#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yd6 n ASN 2 N 0.00 0.00 0.06 6.12 4.13 -1.26 -4.92 115.26 119.39 1yd6 n ASN 2 Ca 0.00 0.00 0.01 0.00 1.68 0.00 0.00 54.58 56.27 1yd6 n ASN 2 Cb 0.00 0.00 0.35 0.00 -1.54 0.00 0.00 39.78 38.59 1yd6 n ASN 2 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1yd6 h GLU 3 N 0.00 0.39 0.40 3.52 4.57 -2.05 -2.92 114.58 118.48 1yd6 h GLU 3 Ca 0.00 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 1yd6 h GLU 3 Cb 0.00 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 1yd6 h GLU 3 CO 0.00 0.46 -0.19 -0.09 -1.18 0.00 0.00 179.01 178.01 1yd6 h ARG 4 N 0.37 -0.52 -0.52 1.92 2.43 -1.99 -1.42 114.38 114.64 1yd6 h ARG 4 Ca 0.08 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1yd6 h ARG 4 Cb 0.34 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 1yd6 h ARG 4 CO 0.01 -0.22 0.24 1.25 -1.51 0.00 0.00 179.97 179.75 1yd6 h LEU 5 N -0.84 0.65 -0.37 3.80 5.85 -1.93 0.12 115.31 122.59 1yd6 h LEU 5 Ca -0.06 -0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.49 1yd6 h LEU 5 Cb 0.55 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1yd6 h LEU 5 CO 0.09 0.56 -0.21 0.11 -0.34 0.00 0.00 178.44 178.65 1yd6 h LYS 6 N 0.73 0.80 -0.56 1.25 1.79 -1.45 0.14 116.57 119.28 1yd6 h LYS 6 Ca 0.18 -0.36 -0.09 0.00 -2.18 0.00 0.00 60.65 58.20 1yd6 h LYS 6 Cb 0.09 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 1yd6 h LYS 6 CO -0.02 0.99 -0.01 1.49 -1.08 0.00 0.00 179.45 180.81 1yd6 h GLU 7 N 0.60 0.97 -0.53 3.15 4.57 -0.84 -0.44 114.58 122.05 1yd6 h GLU 7 Ca 0.08 -0.30 -0.12 0.00 -1.18 0.00 0.00 59.36 57.84 1yd6 h GLU 7 Cb 0.77 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.25 1yd6 h GLU 7 CO 0.06 0.97 -0.13 -0.22 -1.18 0.00 0.00 179.01 178.51 1yd6 h LYS 8 N 0.89 1.03 -0.45 1.92 3.64 -0.50 -1.44 116.57 121.66 1yd6 h LYS 8 Ca 0.16 -0.39 -0.05 0.00 -1.27 0.00 0.00 60.65 59.10 1yd6 h LYS 8 Cb 0.54 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1yd6 h LYS 8 CO 0.03 1.08 0.09 -0.07 -2.27 0.00 0.00 179.45 178.31 1yd6 h LEU 9 N 0.91 0.63 -1.56 5.20 3.38 -0.62 -2.98 115.31 120.27 1yd6 h LEU 9 Ca 0.14 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1yd6 h LEU 9 Cb 0.70 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1yd6 h LEU 9 CO 0.05 0.64 -0.23 0.00 0.09 0.00 0.00 178.44 178.99 1yd6 h ALA 10 N 1.44 1.42 -0.51 1.53 0.00 -0.06 -3.10 119.26 119.98 1yd6 h ALA 10 Ca 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1yd6 h ALA 10 Cb 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1yd6 h ALA 10 CO 0.00 0.29 0.00 1.33 0.00 0.00 0.00 179.25 180.87 1yd6 n VAL 11 N -3.97 1.21 -1.70 0.00 0.24 -0.72 -4.96 118.33 108.42 1yd6 n VAL 11 Ca -0.02 -1.09 -0.42 0.00 -2.04 0.00 0.00 64.34 60.77 1yd6 n VAL 11 Cb 0.31 0.39 -0.00 0.00 -1.47 0.00 0.00 33.84 33.07 1yd6 n VAL 11 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1yd6 n LEU 12 N 0.89 3.75 -4.86 1.34 4.77 -1.17 -4.96 117.00 116.76 1yd6 n LEU 12 Ca 0.18 1.19 -0.32 0.00 -0.03 0.00 0.00 56.01 57.03 1yd6 n LEU 12 Cb 0.59 -1.50 -0.05 0.00 -2.33 0.00 0.00 43.42 40.13 1yd6 n LEU 12 CO 0.13 -0.48 0.43 -2.16 -1.33 0.00 0.00 177.39 173.99 1yd6 s PRO 13 N -1.97 3.91 -1.29 3.23 0.04 -1.26 -4.65 135.00 133.00 1yd6 s PRO 13 Ca 0.57 0.59 -0.15 0.00 0.04 0.00 0.00 61.00 62.05 1yd6 s PRO 13 Cb -0.55 -2.41 0.12 0.00 0.04 0.00 0.00 34.50 31.70 1yd6 s PRO 13 CO 0.61 0.07 1.72 -1.91 0.04 0.00 0.00 177.00 177.53 1yd6 n GLU 14 N -0.79 3.27 -3.86 4.56 2.13 -1.26 -1.79 120.64 122.91 1yd6 n GLU 14 Ca 0.03 -3.42 -0.11 0.00 0.66 0.00 0.00 57.16 54.31 1yd6 n GLU 14 Cb 0.53 -3.22 -0.10 0.00 0.27 0.00 0.00 31.44 28.92 1yd6 n GLU 14 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1yd6 s GLN 15 N 2.58 0.41 0.59 5.31 -1.52 -1.26 -4.98 119.66 120.79 1yd6 s GLN 15 Ca 0.47 -0.24 -0.15 0.00 -1.95 0.00 0.00 55.36 53.49 1yd6 s GLN 15 Cb 0.04 0.17 -0.04 0.00 -0.22 0.00 0.00 33.01 32.96 1yd6 s GLN 15 CO 0.02 -0.09 1.04 -1.25 -0.25 0.00 0.00 175.29 174.75 1yd6 s PRO 16 N -1.01 3.43 0.00 2.91 0.04 -1.14 -0.82 135.00 138.41 1yd6 s PRO 16 Ca -0.11 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1yd6 s PRO 16 Cb -0.06 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1yd6 s PRO 16 CO 0.01 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 176.75 1yd6 n GLY 17 N -1.37 -1.07 3.65 0.56 0.00 -0.60 -1.42 105.19 104.94 1yd6 n GLY 17 Ca 0.08 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 1yd6 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yd6 s TYR 19 N -1.06 2.49 -0.27 0.00 1.13 -0.33 -0.72 117.35 118.58 1yd6 s TYR 19 Ca 0.19 -0.30 0.03 0.00 -1.41 0.00 0.00 57.07 55.58 1yd6 s TYR 19 Cb -0.11 -1.39 0.07 0.00 -1.10 0.00 0.00 41.96 39.43 1yd6 s TYR 19 CO 0.10 0.29 -0.05 -0.51 -2.51 0.00 0.00 175.55 172.86 1yd6 s LEU 20 N -1.73 3.50 0.10 -3.49 1.02 0.04 -2.02 118.68 116.10 1yd6 s LEU 20 Ca 0.15 -1.53 -0.27 0.00 0.02 0.00 0.00 54.13 52.50 1yd6 s LEU 20 Cb -0.10 -1.46 -0.06 0.00 0.02 0.00 0.00 46.19 44.59 1yd6 s LEU 20 CO 0.07 -0.25 0.85 -0.04 0.02 0.00 0.00 176.35 176.99 1yd6 s MET 21 N 1.14 4.61 0.12 1.70 -1.94 0.21 -1.28 119.30 123.85 1yd6 s MET 21 Ca -0.03 1.24 0.10 0.00 -1.71 0.00 0.00 55.69 55.29 1yd6 s MET 21 Cb -0.19 -3.34 -0.04 0.00 2.01 0.00 0.00 34.83 33.27 1yd6 s MET 21 CO -0.07 0.33 -0.24 0.15 -0.01 0.00 0.00 175.02 175.19 1yd6 s LYS 22 N -0.33 1.27 0.49 2.03 1.02 0.06 -0.76 119.74 123.52 1yd6 s LYS 22 Ca 0.41 -1.26 -0.04 0.00 0.02 0.00 0.00 55.97 55.10 1yd6 s LYS 22 Cb -0.22 -1.66 0.11 0.00 -0.52 0.00 0.00 37.83 35.53 1yd6 s LYS 22 CO 0.27 0.39 0.68 -0.40 -0.92 0.00 0.00 175.35 175.36 1yd6 n ASP 23 N 1.00 0.49 0.31 2.83 5.68 -0.44 -0.72 116.55 125.70 1yd6 n ASP 23 Ca -0.19 -1.51 0.18 0.00 -0.50 0.00 0.00 54.79 52.77 1yd6 n ASP 23 Cb 0.53 -0.48 0.99 0.00 -1.14 0.00 0.00 41.12 41.03 1yd6 n ASP 23 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1yd6 h LYS 24 N 0.00 0.00 0.00 0.11 1.57 -1.92 -1.18 116.57 115.16 1yd6 h LYS 24 Ca -0.22 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.42 1yd6 h LYS 24 Cb 0.72 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 1yd6 h LYS 24 CO 0.20 0.02 -0.68 0.45 -0.57 0.00 0.00 179.45 178.86 1yd6 h HIS 25 N 0.00 0.00 0.00 -1.35 3.86 -1.95 -3.47 115.15 112.24 1yd6 h HIS 25 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1yd6 h HIS 25 Cb 0.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.53 1yd6 h HIS 25 CO 0.00 0.65 0.00 0.41 0.86 0.00 0.00 177.93 179.85 1yd6 n GLY 26 N 1.27 0.74 3.75 2.45 0.00 -0.44 -5.09 105.19 107.86 1yd6 n GLY 26 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1yd6 n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yd6 s THR 27 N -2.00 4.13 -0.17 2.61 2.01 -1.26 -4.75 115.64 116.21 1yd6 s THR 27 Ca 0.00 2.05 -0.29 0.00 0.31 0.00 0.00 61.69 63.75 1yd6 s THR 27 Cb 0.00 -4.30 -0.01 0.00 0.01 0.00 0.00 72.50 68.19 1yd6 s THR 27 CO 0.00 0.45 1.26 -0.69 -0.69 0.00 0.00 174.62 174.94 1yd6 s VAL 28 N -0.89 4.29 -0.37 3.82 1.01 -1.26 -1.33 120.40 125.67 1yd6 s VAL 28 Ca 0.43 1.56 0.08 0.00 0.00 0.00 0.00 61.98 64.05 1yd6 s VAL 28 Cb -0.26 -4.01 -0.09 0.00 0.00 0.00 0.00 36.38 32.02 1yd6 s VAL 28 CO 0.32 -0.14 0.35 2.30 0.00 0.00 0.00 175.10 177.92 1yd6 n ILE 29 N 5.39 0.00 -3.66 2.22 -5.35 0.06 -4.41 119.36 113.60 1yd6 n ILE 29 Ca 0.14 -0.29 -0.13 0.00 -0.27 0.00 0.00 62.75 62.20 1yd6 n ILE 29 Cb 0.45 0.95 -0.08 0.00 -1.74 0.00 0.00 39.64 39.22 1yd6 n ILE 29 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1yd6 s TYR 30 N -1.85 -0.74 -0.10 4.28 5.04 -1.20 -1.28 117.35 121.50 1yd6 s TYR 30 Ca 0.03 1.73 0.03 0.00 -2.44 0.00 0.00 57.07 56.42 1yd6 s TYR 30 Cb 0.06 0.30 0.01 0.00 0.35 0.00 0.00 41.96 42.67 1yd6 s TYR 30 CO 0.35 -0.36 -0.20 0.08 -1.34 0.00 0.00 175.55 174.07 1yd6 s VAL 31 N 0.58 1.81 0.27 3.14 1.01 -1.26 -0.62 120.40 125.33 1yd6 s VAL 31 Ca -0.02 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.13 1yd6 s VAL 31 Cb -0.05 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 1yd6 s VAL 31 CO -0.03 0.50 0.22 -0.83 0.00 0.00 0.00 175.10 174.96 1yd6 s GLY 32 N 0.55 1.87 0.29 4.51 0.00 -0.86 -4.94 107.32 108.75 1yd6 s GLY 32 Ca -0.15 -1.87 0.09 0.00 0.00 0.00 0.00 44.72 42.79 1yd6 s GLY 32 CO 0.05 -1.41 -0.11 -1.59 0.00 0.00 0.00 173.10 170.03 1yd6 s LYS 33 N -3.77 1.65 -0.14 2.90 -2.85 -1.26 -1.19 119.74 115.06 1yd6 s LYS 33 Ca 0.39 -1.81 -0.21 0.00 -1.00 0.00 0.00 55.97 53.35 1yd6 s LYS 33 Cb 0.04 -1.47 0.05 0.00 -2.06 0.00 0.00 37.83 34.39 1yd6 s LYS 33 CO 0.20 0.15 0.53 0.00 0.10 0.00 0.00 175.35 176.34 1yd6 s ALA 34 N -2.76 -1.34 0.27 0.59 0.00 -0.14 -4.96 121.76 113.42 1yd6 s ALA 34 Ca 0.30 1.30 0.12 0.00 0.00 0.00 0.00 51.96 53.68 1yd6 s ALA 34 Cb 0.01 -0.57 0.45 0.00 0.00 0.00 0.00 23.12 23.01 1yd6 s ALA 34 CO 0.14 -0.28 1.66 0.87 0.00 0.00 0.00 175.76 178.14 1yd6 h LYS 35 N 4.61 0.00 -3.59 0.00 1.57 -1.89 -1.58 116.57 115.68 1yd6 h LYS 35 Ca -0.28 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 57.98 1yd6 h LYS 35 Cb 1.17 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.08 1yd6 h LYS 35 CO 0.24 0.55 -0.76 0.45 -0.57 0.00 0.00 179.45 179.36 1yd6 s SER 36 N -6.79 3.01 0.20 0.86 0.15 -1.26 -2.90 113.70 106.98 1yd6 s SER 36 Ca -0.01 -0.87 -0.10 0.00 0.70 0.00 0.00 55.95 55.67 1yd6 s SER 36 Cb 0.13 -0.64 0.23 0.00 -1.71 0.00 0.00 66.02 64.03 1yd6 s SER 36 CO 0.75 -0.31 1.80 -0.07 1.20 0.00 0.00 173.24 176.61 1yd6 h LEU 37 N 8.22 0.49 -0.15 3.45 3.38 -1.09 -0.62 115.31 129.00 1yd6 h LEU 37 Ca -0.16 0.03 0.05 0.00 0.09 0.00 0.00 57.88 57.89 1yd6 h LEU 37 Cb 1.11 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.75 1yd6 h LEU 37 CO 0.35 0.32 -0.18 0.50 0.09 0.00 0.00 178.44 179.51 1yd6 h LYS 38 N 0.63 -0.22 -0.18 1.13 3.64 -1.60 -1.03 116.57 118.94 1yd6 h LYS 38 Ca 0.29 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.66 1yd6 h LYS 38 Cb 0.20 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1yd6 h LYS 38 CO -0.19 -0.15 0.03 1.49 -2.27 0.00 0.00 179.45 178.37 1yd6 h GLU 39 N -0.23 0.29 -0.09 1.90 4.22 -1.78 -2.63 114.58 116.26 1yd6 h GLU 39 Ca 0.10 -0.08 -0.07 0.00 0.08 0.00 0.00 59.36 59.40 1yd6 h GLU 39 Cb 0.38 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1yd6 h GLU 39 CO -0.28 0.45 -0.22 -0.09 -2.18 0.00 0.00 179.01 176.69 1yd6 h ARG 40 N 0.09 0.31 -0.25 1.92 9.65 -0.98 -2.44 114.38 122.68 1yd6 h ARG 40 Ca 0.05 -0.21 0.00 0.00 -1.10 0.00 0.00 59.98 58.72 1yd6 h ARG 40 Cb 0.30 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.89 1yd6 h ARG 40 CO 0.00 0.82 0.16 0.28 2.80 0.00 0.00 179.97 184.03 1yd6 h VAL 41 N -0.15 1.07 -0.57 0.20 2.07 -1.30 -2.68 116.25 114.89 1yd6 h VAL 41 Ca -0.00 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.42 1yd6 h VAL 41 Cb 0.83 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1yd6 h VAL 41 CO 0.05 0.07 0.38 0.03 0.02 0.00 0.00 177.57 178.12 1yd6 h ARG 42 N 0.33 0.54 0.00 1.57 3.08 -1.47 -2.64 114.38 115.79 1yd6 h ARG 42 Ca 0.09 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1yd6 h ARG 42 Cb -0.02 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 1yd6 h ARG 42 CO -0.02 0.36 -0.00 0.66 -1.07 0.00 0.00 179.97 179.89 1yd6 h SER 43 N 0.56 0.00 0.79 7.04 4.64 -1.07 -0.71 113.55 124.79 1yd6 h SER 43 Ca 0.24 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.51 1yd6 h SER 43 Cb 0.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 1yd6 h SER 43 CO -0.07 0.00 -0.22 1.88 -0.87 0.00 0.00 176.83 177.56 1yd6 h TYR 44 N 0.00 0.00 -0.39 4.77 0.05 -1.56 -3.22 116.97 116.62 1yd6 h TYR 44 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1yd6 h TYR 44 Cb 0.03 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.77 1yd6 h TYR 44 CO 0.00 0.22 0.00 1.19 -1.05 0.00 0.00 178.16 178.52 1yd6 n PHE 45 N -3.46 0.52 -4.09 4.88 3.01 -0.28 -4.92 117.46 113.12 1yd6 n PHE 45 Ca -0.00 -0.39 -0.10 0.00 1.01 0.00 0.00 57.45 57.97 1yd6 n PHE 45 Cb 0.40 -0.01 -0.10 0.00 -0.01 0.00 0.00 39.48 39.75 1yd6 n PHE 45 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 1yd6 s THR 46 N -1.08 0.44 0.00 4.37 -1.32 -1.21 -5.11 115.64 111.72 1yd6 s THR 46 Ca 0.30 -1.55 0.00 0.00 -1.21 0.00 0.00 61.69 59.24 1yd6 s THR 46 Cb 0.17 -1.17 0.00 0.00 -1.51 0.00 0.00 72.50 69.98 1yd6 s THR 46 CO 0.22 -0.74 0.00 0.61 -2.21 0.00 0.00 174.62 172.50 1yd6 n GLY 47 N 0.60 0.31 3.58 6.08 0.00 -1.26 -4.88 105.19 109.62 1yd6 n GLY 47 Ca -0.17 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 1yd6 n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yd6 s THR 48 N 0.00 3.34 0.04 2.61 2.01 -1.26 -5.14 115.64 117.25 1yd6 s THR 48 Ca 0.00 -1.36 -0.03 0.00 0.31 0.00 0.00 61.69 60.61 1yd6 s THR 48 Cb 0.00 -2.59 -0.02 0.00 0.01 0.00 0.00 72.50 69.90 1yd6 s THR 48 CO 0.00 0.05 0.02 -1.00 -0.69 0.00 0.00 174.62 173.01 1yd6 s HIS 49 N -1.34 0.34 0.96 4.92 4.02 -1.26 -5.11 115.29 117.82 1yd6 s HIS 49 Ca 0.22 -0.75 -0.12 0.00 1.02 0.00 0.00 55.06 55.43 1yd6 s HIS 49 Cb -0.11 -0.25 0.16 0.00 -1.02 0.00 0.00 32.58 31.37 1yd6 s HIS 49 CO 0.14 -0.35 1.09 0.16 1.02 0.00 0.00 174.74 176.81 1yd6 s ASP 50 N -2.37 2.97 0.21 1.40 1.47 -1.26 -4.73 116.67 114.36 1yd6 s ASP 50 Ca -0.02 1.33 -0.10 0.00 1.18 0.00 0.00 52.55 54.95 1yd6 s ASP 50 Cb 0.01 -2.01 0.21 0.00 -0.34 0.00 0.00 42.92 40.79 1yd6 s ASP 50 CO -0.07 -2.93 1.82 1.23 0.68 0.00 0.00 175.17 175.90 1yd6 h GLY 51 N -1.75 0.96 0.98 2.12 0.00 -2.02 -0.17 103.07 103.19 1yd6 h GLY 51 Ca -0.52 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 46.53 1yd6 h GLY 51 CO 0.56 0.20 0.17 0.50 0.00 0.00 0.00 176.54 177.98 1yd6 h LYS 52 N 0.74 0.39 -0.04 4.80 1.57 -2.01 -2.99 116.57 119.03 1yd6 h LYS 52 Ca 0.28 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.89 1yd6 h LYS 52 Cb 0.11 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1yd6 h LYS 52 CO -0.15 0.31 -0.58 1.15 -0.57 0.00 0.00 179.45 179.61 1yd6 h THR 53 N 0.37 1.40 -0.47 -0.16 2.02 -1.83 -2.94 112.91 111.29 1yd6 h THR 53 Ca 0.10 -1.96 -0.03 0.00 0.77 0.00 0.00 66.41 65.29 1yd6 h THR 53 Cb 0.01 2.02 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 1yd6 h THR 53 CO -0.02 0.57 0.17 1.56 0.37 0.00 0.00 175.52 178.17 1yd6 h GLN 54 N 0.10 0.68 -0.83 6.66 1.08 -0.90 -0.79 115.11 121.11 1yd6 h GLN 54 Ca -0.00 -0.10 -0.03 0.00 -1.45 0.00 0.00 58.65 57.06 1yd6 h GLN 54 Cb 1.05 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 28.32 1yd6 h GLN 54 CO 0.08 0.58 0.40 0.00 -0.95 0.00 0.00 178.83 178.94 1yd6 h ARG 55 N 0.68 1.20 0.17 1.46 2.47 -1.40 0.98 114.38 119.93 1yd6 h ARG 55 Ca 0.16 -0.18 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 1yd6 h ARG 55 Cb 0.17 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.28 1yd6 h ARG 55 CO -0.01 0.92 -0.08 1.25 0.56 0.00 0.00 179.97 182.61 1yd6 h LEU 56 N 1.18 -0.19 -0.54 3.04 5.85 -1.41 -3.00 115.31 120.23 1yd6 h LEU 56 Ca 0.29 -0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.94 1yd6 h LEU 56 Cb 0.12 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 1yd6 h LEU 56 CO -0.04 0.02 0.21 0.58 -0.34 0.00 0.00 178.44 178.87 1yd6 h VAL 57 N -0.40 0.83 -0.97 1.05 2.07 -0.84 0.21 116.25 118.19 1yd6 h VAL 57 Ca -0.02 -0.14 0.16 0.00 0.82 0.00 0.00 66.70 67.52 1yd6 h VAL 57 Cb 0.32 0.40 -0.09 0.00 -1.52 0.00 0.00 31.29 30.39 1yd6 h VAL 57 CO 0.04 0.07 0.61 -0.33 0.02 0.00 0.00 177.57 177.98 1yd6 h GLU 58 N 0.40 0.75 0.00 1.57 5.08 -0.78 -2.66 114.58 118.93 1yd6 h GLU 58 Ca 0.26 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1yd6 h GLU 58 Cb 0.28 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1yd6 h GLU 58 CO -0.25 0.50 -0.39 0.39 -1.00 0.00 0.00 179.01 178.26 1yd6 n GLU 59 N -4.65 0.05 -2.17 2.33 1.02 0.02 -4.89 120.64 112.35 1yd6 n GLU 59 Ca 0.21 0.02 -0.42 0.00 -0.02 0.00 0.00 57.16 56.94 1yd6 n GLU 59 Cb 0.51 -1.54 -0.03 0.00 -0.02 0.00 0.00 31.44 30.37 1yd6 n GLU 59 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1yd6 s ILE 60 N -3.03 3.83 -0.03 -3.67 1.01 -0.96 -4.24 121.20 114.11 1yd6 s ILE 60 Ca 0.11 1.03 0.13 0.00 0.00 0.00 0.00 60.65 61.93 1yd6 s ILE 60 Cb 0.17 -3.67 -0.20 0.00 0.01 0.00 0.00 42.46 38.77 1yd6 s ILE 60 CO 0.66 -0.08 0.26 0.00 0.00 0.00 0.00 174.94 175.78 1yd6 n ALA 61 N 6.75 2.39 -3.78 9.38 0.00 0.10 -4.96 120.51 130.39 1yd6 n ALA 61 Ca 0.16 -0.38 -0.08 0.00 0.00 0.00 0.00 53.44 53.13 1yd6 n ALA 61 Cb 0.44 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.49 1yd6 n ALA 61 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1yd6 s ASP 62 N -3.66 -0.07 0.12 0.00 2.15 -1.02 -4.98 116.67 109.20 1yd6 s ASP 62 Ca -0.05 -0.95 -0.22 0.00 0.43 0.00 0.00 52.55 51.76 1yd6 s ASP 62 Cb 0.08 0.79 0.06 0.00 -0.30 0.00 0.00 42.92 43.55 1yd6 s ASP 62 CO 0.55 -1.53 0.56 0.72 -0.17 0.00 0.00 175.17 175.30 1yd6 s PHE 63 N -3.00 -0.47 0.18 -5.34 -0.12 -1.26 -0.76 117.98 107.20 1yd6 s PHE 63 Ca 0.14 0.35 0.05 0.00 -0.05 0.00 0.00 56.93 57.43 1yd6 s PHE 63 Cb -0.05 0.46 -0.05 0.00 -0.63 0.00 0.00 43.02 42.75 1yd6 s PHE 63 CO 0.10 -0.77 -0.10 -2.00 -0.05 0.00 0.00 175.22 172.40 1yd6 s GLU 64 N -3.30 1.18 0.08 1.99 2.12 -0.40 -4.98 118.70 115.39 1yd6 s GLU 64 Ca -0.01 -1.53 -0.03 0.00 0.36 0.00 0.00 54.97 53.76 1yd6 s GLU 64 Cb -0.00 -0.78 -0.03 0.00 0.26 0.00 0.00 34.13 33.58 1yd6 s GLU 64 CO -0.09 0.08 0.06 1.52 -0.54 0.00 0.00 175.26 176.29 1yd6 s TYR 65 N -3.23 0.52 -0.09 5.30 -0.85 -1.26 -0.78 117.35 116.97 1yd6 s TYR 65 Ca 0.20 -1.00 -0.01 0.00 -0.52 0.00 0.00 57.07 55.75 1yd6 s TYR 65 Cb 0.02 -0.32 0.03 0.00 0.38 0.00 0.00 41.96 42.06 1yd6 s TYR 65 CO 0.04 -0.47 -0.03 0.42 -1.52 0.00 0.00 175.55 173.98 1yd6 s ILE 66 N -3.94 0.64 0.23 -3.49 1.01 0.11 -5.00 121.20 110.75 1yd6 s ILE 66 Ca 0.11 -0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.41 1yd6 s ILE 66 Cb 0.07 -0.73 -0.09 0.00 0.01 0.00 0.00 42.46 41.72 1yd6 s ILE 66 CO -0.07 0.30 0.95 0.68 0.00 0.00 0.00 174.94 176.80 1yd6 s VAL 67 N 1.79 4.09 0.42 2.92 -7.23 -1.26 -1.06 120.40 120.06 1yd6 s VAL 67 Ca 0.04 2.07 0.07 0.00 -1.81 0.00 0.00 61.98 62.35 1yd6 s VAL 67 Cb -0.13 -4.31 -0.04 0.00 0.56 0.00 0.00 36.38 32.46 1yd6 s VAL 67 CO -0.06 0.48 0.25 0.42 -0.31 0.00 0.00 175.10 175.88 1yd6 s THR 68 N -1.07 2.39 0.00 5.32 -4.23 -0.50 -4.93 115.64 112.62 1yd6 s THR 68 Ca 0.42 -1.58 0.00 0.00 -1.18 0.00 0.00 61.69 59.35 1yd6 s THR 68 Cb -0.26 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.61 1yd6 s THR 68 CO 0.32 0.00 0.68 -1.54 -0.54 0.00 0.00 174.62 173.54 1yd6 n SER 69 N -1.35 1.21 -3.47 3.99 3.41 -1.26 -4.62 113.62 111.53 1yd6 n SER 69 Ca 0.00 -1.45 -0.13 0.00 -0.26 0.00 0.00 58.87 57.04 1yd6 n SER 69 Cb 0.64 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.55 1yd6 n SER 69 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1yd6 s SER 70 N -0.45 -0.54 0.22 4.04 1.04 -1.26 -5.01 113.70 111.74 1yd6 s SER 70 Ca 0.00 0.21 -0.08 0.00 0.48 0.00 0.00 55.95 56.57 1yd6 s SER 70 Cb 0.00 0.52 0.29 0.00 0.10 0.00 0.00 66.02 66.93 1yd6 s SER 70 CO 0.00 -0.76 1.81 0.78 0.98 0.00 0.00 173.24 176.05 1yd6 h ASN 71 N 2.29 0.62 0.37 7.02 2.35 -1.99 -1.35 115.58 124.88 1yd6 h ASN 71 Ca -0.29 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.49 1yd6 h ASN 71 Cb 1.24 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.51 1yd6 h ASN 71 CO 0.36 0.39 -0.31 0.00 -1.65 0.00 0.00 177.43 176.22 1yd6 h ALA 72 N 1.38 -0.69 -0.73 -0.83 0.00 -2.00 -2.44 119.26 113.95 1yd6 h ALA 72 Ca 0.33 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.25 1yd6 h ALA 72 Cb 0.22 0.42 -0.09 0.00 0.00 0.00 0.00 17.79 18.35 1yd6 h ALA 72 CO -0.20 -0.92 0.31 1.49 0.00 0.00 0.00 179.25 179.94 1yd6 h GLU 73 N -0.68 0.48 -0.82 0.00 4.81 -1.91 -1.31 114.58 115.15 1yd6 h GLU 73 Ca -0.03 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1yd6 h GLU 73 Cb 0.60 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.83 1yd6 h GLU 73 CO -0.02 0.32 0.47 0.00 -0.73 0.00 0.00 179.01 179.04 1yd6 h ALA 74 N 1.50 1.05 0.05 2.92 0.00 -1.06 0.20 119.26 123.92 1yd6 h ALA 74 Ca 0.39 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1yd6 h ALA 74 Cb 0.53 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1yd6 h ALA 74 CO -0.35 0.54 -0.03 1.25 0.00 0.00 0.00 179.25 180.66 1yd6 h LEU 75 N 1.13 -0.06 -0.50 0.00 7.12 -1.03 -1.17 115.31 120.80 1yd6 h LEU 75 Ca 0.29 -0.19 -0.00 0.00 0.13 0.00 0.00 57.88 58.11 1yd6 h LEU 75 Cb -0.01 0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 40.12 1yd6 h LEU 75 CO -0.05 0.15 0.30 0.40 -0.13 0.00 0.00 178.44 179.11 1yd6 h ILE 76 N -0.28 1.15 -0.36 4.05 2.04 -0.91 -2.24 117.51 120.96 1yd6 h ILE 76 Ca -0.01 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 1yd6 h ILE 76 Cb 0.25 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1yd6 h ILE 76 CO 0.01 0.16 0.22 0.25 0.00 0.00 0.00 178.15 178.79 1yd6 h LEU 77 N 0.67 0.42 -0.59 1.44 5.85 -0.58 -2.02 115.31 120.51 1yd6 h LEU 77 Ca 0.18 -0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.95 1yd6 h LEU 77 Cb -0.01 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 40.84 1yd6 h LEU 77 CO -0.03 0.34 0.20 -0.08 -0.34 0.00 0.00 178.44 178.52 1yd6 h GLU 78 N 0.47 0.36 -0.43 1.25 4.81 -0.91 0.17 114.58 120.31 1yd6 h GLU 78 Ca 0.13 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.22 1yd6 h GLU 78 Cb -0.01 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1yd6 h GLU 78 CO -0.03 0.24 -0.21 0.52 -0.73 0.00 0.00 179.01 178.80 1yd6 h MET 79 N 0.37 0.86 -0.50 1.92 2.86 -1.11 -1.65 114.93 117.68 1yd6 h MET 79 Ca 0.30 -0.35 -0.11 0.00 -2.06 0.00 0.00 59.70 57.48 1yd6 h MET 79 Cb 0.37 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 1yd6 h MET 79 CO -0.31 0.99 -0.12 -0.91 1.06 0.00 0.00 176.91 177.62 1yd6 h ASN 80 N 0.74 0.93 -0.69 1.22 2.35 -0.78 -2.02 115.58 117.34 1yd6 h ASN 80 Ca 0.10 -0.30 -0.07 0.00 -0.55 0.00 0.00 56.30 55.48 1yd6 h ASN 80 Cb 0.75 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.84 1yd6 h ASN 80 CO 0.06 1.06 0.15 -0.07 -1.65 0.00 0.00 177.43 176.97 1yd6 h LEU 81 N 0.83 1.07 -0.25 1.61 3.38 -0.47 -0.44 115.31 121.04 1yd6 h LEU 81 Ca 0.13 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1yd6 h LEU 81 Cb 0.66 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1yd6 h LEU 81 CO 0.05 1.04 0.09 0.40 0.09 0.00 0.00 178.44 180.10 1yd6 h ILE 82 N 1.05 1.18 -0.38 1.22 2.04 -1.17 -0.58 117.51 120.88 1yd6 h ILE 82 Ca 0.21 -0.58 0.04 0.00 1.00 0.00 0.00 64.86 65.54 1yd6 h ILE 82 Cb 0.40 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 1yd6 h ILE 82 CO 0.01 0.19 0.14 0.50 0.00 0.00 0.00 178.15 178.98 1yd6 h LYS 83 N 0.25 0.29 -0.24 2.37 1.63 -1.28 0.65 116.57 120.24 1yd6 h LYS 83 Ca 0.08 -0.02 0.03 0.00 -0.85 0.00 0.00 60.65 59.90 1yd6 h LYS 83 Cb 0.21 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.74 1yd6 h LYS 83 CO -0.00 0.19 0.04 -0.22 -3.45 0.00 0.00 179.45 176.00 1yd6 h LYS 84 N 0.30 0.12 0.00 1.90 3.64 -0.80 -3.33 116.57 118.40 1yd6 h LYS 84 Ca 0.17 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1yd6 h LYS 84 Cb 0.14 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1yd6 h LYS 84 CO -0.17 0.08 -1.05 0.72 -2.27 0.00 0.00 179.45 176.76 1yd6 n HIS 85 N -5.10 0.00 -4.09 1.91 8.25 -0.25 -5.00 115.22 110.94 1yd6 n HIS 85 Ca -0.02 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.06 1yd6 n HIS 85 Cb 0.11 -0.11 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 1yd6 n HIS 85 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1yd6 n ASP 86 N -1.59 -2.31 -4.74 0.41 2.03 0.23 -4.78 116.55 105.80 1yd6 n ASP 86 Ca 0.01 -1.19 -0.41 0.00 0.52 0.00 0.00 54.79 53.72 1yd6 n ASP 86 Cb 0.30 -1.44 -0.02 0.00 -0.72 0.00 0.00 41.12 39.24 1yd6 n ASP 86 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 1yd6 s PRO 87 N -7.20 4.26 0.30 -0.67 0.02 -1.26 -4.92 135.00 125.53 1yd6 s PRO 87 Ca 0.32 2.32 0.02 0.00 0.02 0.00 0.00 61.00 63.67 1yd6 s PRO 87 Cb -0.18 -3.11 0.57 0.00 0.02 0.00 0.00 34.50 31.80 1yd6 s PRO 87 CO 0.90 -0.44 1.88 1.57 -0.33 0.00 0.00 177.00 180.58 1yd6 h LYS 88 N 5.07 0.96 0.00 5.54 2.10 -1.76 -2.00 116.57 126.47 1yd6 h LYS 88 Ca -0.46 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 1yd6 h LYS 88 Cb 1.22 -0.22 0.00 0.00 -0.90 0.00 0.00 32.23 32.33 1yd6 h LYS 88 CO 0.78 0.63 0.00 1.88 -2.00 0.00 0.00 179.45 180.75 1yd6 h TYR 89 N 0.99 0.00 -0.12 0.07 0.05 -1.54 -1.64 116.97 114.78 1yd6 h TYR 89 Ca 0.43 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 59.10 1yd6 h TYR 89 Cb 0.35 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 1yd6 h TYR 89 CO -0.00 0.00 -0.44 -0.91 -1.05 0.00 0.00 178.16 175.76 1yd6 h ASN 90 N 0.00 0.29 0.15 3.88 4.21 -1.53 0.70 115.58 123.27 1yd6 h ASN 90 Ca 0.00 -0.13 -0.01 0.00 1.21 0.00 0.00 56.30 57.38 1yd6 h ASN 90 Cb 0.72 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.84 1yd6 h ASN 90 CO 0.00 0.69 -0.07 0.58 -1.29 0.00 0.00 177.43 177.34 1yd6 h VAL 91 N 0.22 1.00 0.00 2.81 2.07 -1.32 -3.01 116.25 118.02 1yd6 h VAL 91 Ca 0.02 -0.98 -0.13 0.00 0.82 0.00 0.00 66.70 66.42 1yd6 h VAL 91 Cb 0.86 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 1yd6 h VAL 91 CO 0.07 0.22 -0.64 0.24 0.02 0.00 0.00 177.57 177.48 1yd6 h MET 92 N -0.70 0.00 -0.02 1.57 2.86 -1.27 -2.99 114.93 114.39 1yd6 h MET 92 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1yd6 h MET 92 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1yd6 h MET 92 CO 0.03 0.64 -0.09 1.28 1.06 0.00 0.00 176.91 179.83 1yd6 n LEU 93 N -3.73 1.65 0.00 1.22 4.77 0.23 -5.08 117.00 116.07 1yd6 n LEU 93 Ca -0.01 -0.54 0.05 0.00 -0.03 0.00 0.00 56.01 55.49 1yd6 n LEU 93 Cb 0.64 -0.03 0.32 0.00 -2.33 0.00 0.00 43.42 42.02 1yd6 n LEU 93 CO 0.42 0.28 0.54 0.29 -1.33 0.00 0.00 177.39 177.59