#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yd6 h LEU 9 N 0.00 0.55 -0.96 -0.35 3.38 -2.00 -1.62 115.31 114.30 1yd6 h LEU 9 Ca 0.00 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 1yd6 h LEU 9 Cb 0.00 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1yd6 h LEU 9 CO 0.00 0.26 -0.42 0.00 0.09 0.00 0.00 178.44 178.37 1yd6 h ALA 10 N 1.61 1.03 -0.01 1.53 0.00 -2.05 -3.12 119.26 118.25 1yd6 h ALA 10 Ca 0.44 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1yd6 h ALA 10 Cb 0.87 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1yd6 h ALA 10 CO -0.19 0.52 -0.30 0.28 0.00 0.00 0.00 179.25 179.56 1yd6 n VAL 11 N -3.63 0.00 -1.72 0.00 0.31 -0.65 -4.95 118.33 107.69 1yd6 n VAL 11 Ca -0.01 -0.21 -0.43 0.00 -0.01 0.00 0.00 64.34 63.69 1yd6 n VAL 11 Cb 0.51 0.79 -0.02 0.00 -0.91 0.00 0.00 33.84 34.21 1yd6 n VAL 11 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1yd6 n LEU 12 N -0.23 3.93 -4.91 7.52 4.77 -0.99 -4.98 117.00 122.12 1yd6 n LEU 12 Ca 0.12 1.11 -0.28 0.00 -0.03 0.00 0.00 56.01 56.93 1yd6 n LEU 12 Cb 0.41 -1.55 -0.03 0.00 -2.33 0.00 0.00 43.42 39.92 1yd6 n LEU 12 CO 0.25 0.02 0.21 -2.16 -1.33 0.00 0.00 177.39 174.39 1yd6 s PRO 13 N 0.19 3.62 -1.25 3.23 0.04 -1.26 -4.63 135.00 134.93 1yd6 s PRO 13 Ca 0.70 -0.01 -0.12 0.00 0.04 0.00 0.00 61.00 61.61 1yd6 s PRO 13 Cb -0.54 -2.64 0.16 0.00 0.04 0.00 0.00 34.50 31.52 1yd6 s PRO 13 CO 0.42 0.19 1.66 0.39 0.04 0.00 0.00 177.00 179.71 1yd6 n GLU 14 N -1.04 3.43 -3.95 4.56 1.02 -1.26 -1.64 120.64 121.77 1yd6 n GLU 14 Ca -0.02 -3.64 -0.09 0.00 -0.02 0.00 0.00 57.16 53.40 1yd6 n GLU 14 Cb 0.54 -3.04 -0.09 0.00 -0.02 0.00 0.00 31.44 28.83 1yd6 n GLU 14 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1yd6 s GLN 15 N 1.36 0.64 0.90 3.49 -0.21 -1.26 -4.94 119.66 119.64 1yd6 s GLN 15 Ca 0.43 -0.90 -0.12 0.00 0.02 0.00 0.00 55.36 54.79 1yd6 s GLN 15 Cb 0.03 0.25 0.13 0.00 1.00 0.00 0.00 33.01 34.42 1yd6 s GLN 15 CO 0.00 -0.16 1.11 -1.25 -2.12 0.00 0.00 175.29 172.88 1yd6 s PRO 16 N -3.15 1.24 0.00 2.91 0.04 -1.07 -1.45 135.00 133.51 1yd6 s PRO 16 Ca -0.00 0.48 0.00 0.00 0.04 0.00 0.00 61.00 61.51 1yd6 s PRO 16 Cb 0.02 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1yd6 s PRO 16 CO -0.07 -2.17 0.00 0.41 0.04 0.00 0.00 177.00 175.21 1yd6 n GLY 17 N -1.84 -0.40 3.29 0.56 0.00 -0.14 -1.02 105.19 105.65 1yd6 n GLY 17 Ca 0.06 -1.28 -0.25 0.00 0.00 0.00 0.00 46.02 44.56 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 1.87 -0.29 0.00 -0.85 -0.79 -0.05 117.35 116.18 1yd6 s TYR 19 Ca 0.07 -0.38 0.02 0.00 -0.52 0.00 0.00 57.07 56.26 1yd6 s TYR 19 Cb -0.10 -1.10 0.07 0.00 0.38 0.00 0.00 41.96 41.21 1yd6 s TYR 19 CO 0.04 0.12 -0.03 -0.51 -1.52 0.00 0.00 175.55 173.64 1yd6 s LEU 20 N -1.31 3.95 0.15 -3.49 1.02 -0.08 -1.31 118.68 117.61 1yd6 s LEU 20 Ca 0.08 -1.59 -0.30 0.00 0.02 0.00 0.00 54.13 52.34 1yd6 s LEU 20 Cb -0.09 -1.61 -0.07 0.00 0.02 0.00 0.00 46.19 44.44 1yd6 s LEU 20 CO 0.02 -0.27 1.01 -0.04 0.02 0.00 0.00 176.35 177.10 1yd6 s MET 21 N 1.08 4.67 0.26 1.70 -1.94 0.14 -2.37 119.30 122.85 1yd6 s MET 21 Ca -0.03 1.56 0.10 0.00 -1.71 0.00 0.00 55.69 55.61 1yd6 s MET 21 Cb -0.20 -3.33 -0.05 0.00 2.01 0.00 0.00 34.83 33.26 1yd6 s MET 21 CO -0.05 0.19 -0.16 0.15 -0.01 0.00 0.00 175.02 175.14 1yd6 s LYS 22 N -0.24 1.58 0.97 2.03 1.02 0.53 -0.46 119.74 125.16 1yd6 s LYS 22 Ca 0.47 -1.74 -0.12 0.00 0.02 0.00 0.00 55.97 54.61 1yd6 s LYS 22 Cb -0.26 -1.51 0.17 0.00 -0.52 0.00 0.00 37.83 35.71 1yd6 s LYS 22 CO 0.32 0.24 1.10 -0.51 -0.92 0.00 0.00 175.35 175.57 1yd6 s ASP 23 N -3.46 2.93 0.36 2.83 1.01 0.12 -0.51 116.67 119.96 1yd6 s ASP 23 Ca 0.28 1.20 0.12 0.00 0.71 0.00 0.00 52.55 54.86 1yd6 s ASP 23 Cb -0.02 -1.86 0.69 0.00 1.01 0.00 0.00 42.92 42.74 1yd6 s ASP 23 CO 0.12 -2.94 1.81 0.07 0.21 0.00 0.00 175.17 174.44 1yd6 h LYS 24 N -1.76 0.04 -0.00 8.23 2.10 -1.91 -2.76 116.57 120.51 1yd6 h LYS 24 Ca -0.53 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.10 1yd6 h LYS 24 Cb 1.32 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 1yd6 h LYS 24 CO 0.58 0.40 -0.02 0.72 -2.00 0.00 0.00 179.45 179.14 1yd6 n HIS 25 N -4.09 0.00 0.00 0.07 8.25 -1.26 -4.91 115.22 113.28 1yd6 n HIS 25 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1yd6 n HIS 25 Cb 0.41 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 31.16 1yd6 n HIS 25 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1yd6 n GLY 26 N 1.37 0.39 3.79 -1.41 0.00 -1.04 -5.08 105.19 103.21 1yd6 n GLY 26 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 4.12 -0.38 2.61 2.01 -1.26 -4.68 115.64 116.05 1yd6 s THR 27 Ca 0.00 1.55 -0.28 0.00 0.31 0.00 0.00 61.69 63.27 1yd6 s THR 27 Cb 0.00 -3.76 0.02 0.00 0.01 0.00 0.00 72.50 68.77 1yd6 s THR 27 CO 0.00 -0.07 1.04 -0.69 -0.69 0.00 0.00 174.62 174.22 1yd6 s VAL 28 N -1.83 4.44 -0.37 3.82 1.01 -1.26 0.14 120.40 126.35 1yd6 s VAL 28 Ca 0.57 1.40 0.18 0.00 0.00 0.00 0.00 61.98 64.13 1yd6 s VAL 28 Cb -0.16 -4.45 -0.24 0.00 0.00 0.00 0.00 36.38 31.53 1yd6 s VAL 28 CO 0.21 -0.66 0.55 2.30 0.00 0.00 0.00 175.10 177.50 1yd6 n ILE 29 N 6.20 0.00 -3.68 2.22 -5.35 0.39 -4.40 119.36 114.74 1yd6 n ILE 29 Ca 0.10 -0.27 -0.12 0.00 -0.27 0.00 0.00 62.75 62.19 1yd6 n ILE 29 Cb 0.48 0.48 -0.09 0.00 -1.74 0.00 0.00 39.64 38.77 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 -3.01 -0.67 -0.17 4.28 5.04 -1.00 -1.71 117.35 120.10 1yd6 s TYR 30 Ca -0.01 1.55 -0.02 0.00 -2.44 0.00 0.00 57.07 56.15 1yd6 s TYR 30 Cb 0.12 0.28 -0.01 0.00 0.35 0.00 0.00 41.96 42.70 1yd6 s TYR 30 CO 0.74 -0.34 -0.10 0.08 -1.34 0.00 0.00 175.55 174.60 1yd6 s VAL 31 N 0.67 3.15 0.26 3.14 1.01 -1.26 0.26 120.40 127.63 1yd6 s VAL 31 Ca -0.03 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.40 1yd6 s VAL 31 Cb -0.05 -2.37 -0.06 0.00 0.00 0.00 0.00 36.38 33.90 1yd6 s VAL 31 CO -0.04 0.49 -0.02 -0.83 0.00 0.00 0.00 175.10 174.69 1yd6 s GLY 32 N 0.85 1.71 -0.06 4.51 0.00 -0.42 -4.96 107.32 108.95 1yd6 s GLY 32 Ca -0.03 -1.85 0.03 0.00 0.00 0.00 0.00 44.72 42.87 1yd6 s GLY 32 CO 0.01 -1.75 -0.13 1.25 0.00 0.00 0.00 173.10 172.47 1yd6 s LYS 33 N -3.81 2.60 -0.03 2.90 2.20 -1.26 -1.89 119.74 120.46 1yd6 s LYS 33 Ca 0.29 -0.67 0.04 0.00 -0.36 0.00 0.00 55.97 55.27 1yd6 s LYS 33 Cb 0.05 -2.43 -0.00 0.00 -1.51 0.00 0.00 37.83 33.94 1yd6 s LYS 33 CO 0.10 0.60 -0.14 0.00 -0.36 0.00 0.00 175.35 175.56 1yd6 s ALA 34 N -0.67 1.26 0.32 3.13 0.00 0.06 -4.99 121.76 120.87 1yd6 s ALA 34 Ca 0.10 -0.58 0.12 0.00 0.00 0.00 0.00 51.96 51.60 1yd6 s ALA 34 Cb -0.11 -0.40 0.57 0.00 0.00 0.00 0.00 23.12 23.17 1yd6 s ALA 34 CO 0.01 0.25 1.73 0.87 0.00 0.00 0.00 175.76 178.62 1yd6 h LYS 35 N 6.15 0.00 -2.87 0.00 1.57 -1.87 -0.34 116.57 119.22 1yd6 h LYS 35 Ca -0.34 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.04 1yd6 h LYS 35 Cb 1.17 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 33.09 1yd6 h LYS 35 CO 0.48 0.48 -0.70 0.45 -0.57 0.00 0.00 179.45 179.59 1yd6 s SER 36 N -6.87 1.95 0.19 0.86 0.15 -1.26 -2.61 113.70 106.11 1yd6 s SER 36 Ca -0.02 -0.44 -0.12 0.00 0.70 0.00 0.00 55.95 56.06 1yd6 s SER 36 Cb 0.13 -0.01 0.18 0.00 -1.71 0.00 0.00 66.02 64.62 1yd6 s SER 36 CO 0.74 -0.34 1.76 -0.07 1.20 0.00 0.00 173.24 176.53 1yd6 h LEU 37 N 8.38 0.23 0.09 3.45 3.38 -1.33 -2.03 115.31 127.49 1yd6 h LEU 37 Ca -0.16 0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1yd6 h LEU 37 Cb 1.15 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 1yd6 h LEU 37 CO 0.28 0.16 -0.45 0.50 0.09 0.00 0.00 178.44 179.02 1yd6 h LYS 38 N 0.40 -0.61 0.69 1.13 3.64 -1.57 -0.99 116.57 119.26 1yd6 h LYS 38 Ca 0.25 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.64 1yd6 h LYS 38 Cb 0.25 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1yd6 h LYS 38 CO -0.23 -0.40 -0.48 0.93 -2.27 0.00 0.00 179.45 176.99 1yd6 h GLU 39 N -0.63 -1.08 -0.12 1.90 4.39 -1.85 -2.90 114.58 114.30 1yd6 h GLU 39 Ca -0.00 0.07 0.05 0.00 0.34 0.00 0.00 59.36 59.82 1yd6 h GLU 39 Cb 0.64 0.24 -0.06 0.00 -0.10 0.00 0.00 28.75 29.47 1yd6 h GLU 39 CO -0.25 -0.72 -0.30 0.00 -1.16 0.00 0.00 179.01 176.58 1yd6 h ARG 40 N -1.12 -0.37 -0.29 2.33 2.47 -1.26 0.54 114.38 116.68 1yd6 h ARG 40 Ca -0.09 0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.65 1yd6 h ARG 40 Cb 0.92 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.31 1yd6 h ARG 40 CO 0.06 -0.24 0.16 0.28 0.56 0.00 0.00 179.97 180.78 1yd6 h VAL 41 N -0.38 1.12 -0.70 2.04 2.07 -1.27 -2.67 116.25 116.46 1yd6 h VAL 41 Ca 0.09 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1yd6 h VAL 41 Cb 0.53 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1yd6 h VAL 41 CO -0.33 0.12 0.42 0.03 0.02 0.00 0.00 177.57 177.82 1yd6 h ARG 42 N 0.35 0.95 -0.95 1.57 3.08 -1.26 -2.68 114.38 115.44 1yd6 h ARG 42 Ca 0.10 -0.08 0.28 0.00 0.07 0.00 0.00 59.98 60.35 1yd6 h ARG 42 Cb 0.05 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 29.86 1yd6 h ARG 42 CO -0.02 0.67 0.69 0.66 -1.07 0.00 0.00 179.97 180.90 1yd6 h SER 43 N 0.96 0.00 0.35 7.04 4.64 -0.53 -0.77 113.55 125.26 1yd6 h SER 43 Ca 0.25 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.54 1yd6 h SER 43 Cb -0.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1yd6 h SER 43 CO -0.05 0.00 -0.14 1.88 -0.87 0.00 0.00 176.83 177.65 1yd6 h TYR 44 N 0.00 0.00 -0.20 4.77 0.05 -1.53 -3.07 116.97 116.99 1yd6 h TYR 44 Ca 0.45 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 59.14 1yd6 h TYR 44 Cb 1.82 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 39.51 1yd6 h TYR 44 CO 0.00 0.14 -0.20 1.19 -1.05 0.00 0.00 178.16 178.25 1yd6 n PHE 45 N -3.76 0.64 -3.70 4.88 3.01 -0.30 -4.95 117.46 113.29 1yd6 n PHE 45 Ca -0.02 -1.46 -0.14 0.00 1.01 0.00 0.00 57.45 56.84 1yd6 n PHE 45 Cb 0.25 -0.37 -0.08 0.00 -0.01 0.00 0.00 39.48 39.27 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 -3.18 0.05 0.07 4.37 -1.32 -1.16 -5.11 115.64 109.35 1yd6 s THR 46 Ca 0.41 -0.39 0.00 0.00 -1.21 0.00 0.00 61.69 60.51 1yd6 s THR 46 Cb 0.38 -0.76 0.00 0.00 -1.51 0.00 0.00 72.50 70.61 1yd6 s THR 46 CO -0.01 -0.21 0.00 0.61 -2.21 0.00 0.00 174.62 172.79 1yd6 n GLY 47 N 1.04 -1.85 3.90 6.08 0.00 -1.26 -4.87 105.19 108.22 1yd6 n GLY 47 Ca -0.20 -1.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.22 1yd6 n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1yd6 s THR 48 N -0.75 2.05 -0.05 2.61 -4.23 -1.26 -5.10 115.64 108.91 1yd6 s THR 48 Ca 0.00 0.01 -0.17 0.00 -1.18 0.00 0.00 61.69 60.35 1yd6 s THR 48 Cb 0.00 -3.02 0.03 0.00 1.34 0.00 0.00 72.50 70.86 1yd6 s THR 48 CO 0.00 -0.02 0.37 -1.00 -0.54 0.00 0.00 174.62 173.43 1yd6 s HIS 49 N -3.57 -0.29 0.84 3.99 4.02 -1.26 -5.10 115.29 113.92 1yd6 s HIS 49 Ca 0.62 0.54 -0.10 0.00 1.02 0.00 0.00 55.06 57.14 1yd6 s HIS 49 Cb -0.11 0.15 0.10 0.00 -1.02 0.00 0.00 32.58 31.70 1yd6 s HIS 49 CO 0.49 -0.38 1.12 0.16 1.02 0.00 0.00 174.74 177.15 1yd6 s ASP 50 N -0.98 3.72 0.10 1.40 -4.77 -1.26 -4.76 116.67 110.12 1yd6 s ASP 50 Ca -0.10 2.02 -0.26 0.00 -3.30 0.00 0.00 52.55 50.91 1yd6 s ASP 50 Cb -0.04 -2.55 -0.12 0.00 -1.09 0.00 0.00 42.92 39.12 1yd6 s ASP 50 CO 0.04 -2.57 1.68 1.23 0.70 0.00 0.00 175.17 176.25 1yd6 h GLY 51 N -1.46 -0.33 0.18 2.12 0.00 -2.01 0.13 103.07 101.71 1yd6 h GLY 51 Ca -0.43 0.18 0.12 0.00 0.00 0.00 0.00 47.33 47.19 1yd6 h GLY 51 CO 0.46 -0.16 0.15 0.50 0.00 0.00 0.00 176.54 177.50 1yd6 h LYS 52 N -0.34 0.27 -0.19 4.80 1.57 -2.01 -1.29 116.57 119.38 1yd6 h LYS 52 Ca 0.00 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 1yd6 h LYS 52 Cb 0.32 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1yd6 h LYS 52 CO -0.04 0.18 -0.42 1.15 -0.57 0.00 0.00 179.45 179.75 1yd6 h THR 53 N 0.28 1.31 -0.83 -0.16 2.02 -1.88 -3.16 112.91 110.48 1yd6 h THR 53 Ca 0.33 -1.58 -0.03 0.00 0.77 0.00 0.00 66.41 65.89 1yd6 h THR 53 Cb 0.48 1.63 -0.04 0.00 -1.74 0.00 0.00 68.15 68.48 1yd6 h THR 53 CO -0.40 0.49 0.40 -0.61 0.37 0.00 0.00 175.52 175.77 1yd6 h GLN 54 N 0.36 1.20 -0.13 6.66 4.15 0.37 -2.30 115.11 125.43 1yd6 h GLN 54 Ca 0.03 -0.18 -0.00 0.00 0.77 0.00 0.00 58.65 59.27 1yd6 h GLN 54 Cb 0.89 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 28.36 1yd6 h GLN 54 CO 0.07 0.92 0.07 0.00 -1.93 0.00 0.00 178.83 177.97 1yd6 h ARG 55 N 1.19 0.18 -0.59 1.69 3.08 -1.32 -2.13 114.38 116.48 1yd6 h ARG 55 Ca 0.29 -0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.43 1yd6 h ARG 55 Cb 0.12 -0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.04 1yd6 h ARG 55 CO -0.04 0.20 0.06 1.25 -1.07 0.00 0.00 179.97 180.37 1yd6 h LEU 56 N 0.10 -0.14 -0.54 3.04 5.85 -1.52 -2.04 115.31 120.06 1yd6 h LEU 56 Ca 0.04 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.93 1yd6 h LEU 56 Cb 0.08 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1yd6 h LEU 56 CO -0.01 -0.06 0.31 0.58 -0.34 0.00 0.00 178.44 178.93 1yd6 h VAL 57 N 0.17 1.03 -0.12 1.05 2.07 -1.01 0.25 116.25 119.69 1yd6 h VAL 57 Ca 0.31 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.58 1yd6 h VAL 57 Cb 0.48 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1yd6 h VAL 57 CO -0.46 0.11 -0.12 -0.33 0.02 0.00 0.00 177.57 176.79 1yd6 h GLU 58 N 0.61 0.19 0.00 1.57 3.07 -0.98 -2.74 114.58 116.29 1yd6 h GLU 58 Ca 0.22 -0.04 -0.16 0.00 -0.50 0.00 0.00 59.36 58.89 1yd6 h GLU 58 Cb 0.06 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.92 1yd6 h GLU 58 CO -0.12 0.32 -0.78 1.49 -1.40 0.00 0.00 179.01 178.53 1yd6 h GLU 59 N 0.18 0.00 -6.22 2.33 4.81 -0.60 -3.45 114.58 111.63 1yd6 h GLU 59 Ca 0.04 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.70 1yd6 h GLU 59 Cb 0.34 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1yd6 h GLU 59 CO 0.02 0.72 1.26 0.42 -0.73 0.00 0.00 179.01 180.69 1yd6 s ILE 60 N -2.84 3.35 -0.19 2.32 1.01 -0.02 -4.16 121.20 120.66 1yd6 s ILE 60 Ca 0.02 0.39 0.18 0.00 0.00 0.00 0.00 60.65 61.24 1yd6 s ILE 60 Cb 0.09 -3.36 -0.24 0.00 0.01 0.00 0.00 42.46 38.95 1yd6 s ILE 60 CO 0.78 -0.15 0.08 0.00 0.00 0.00 0.00 174.94 175.64 1yd6 n ALA 61 N 9.18 1.54 -3.68 9.38 0.00 0.34 -4.96 120.51 132.30 1yd6 n ALA 61 Ca 0.22 -1.29 -0.10 0.00 0.00 0.00 0.00 53.44 52.28 1yd6 n ALA 61 Cb 0.44 -0.18 0.01 0.00 0.00 0.00 0.00 19.45 19.73 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 -5.40 0.13 -0.01 0.00 2.15 -1.14 -4.95 116.67 107.44 1yd6 s ASP 62 Ca -0.10 -1.18 -0.29 0.00 0.43 0.00 0.00 52.55 51.41 1yd6 s ASP 62 Cb 0.06 0.83 0.10 0.00 -0.30 0.00 0.00 42.92 43.61 1yd6 s ASP 62 CO 0.81 -1.63 0.91 0.72 -0.17 0.00 0.00 175.17 175.81 1yd6 s PHE 63 N -2.44 -0.32 0.26 -5.34 -0.12 -1.26 -0.35 117.98 108.41 1yd6 s PHE 63 Ca 0.17 0.18 0.01 0.00 -0.05 0.00 0.00 56.93 57.25 1yd6 s PHE 63 Cb -0.04 0.54 -0.05 0.00 -0.63 0.00 0.00 43.02 42.84 1yd6 s PHE 63 CO 0.13 -0.54 0.12 -2.00 -0.05 0.00 0.00 175.22 172.88 1yd6 s GLU 64 N -3.08 1.43 0.05 1.99 -6.30 -1.00 -4.99 118.70 106.79 1yd6 s GLU 64 Ca 0.06 -1.78 -0.03 0.00 -2.50 0.00 0.00 54.97 50.72 1yd6 s GLU 64 Cb -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 34.13 33.95 1yd6 s GLU 64 CO -0.08 -0.35 0.03 1.52 0.02 0.00 0.00 175.26 176.40 1yd6 s TYR 65 N -3.78 0.35 -0.12 5.30 1.13 -1.26 -0.90 117.35 118.07 1yd6 s TYR 65 Ca 0.37 -0.78 0.02 0.00 -1.41 0.00 0.00 57.07 55.27 1yd6 s TYR 65 Cb 0.07 -0.26 0.01 0.00 -1.10 0.00 0.00 41.96 40.69 1yd6 s TYR 65 CO 0.14 -0.36 -0.17 0.42 -2.51 0.00 0.00 175.55 173.07 1yd6 s ILE 66 N -3.17 1.65 0.36 -3.49 1.01 0.93 -4.99 121.20 113.49 1yd6 s ILE 66 Ca -0.00 -0.73 -0.16 0.00 0.00 0.00 0.00 60.65 59.77 1yd6 s ILE 66 Cb 0.02 -1.49 -0.09 0.00 0.01 0.00 0.00 42.46 40.91 1yd6 s ILE 66 CO -0.07 0.47 0.79 -0.69 0.00 0.00 0.00 174.94 175.44 1yd6 s VAL 67 N 1.00 4.63 0.24 2.92 1.01 -1.26 -0.58 120.40 128.36 1yd6 s VAL 67 Ca -0.05 1.03 0.04 0.00 0.00 0.00 0.00 61.98 62.99 1yd6 s VAL 67 Cb -0.15 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1yd6 s VAL 67 CO -0.03 -0.26 0.00 0.42 0.00 0.00 0.00 175.10 175.23 1yd6 s THR 68 N -2.09 1.06 -0.68 3.92 -4.23 -0.19 -4.89 115.64 108.54 1yd6 s THR 68 Ca 0.56 -2.03 0.24 0.00 -1.18 0.00 0.00 61.69 59.28 1yd6 s THR 68 Cb -0.10 -2.41 0.07 0.00 1.34 0.00 0.00 72.50 71.40 1yd6 s THR 68 CO 0.18 -0.27 1.37 -1.54 -0.54 0.00 0.00 174.62 173.83 1yd6 n SER 69 N -0.46 0.68 -3.83 3.99 3.41 -1.26 -4.32 113.62 111.84 1yd6 n SER 69 Ca -0.04 0.14 -0.09 0.00 -0.26 0.00 0.00 58.87 58.61 1yd6 n SER 69 Cb 0.64 0.08 -0.04 0.00 -0.26 0.00 0.00 64.21 64.63 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 -4.14 -0.19 0.20 4.04 1.04 -1.26 -5.01 113.70 108.38 1yd6 s SER 70 Ca 0.07 -0.63 -0.07 0.00 0.48 0.00 0.00 55.95 55.80 1yd6 s SER 70 Cb 0.14 0.58 0.13 0.00 0.10 0.00 0.00 66.02 66.96 1yd6 s SER 70 CO 0.71 -1.08 1.65 0.78 0.98 0.00 0.00 173.24 176.27 1yd6 h ASN 71 N 2.23 0.96 -0.34 7.02 2.35 -1.94 -1.95 115.58 123.90 1yd6 h ASN 71 Ca -0.27 -0.29 0.07 0.00 -0.55 0.00 0.00 56.30 55.25 1yd6 h ASN 71 Cb 1.25 -0.26 -0.07 0.00 0.05 0.00 0.00 38.32 39.30 1yd6 h ASN 71 CO 0.37 1.05 -0.09 0.00 -1.65 0.00 0.00 177.43 177.10 1yd6 h ALA 72 N 1.04 0.21 -0.55 -0.83 0.00 -2.00 -1.39 119.26 115.74 1yd6 h ALA 72 Ca 0.15 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 1yd6 h ALA 72 Cb 0.61 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1yd6 h ALA 72 CO 0.04 -0.47 0.14 1.49 0.00 0.00 0.00 179.25 180.45 1yd6 h GLU 73 N -0.01 0.84 -0.67 0.00 4.81 -1.93 -2.15 114.58 115.46 1yd6 h GLU 73 Ca 0.16 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1yd6 h GLU 73 Cb 0.26 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 1yd6 h GLU 73 CO -0.35 0.75 0.30 0.00 -0.73 0.00 0.00 179.01 178.97 1yd6 h ALA 74 N 1.34 1.27 -0.27 2.92 0.00 -0.92 -0.32 119.26 123.28 1yd6 h ALA 74 Ca 0.18 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1yd6 h ALA 74 Cb 0.29 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1yd6 h ALA 74 CO -0.00 0.55 -0.13 1.25 0.00 0.00 0.00 179.25 180.92 1yd6 h LEU 75 N 0.95 0.59 -0.29 0.00 6.46 -0.87 0.63 115.31 122.79 1yd6 h LEU 75 Ca 0.23 -0.41 -0.02 0.00 -0.12 0.00 0.00 57.88 57.57 1yd6 h LEU 75 Cb 0.13 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 39.89 1yd6 h LEU 75 CO -0.03 0.87 0.12 0.40 -0.62 0.00 0.00 178.44 179.18 1yd6 h ILE 76 N 0.31 1.17 -0.28 4.05 2.04 -1.23 -2.29 117.51 121.28 1yd6 h ILE 76 Ca 0.06 -0.51 0.05 0.00 1.00 0.00 0.00 64.86 65.45 1yd6 h ILE 76 Cb 0.64 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 1yd6 h ILE 76 CO 0.04 0.18 0.01 0.25 0.00 0.00 0.00 178.15 178.63 1yd6 h LEU 77 N 0.32 -0.09 -0.53 1.44 5.85 -1.02 -1.98 115.31 119.29 1yd6 h LEU 77 Ca 0.10 0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.98 1yd6 h LEU 77 Cb 0.17 0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.19 1yd6 h LEU 77 CO -0.01 -0.01 -0.16 -0.08 -0.34 0.00 0.00 178.44 177.84 1yd6 h GLU 78 N 0.10 -0.03 -0.16 1.25 4.81 -0.58 0.96 114.58 120.93 1yd6 h GLU 78 Ca 0.13 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.22 1yd6 h GLU 78 Cb 0.17 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1yd6 h GLU 78 CO -0.21 -0.02 -0.50 0.52 -0.73 0.00 0.00 179.01 178.07 1yd6 h MET 79 N -0.03 0.43 -0.32 1.92 2.86 -1.15 -1.34 114.93 117.29 1yd6 h MET 79 Ca 0.25 -0.25 -0.13 0.00 -2.06 0.00 0.00 59.70 57.52 1yd6 h MET 79 Cb 0.42 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1yd6 h MET 79 CO -0.56 0.83 -0.32 -0.91 1.06 0.00 0.00 176.91 177.01 1yd6 h ASN 80 N 0.34 0.71 -0.43 1.22 2.35 -0.64 -1.60 115.58 117.53 1yd6 h ASN 80 Ca 0.02 -0.29 -0.10 0.00 -0.55 0.00 0.00 56.30 55.38 1yd6 h ASN 80 Cb 0.99 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.15 1yd6 h ASN 80 CO 0.09 0.98 -0.11 -0.07 -1.65 0.00 0.00 177.43 176.66 1yd6 h LEU 81 N 0.58 0.84 -0.43 1.61 3.38 -0.60 -0.97 115.31 119.71 1yd6 h LEU 81 Ca 0.07 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.68 1yd6 h LEU 81 Cb 0.83 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1yd6 h LEU 81 CO 0.07 1.01 0.28 0.40 0.09 0.00 0.00 178.44 180.29 1yd6 h ILE 82 N 0.66 1.09 -0.47 1.22 2.04 -1.21 0.17 117.51 121.01 1yd6 h ILE 82 Ca 0.11 -0.19 0.04 0.00 1.00 0.00 0.00 64.86 65.82 1yd6 h ILE 82 Cb 0.65 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 1yd6 h ILE 82 CO 0.04 0.10 0.22 0.50 0.00 0.00 0.00 178.15 179.02 1yd6 h LYS 83 N 0.56 0.43 0.19 2.37 1.63 -1.14 0.82 116.57 121.43 1yd6 h LYS 83 Ca 0.16 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.93 1yd6 h LYS 83 Cb -0.04 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.49 1yd6 h LYS 83 CO -0.05 0.29 -0.09 -0.22 -3.45 0.00 0.00 179.45 175.93 1yd6 h LYS 84 N 0.45 -0.25 0.00 1.90 3.64 -0.82 -3.34 116.57 118.15 1yd6 h LYS 84 Ca 0.21 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1yd6 h LYS 84 Cb 0.13 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1yd6 h LYS 84 CO -0.15 -0.08 -1.48 0.72 -2.27 0.00 0.00 179.45 176.19 1yd6 n HIS 85 N -5.15 0.33 -3.89 1.91 8.25 0.55 -5.01 115.22 112.21 1yd6 n HIS 85 Ca -0.09 0.09 -0.34 0.00 -0.26 0.00 0.00 57.72 57.13 1yd6 n HIS 85 Cb 0.17 -0.59 0.01 0.00 1.12 0.00 0.00 29.99 30.70 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 -2.28 -3.91 -4.77 0.41 2.03 0.28 -4.83 116.55 103.49 1yd6 n ASP 86 Ca -0.01 -1.05 -0.40 0.00 0.52 0.00 0.00 54.79 53.86 1yd6 n ASP 86 Cb 0.53 -1.41 -0.02 0.00 -0.72 0.00 0.00 41.12 39.50 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 -6.11 4.22 0.22 -0.67 0.02 -1.26 -4.94 135.00 126.47 1yd6 s PRO 87 Ca 0.25 2.02 -0.09 0.00 0.02 0.00 0.00 61.00 63.21 1yd6 s PRO 87 Cb -0.14 -2.89 0.23 0.00 0.02 0.00 0.00 34.50 31.71 1yd6 s PRO 87 CO 0.84 -0.24 1.85 1.57 -0.33 0.00 0.00 177.00 180.70 1yd6 h LYS 88 N 3.06 0.88 0.00 5.54 -0.00 -1.76 -2.56 116.57 121.73 1yd6 h LYS 88 Ca -0.49 -0.05 0.00 0.00 -0.00 0.00 0.00 60.65 60.11 1yd6 h LYS 88 Cb 1.23 -0.20 0.00 0.00 -0.00 0.00 0.00 32.23 33.26 1yd6 h LYS 88 CO 0.64 0.58 0.00 1.88 -0.00 0.00 0.00 179.45 182.55 1yd6 h TYR 89 N 0.91 0.00 -0.24 0.07 0.05 -1.69 -2.80 116.97 113.27 1yd6 h TYR 89 Ca 0.31 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.96 1yd6 h TYR 89 Cb 0.05 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.78 1yd6 h TYR 89 CO -0.04 0.00 -0.40 -0.91 -1.05 0.00 0.00 178.16 175.76 1yd6 h ASN 90 N 0.00 0.58 -0.30 3.88 4.21 -1.64 -0.85 115.58 121.47 1yd6 h ASN 90 Ca 0.00 -0.26 -0.03 0.00 1.21 0.00 0.00 56.30 57.23 1yd6 h ASN 90 Cb 0.74 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.76 1yd6 h ASN 90 CO 0.00 0.92 0.09 0.58 -1.29 0.00 0.00 177.43 177.73 1yd6 h VAL 91 N 0.45 1.21 0.00 2.81 2.07 -1.49 -3.35 116.25 117.95 1yd6 h VAL 91 Ca 0.04 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1yd6 h VAL 91 Cb 0.90 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1yd6 h VAL 91 CO 0.08 0.23 -1.21 0.23 0.02 0.00 0.00 177.57 176.92 1yd6 n MET 92 N -4.68 0.32 -0.54 1.57 2.81 -1.17 -3.78 117.12 111.66 1yd6 n MET 92 Ca -0.02 -0.04 -0.04 0.00 -1.81 0.00 0.00 57.70 55.79 1yd6 n MET 92 Cb 0.17 -1.57 0.14 0.00 -0.71 0.00 0.00 33.22 31.26 1yd6 n MET 92 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1yd6 n LEU 93 N -1.97 4.15 -4.51 4.03 4.77 -0.33 -4.97 117.00 118.17 1yd6 n LEU 93 Ca 0.01 -2.15 -0.55 0.00 -0.03 0.00 0.00 56.01 53.29 1yd6 n LEU 93 Cb 0.45 -0.63 -0.08 0.00 -2.33 0.00 0.00 43.42 40.82 1yd6 n LEU 93 CO 0.42 0.61 1.61 0.29 -1.33 0.00 0.00 177.39 178.99 1yd6 n LYS 94 N -0.01 0.90 0.00 3.23 4.76 -1.25 -5.02 118.16 120.77 1yd6 n LYS 94 Ca 0.22 0.28 0.14 0.00 -2.87 0.00 0.00 58.31 56.09 1yd6 n LYS 94 Cb 0.91 -2.14 0.83 0.00 -1.84 0.00 0.00 35.03 32.79 1yd6 n LYS 94 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78