 117.35 123.75 1bc8 s TYR 87 Ca 0.27 0.05 0.13 0.00 -2.44 0.00 0.00 57.07 55.08 1bc8 s TYR 87 Cb -0.06 -1.98 0.58 0.00 0.35 0.00 0.00 41.96 40.85 1bc8 s TYR 87 CO -0.13 0.23 1.44 -0.35 -1.34 0.00 0.00 175.55 175.39 1bc8 n PRO 88 N 3.11 3.43 -0.32 4.97 -0.04 -1.26 -4.68 135.00 140.22 1bc8 n PRO 88 Ca -0.17 -2.27 0.22 0.00 -0.04 0.00 0.00 63.50 61.24 1bc8 n PRO 88 Cb 0.53 -1.88 0.51 0.00 -0.04 0.00 0.00 33.50 32.62 1bc8 n PRO 88 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1bc8 h GLU 89 N 3.11 0.39 0.00 0.54 4.57 -1.80 0.30 114.58 121.69 1bc8 h GLU 89 Ca 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1bc8 h GLU 89 Cb 1.35 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1bc8 h GLU 89 CO 0.26 0.26 0.00 1.51 -1.18 0.00 0.00 179.01 179.85 1bc8 n ILE 90 N -4.62 0.66 0.73 2.32 3.06 -0.82 -2.50 119.36 118.19 1bc8 n ILE 90 Ca 0.25 0.17 0.10 0.00 -2.50 0.00 0.00 62.75 60.76 1bc8 n ILE 90 Cb 0.86 -0.95 -0.12 0.00 0.54 0.00 0.00 39.64 39.97 1bc8 n ILE 90 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 1bc8 n LEU 91 N -1.29 0.73 -3.67 9.51 4.77 0.11 -4.54 117.00 122.62 1bc8 n LEU 91 Ca 0.06 -0.39 -0.28 0.00 -0.03 0.00 0.00 56.01 55.37 1bc8 n LEU 91 Cb 0.11 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.10 1bc8 n LEU 91 CO 0.10 0.18 0.08 0.59 -1.33 0.00 0.00 177.39 177.01 1bc8 n ASN 92 N -1.64 3.58 0.00 -1.43 3.02 -1.04 -5.18 115.26 112.56 1bc8 n ASN 92 Ca 0.02 -3.34 0.11 0.00 -0.03 0.00 0.00 54.58 51.34 1bc8 n ASN 92 Cb 0.36 -0.75 0.63 0.00 -0.61 0.00 0.00 39.78 39.42 1bc8 n ASN 92 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87