#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iy1 n TYR 16 N 0.00 -0.77 -4.31 -1.84 4.02 -0.87 -4.90 117.16 108.49 2iy1 n TYR 16 Ca 0.00 0.14 -0.25 0.00 -0.01 0.00 0.00 57.90 57.78 2iy1 n TYR 16 Cb 0.00 0.41 -0.12 0.00 -0.02 0.00 0.00 39.34 39.61 2iy1 n TYR 16 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 2iy1 s ILE 17 N -1.38 1.83 -0.19 -0.72 -4.36 -0.88 -4.96 121.20 110.54 2iy1 s ILE 17 Ca 0.00 -1.63 -0.26 0.00 -0.26 0.00 0.00 60.65 58.51 2iy1 s ILE 17 Cb 0.00 -1.67 -0.01 0.00 1.25 0.00 0.00 42.46 42.03 2iy1 s ILE 17 CO 0.00 -0.06 0.87 -0.54 0.24 0.00 0.00 174.94 175.45 2iy1 s LYS 18 N -2.03 4.27 0.10 0.37 1.02 -1.26 -1.24 119.74 120.97 2iy1 s LYS 18 Ca 0.09 1.06 0.06 0.00 0.02 0.00 0.00 55.97 57.20 2iy1 s LYS 18 Cb -0.10 -3.60 -0.04 0.00 -0.52 0.00 0.00 37.83 33.58 2iy1 s LYS 18 CO 0.05 -0.41 -0.05 -0.51 -0.92 0.00 0.00 175.35 173.51 2iy1 s LEU 19 N 2.44 3.26 -0.26 3.17 1.43 0.17 -0.32 118.68 128.57 2iy1 s LEU 19 Ca 0.39 -0.29 -0.09 0.00 -1.03 0.00 0.00 54.13 53.11 2iy1 s LEU 19 Cb -0.16 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 2iy1 s LEU 19 CO 0.11 0.17 0.12 -0.54 0.23 0.00 0.00 176.35 176.43 2iy1 s LYS 20 N -2.32 3.77 -0.37 1.70 1.02 0.39 -1.87 119.74 122.06 2iy1 s LYS 20 Ca 0.24 -0.42 -0.16 0.00 0.02 0.00 0.00 55.97 55.66 2iy1 s LYS 20 Cb -0.11 -3.45 0.00 0.00 -0.52 0.00 0.00 37.83 33.75 2iy1 s LYS 20 CO 0.16 -0.18 0.37 0.08 -0.92 0.00 0.00 175.35 174.86 2iy1 s VAL 21 N 1.65 5.16 -0.25 3.17 1.01 -0.03 0.51 120.40 131.63 2iy1 s VAL 21 Ca 0.07 -0.16 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 2iy1 s VAL 21 Cb -0.15 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.35 2iy1 s VAL 21 CO 0.06 -0.20 -0.04 -0.63 0.00 0.00 0.00 175.10 174.29 2iy1 s ILE 22 N 1.99 3.13 0.78 2.22 1.01 0.71 -1.29 121.20 129.75 2iy1 s ILE 22 Ca 0.11 -0.85 -0.11 0.00 0.00 0.00 0.00 60.65 59.79 2iy1 s ILE 22 Cb -0.17 -2.55 0.06 0.00 0.01 0.00 0.00 42.46 39.81 2iy1 s ILE 22 CO 0.12 0.24 1.08 -0.83 0.00 0.00 0.00 174.94 175.55 2iy1 s GLY 23 N 1.39 1.65 0.58 6.18 0.00 0.36 -1.74 107.32 115.74 2iy1 s GLY 23 Ca 0.02 0.03 0.37 0.00 0.00 0.00 0.00 44.72 45.14 2iy1 s GLY 23 CO -0.03 0.42 2.10 -1.61 0.00 0.00 0.00 173.10 173.97 2iy1 h GLN 24 N -1.10 0.00 -0.13 2.90 4.15 -1.86 0.08 115.11 119.15 2iy1 h GLN 24 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.96 2iy1 h GLN 24 Cb 1.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.94 2iy1 h GLN 24 CO 0.55 0.00 0.00 -0.40 -1.93 0.00 0.00 178.83 177.05 2iy1 n ASP 25 N -3.06 0.96 0.00 -0.69 5.75 -1.26 -4.94 116.55 113.31 2iy1 n ASP 25 Ca -0.01 -1.76 0.00 0.00 -0.01 0.00 0.00 54.79 53.01 2iy1 n ASP 25 Cb 0.22 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 2iy1 n ASP 25 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2iy1 n SER 26 N -0.08 0.00 -4.78 -1.12 2.88 0.01 -5.04 113.62 105.49 2iy1 n SER 26 Ca 0.11 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.28 2iy1 n SER 26 Cb 0.19 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.58 2iy1 n SER 26 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2iy1 s SER 27 N -3.16 7.36 0.00 -3.46 1.04 -1.26 -4.77 113.70 109.46 2iy1 s SER 27 Ca 0.00 1.81 0.05 0.00 0.48 0.00 0.00 55.95 58.29 2iy1 s SER 27 Cb 0.00 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.52 2iy1 s SER 27 CO 0.00 -0.02 -0.14 -1.61 0.98 0.00 0.00 173.24 172.45 2iy1 s GLU 28 N -1.89 2.33 -0.05 4.02 2.02 -1.26 -0.49 118.70 123.38 2iy1 s GLU 28 Ca 0.48 -0.83 0.02 0.00 0.02 0.00 0.00 54.97 54.66 2iy1 s GLU 28 Cb -0.20 -2.32 0.01 0.00 0.10 0.00 0.00 34.13 31.72 2iy1 s GLU 28 CO 0.25 0.58 -0.09 0.42 0.02 0.00 0.00 175.26 176.44 2iy1 s ILE 29 N -0.88 0.88 -0.11 -1.63 1.01 -0.42 -5.00 121.20 115.05 2iy1 s ILE 29 Ca 0.14 -0.35 -0.10 0.00 0.00 0.00 0.00 60.65 60.34 2iy1 s ILE 29 Cb -0.11 -0.82 -0.05 0.00 0.01 0.00 0.00 42.46 41.50 2iy1 s ILE 29 CO 0.04 0.29 0.21 -1.00 0.00 0.00 0.00 174.94 174.49 2iy1 s HIS 30 N 0.62 3.58 0.04 3.97 3.76 -1.26 -0.85 115.29 125.14 2iy1 s HIS 30 Ca -0.11 0.60 0.07 0.00 -0.15 0.00 0.00 55.06 55.47 2iy1 s HIS 30 Cb -0.14 -2.10 -0.02 0.00 1.11 0.00 0.00 32.58 31.43 2iy1 s HIS 30 CO 0.02 0.59 -0.20 -0.06 -0.85 0.00 0.00 174.74 174.23 2iy1 s PHE 31 N -0.63 1.78 -0.22 1.40 0.40 -0.78 -4.99 117.98 114.93 2iy1 s PHE 31 Ca 0.16 -0.37 -0.09 0.00 -0.60 0.00 0.00 56.93 56.03 2iy1 s PHE 31 Cb -0.13 -1.07 -0.04 0.00 0.51 0.00 0.00 43.02 42.29 2iy1 s PHE 31 CO 0.05 0.08 0.11 0.21 0.70 0.00 0.00 175.22 176.36 2iy1 s LYS 32 N -1.12 3.94 0.03 0.44 2.20 -1.26 -0.66 119.74 123.32 2iy1 s LYS 32 Ca 0.07 -0.34 -0.02 0.00 -0.36 0.00 0.00 55.97 55.31 2iy1 s LYS 32 Cb -0.09 -3.38 -0.02 0.00 -1.51 0.00 0.00 37.83 32.84 2iy1 s LYS 32 CO 0.02 0.08 0.02 0.54 -0.36 0.00 0.00 175.35 175.64 2iy1 s VAL 33 N 0.94 0.14 0.23 4.02 0.11 -0.38 -4.65 120.40 120.81 2iy1 s VAL 33 Ca 0.05 -1.13 -0.30 0.00 -2.93 0.00 0.00 61.98 57.67 2iy1 s VAL 33 Cb -0.14 -0.71 -0.09 0.00 -1.53 0.00 0.00 36.38 33.92 2iy1 s VAL 33 CO 0.03 -0.62 0.99 -0.75 -3.33 0.00 0.00 175.10 171.42 2iy1 s LYS 34 N -2.28 4.77 0.50 1.54 2.20 -1.26 -2.04 119.74 123.17 2iy1 s LYS 34 Ca -0.08 1.57 0.17 0.00 -0.36 0.00 0.00 55.97 57.27 2iy1 s LYS 34 Cb -0.04 -3.27 1.21 0.00 -1.51 0.00 0.00 37.83 34.23 2iy1 s LYS 34 CO -0.04 0.38 2.09 1.98 -0.36 0.00 0.00 175.35 179.40 2iy1 h MET 35 N 4.31 0.00 -0.12 4.03 4.05 -1.94 -2.96 114.93 122.29 2iy1 h MET 35 Ca -0.45 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.97 2iy1 h MET 35 Cb 1.20 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.00 2iy1 h MET 35 CO 0.69 0.09 0.00 2.41 0.23 0.00 0.00 176.91 180.32 2iy1 n THR 36 N -4.34 0.24 -2.77 -0.77 -1.04 -1.26 -1.68 114.28 102.66 2iy1 n THR 36 Ca -0.03 -0.62 -0.41 0.00 -2.04 0.00 0.00 64.05 60.96 2iy1 n THR 36 Cb 0.16 1.11 -0.05 0.00 -1.82 0.00 0.00 70.33 69.74 2iy1 n THR 36 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2iy1 s THR 37 N -1.17 4.43 0.39 12.58 2.01 -1.12 -4.94 115.64 127.81 2iy1 s THR 37 Ca 0.20 2.01 -0.27 0.00 0.31 0.00 0.00 61.69 63.95 2iy1 s THR 37 Cb 0.13 -4.29 -0.11 0.00 0.01 0.00 0.00 72.50 68.24 2iy1 s THR 37 CO 0.19 0.37 1.28 1.41 -0.69 0.00 0.00 174.62 177.18 2iy1 n HIS 38 N 2.45 2.21 1.94 4.92 8.25 -1.26 -4.42 115.22 129.31 2iy1 n HIS 38 Ca 0.00 0.52 0.14 0.00 -0.26 0.00 0.00 57.72 58.13 2iy1 n HIS 38 Cb 0.49 -2.40 0.82 0.00 1.12 0.00 0.00 29.99 30.02 2iy1 n HIS 38 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2iy1 n LEU 39 N 0.45 0.17 0.11 2.41 4.77 0.02 -4.06 117.00 120.87 2iy1 n LEU 39 Ca 0.06 -0.06 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 2iy1 n LEU 39 Cb 0.38 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.41 2iy1 n LEU 39 CO 0.61 0.03 0.66 0.50 -1.33 0.00 0.00 177.39 177.86 2iy1 h LYS 40 N 0.26 -0.49 -0.96 3.23 3.64 -1.78 -1.68 116.57 118.79 2iy1 h LYS 40 Ca 0.00 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2iy1 h LYS 40 Cb 0.05 0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 31.94 2iy1 h LYS 40 CO 0.00 -0.33 0.64 -0.22 -2.27 0.00 0.00 179.45 177.27 2iy1 h LYS 41 N -0.51 1.26 -0.10 1.90 3.64 -1.90 -0.51 116.57 120.35 2iy1 h LYS 41 Ca 0.03 -0.08 0.04 0.00 -1.27 0.00 0.00 60.65 59.38 2iy1 h LYS 41 Cb 0.55 -0.28 -0.05 0.00 -0.41 0.00 0.00 32.23 32.03 2iy1 h LYS 41 CO -0.18 0.83 -0.17 1.25 -2.27 0.00 0.00 179.45 178.91 2iy1 h LEU 42 N 1.30 -0.53 -0.30 5.20 6.46 -1.74 -0.29 115.31 125.41 2iy1 h LEU 42 Ca 0.35 0.09 0.04 0.00 -0.12 0.00 0.00 57.88 58.24 2iy1 h LEU 42 Cb -0.15 0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 39.99 2iy1 h LEU 42 CO -0.08 -0.22 0.07 0.11 -0.62 0.00 0.00 178.44 177.70 2iy1 h LYS 43 N -0.23 0.18 -0.13 1.25 1.57 -0.30 -1.37 116.57 117.54 2iy1 h LYS 43 Ca 0.09 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 2iy1 h LYS 43 Cb 0.36 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2iy1 h LYS 43 CO -0.24 0.12 -0.35 0.93 -0.57 0.00 0.00 179.45 179.34 2iy1 h GLU 44 N 0.19 0.27 0.13 3.15 5.08 -0.97 -2.11 114.58 120.31 2iy1 h GLU 44 Ca 0.14 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2iy1 h GLU 44 Cb 0.14 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2iy1 h GLU 44 CO -0.17 0.59 -0.06 0.77 -1.00 0.00 0.00 179.01 179.13 2iy1 h SER 45 N 0.23 -0.15 0.30 1.42 0.02 -0.74 -1.78 113.55 112.86 2iy1 h SER 45 Ca 0.03 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2iy1 h SER 45 Cb 0.73 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.27 2iy1 h SER 45 CO 0.06 0.13 -0.47 0.22 -1.14 0.00 0.00 176.83 175.63 2iy1 h TYR 46 N -0.43 -1.30 -0.64 3.45 3.20 -0.78 0.14 116.97 120.61 2iy1 h TYR 46 Ca -0.02 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 2iy1 h TYR 46 Cb 0.34 0.53 -0.03 0.00 1.54 0.00 0.00 36.73 39.11 2iy1 h TYR 46 CO 0.01 -0.59 0.39 0.00 -1.64 0.00 0.00 178.16 176.32 2iy1 h GLN 48 N 0.89 -0.04 -0.37 0.00 -0.00 -0.91 -0.98 115.11 113.70 2iy1 h GLN 48 Ca 0.23 0.00 0.08 0.00 -0.00 0.00 0.00 58.65 58.96 2iy1 h GLN 48 Cb -0.04 0.01 -0.02 0.00 0.00 0.00 0.00 27.48 27.44 2iy1 h GLN 48 CO -0.04 -0.02 0.26 -0.09 0.00 0.00 0.00 178.83 178.94 2iy1 h ARG 49 N -0.05 0.15 0.00 1.69 9.65 -0.10 -1.80 114.38 123.91 2iy1 h ARG 49 Ca -0.00 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2iy1 h ARG 49 Cb 0.04 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 2iy1 h ARG 49 CO 0.01 0.10 -0.41 0.94 2.80 0.00 0.00 179.97 183.40 2iy1 n GLN 50 N -4.46 0.07 -0.97 0.20 -0.06 0.08 -4.95 117.38 107.28 2iy1 n GLN 50 Ca 0.05 0.02 0.00 0.00 -2.00 0.00 0.00 57.00 55.08 2iy1 n GLN 50 Cb 0.34 -1.55 0.00 0.00 -4.06 0.00 0.00 30.24 24.97 2iy1 n GLN 50 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2iy1 n GLY 51 N 1.46 0.56 3.92 1.69 0.00 -0.43 -5.05 105.19 107.35 2iy1 n GLY 51 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 2iy1 n GLY 51 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2iy1 s VAL 52 N -2.39 4.10 0.55 1.61 -7.23 -0.88 -5.01 120.40 111.15 2iy1 s VAL 52 Ca 0.00 -1.16 -0.16 0.00 -1.81 0.00 0.00 61.98 58.85 2iy1 s VAL 52 Cb 0.00 -3.40 -0.06 0.00 0.56 0.00 0.00 36.38 33.48 2iy1 s VAL 52 CO 0.00 -0.21 1.01 -2.16 -0.31 0.00 0.00 175.10 173.43 2iy1 s PRO 53 N -4.05 3.76 0.11 4.82 0.04 -1.26 -4.41 135.00 134.01 2iy1 s PRO 53 Ca 0.41 0.98 -0.22 0.00 0.04 0.00 0.00 61.00 62.21 2iy1 s PRO 53 Cb -0.08 -2.11 -0.07 0.00 0.04 0.00 0.00 34.50 32.28 2iy1 s PRO 53 CO 0.29 -0.43 1.71 1.98 0.04 0.00 0.00 177.00 180.58 2iy1 h MET 54 N 0.64 -0.07 0.00 4.56 1.85 -1.97 -2.67 114.93 117.27 2iy1 h MET 54 Ca -0.46 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.63 2iy1 h MET 54 Cb 1.19 0.02 0.00 0.00 0.43 0.00 0.00 31.60 33.24 2iy1 h MET 54 CO 0.61 -0.04 0.00 0.27 -0.40 0.00 0.00 176.91 177.34 2iy1 n ASN 55 N -5.19 0.14 0.03 1.39 0.23 -1.26 -0.85 115.26 109.75 2iy1 n ASN 55 Ca -0.04 0.56 0.13 0.00 -0.53 0.00 0.00 54.58 54.70 2iy1 n ASN 55 Cb 0.12 -0.58 0.41 0.00 -2.08 0.00 0.00 39.78 37.65 2iy1 n ASN 55 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2iy1 n SER 56 N -1.69 0.41 -4.67 0.53 3.41 -1.00 -4.84 113.62 105.77 2iy1 n SER 56 Ca -0.00 0.27 -0.24 0.00 -0.26 0.00 0.00 58.87 58.64 2iy1 n SER 56 Cb 0.01 -0.27 -0.07 0.00 -0.26 0.00 0.00 64.21 63.62 2iy1 n SER 56 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2iy1 s LEU 57 N -3.53 3.28 -0.07 1.04 1.43 -0.03 -1.77 118.68 119.03 2iy1 s LEU 57 Ca 0.11 -0.54 -0.02 0.00 -1.03 0.00 0.00 54.13 52.65 2iy1 s LEU 57 Cb 0.16 -1.84 0.04 0.00 0.03 0.00 0.00 46.19 44.58 2iy1 s LEU 57 CO 0.62 0.02 0.06 -0.13 0.23 0.00 0.00 176.35 177.15 2iy1 s ARG 58 N -3.48 0.04 -0.35 1.70 1.81 0.13 -4.88 118.95 113.92 2iy1 s ARG 58 Ca 0.30 0.25 -0.13 0.00 -1.72 0.00 0.00 55.73 54.44 2iy1 s ARG 58 Cb -0.07 -0.82 -0.01 0.00 -0.45 0.00 0.00 34.95 33.60 2iy1 s ARG 58 CO 0.20 -0.39 0.24 -0.06 -0.68 0.00 0.00 175.30 174.61 2iy1 s PHE 59 N 2.13 3.23 0.06 -0.53 0.40 -1.26 -0.48 117.98 121.53 2iy1 s PHE 59 Ca 0.04 -0.34 0.04 0.00 -0.60 0.00 0.00 56.93 56.08 2iy1 s PHE 59 Cb -0.13 -2.49 -0.04 0.00 0.51 0.00 0.00 43.02 40.88 2iy1 s PHE 59 CO -0.04 -0.42 -0.04 -0.51 0.70 0.00 0.00 175.22 174.91 2iy1 s LEU 60 N 1.70 3.31 -0.30 -0.37 1.43 0.64 -0.49 118.68 124.60 2iy1 s LEU 60 Ca 0.06 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 2iy1 s LEU 60 Cb -0.18 -2.00 0.07 0.00 0.03 0.00 0.00 46.19 44.11 2iy1 s LEU 60 CO 0.10 0.22 -0.03 0.12 0.23 0.00 0.00 176.35 176.99 2iy1 s PHE 61 N -1.18 3.40 -1.41 0.29 5.99 -0.33 -0.84 117.98 123.89 2iy1 s PHE 61 Ca 0.22 -2.37 -0.01 0.00 0.00 0.00 0.00 56.93 54.77 2iy1 s PHE 61 Cb -0.11 -2.28 0.01 0.00 0.00 0.00 0.00 43.02 40.63 2iy1 s PHE 61 CO 0.14 -0.88 0.48 0.39 -0.00 0.00 0.00 175.22 175.34 2iy1 n GLU 62 N 4.45 -3.56 0.00 10.12 1.02 -1.26 -1.81 120.64 129.61 2iy1 n GLU 62 Ca -0.09 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 2iy1 n GLU 62 Cb 0.42 -4.66 0.00 0.00 -0.02 0.00 0.00 31.44 27.18 2iy1 n GLU 62 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2iy1 n GLY 63 N -1.90 2.89 3.66 0.62 0.00 -1.26 -5.00 105.19 104.20 2iy1 n GLY 63 Ca -0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 2iy1 n GLY 63 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2iy1 s GLN 64 N -0.13 4.28 0.18 1.61 2.00 -0.75 -4.98 119.66 121.88 2iy1 s GLN 64 Ca 0.00 1.20 -0.32 0.00 -2.00 0.00 0.00 55.36 54.25 2iy1 s GLN 64 Cb 0.00 -3.61 -0.11 0.00 0.80 0.00 0.00 33.01 30.09 2iy1 s GLN 64 CO 0.00 -0.50 1.67 0.50 -0.50 0.00 0.00 175.29 176.46 2iy1 s ARG 65 N 2.73 4.16 -0.44 1.67 6.06 -1.26 -1.19 118.95 130.68 2iy1 s ARG 65 Ca 0.41 2.51 -0.20 0.00 -2.50 0.00 0.00 55.73 55.95 2iy1 s ARG 65 Cb -0.16 -3.15 0.03 0.00 0.06 0.00 0.00 34.95 31.73 2iy1 s ARG 65 CO 0.09 -0.70 0.60 0.42 -2.50 0.00 0.00 175.30 173.21 2iy1 s ILE 66 N 1.29 4.88 0.71 4.11 1.01 0.36 -4.93 121.20 128.64 2iy1 s ILE 66 Ca 0.73 -0.02 -0.11 0.00 0.00 0.00 0.00 60.65 61.26 2iy1 s ILE 66 Cb -0.47 -4.18 0.02 0.00 0.01 0.00 0.00 42.46 37.84 2iy1 s ILE 66 CO 0.32 -0.58 1.07 0.00 0.00 0.00 0.00 174.94 175.75 2iy1 s ALA 67 N 2.68 2.64 0.55 9.38 0.00 -1.26 -4.74 121.76 131.01 2iy1 s ALA 67 Ca 0.20 -0.01 0.23 0.00 0.00 0.00 0.00 51.96 52.37 2iy1 s ALA 67 Cb -0.15 -3.14 1.53 0.00 0.00 0.00 0.00 23.12 21.35 2iy1 s ALA 67 CO 0.18 -1.27 2.20 -0.44 0.00 0.00 0.00 175.76 176.42 2iy1 h ASP 68 N -0.76 0.00 -0.11 0.00 5.19 -1.97 -2.57 116.42 116.21 2iy1 h ASP 68 Ca -0.45 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 2iy1 h ASP 68 Cb 1.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.73 2iy1 h ASP 68 CO 0.58 0.00 0.00 -0.46 -3.12 0.00 0.00 179.24 176.24 2iy1 n ASN 69 N -4.21 2.66 -4.76 6.45 0.23 -1.26 -2.82 115.26 111.55 2iy1 n ASN 69 Ca -0.03 -1.87 -0.38 0.00 -0.53 0.00 0.00 54.58 51.78 2iy1 n ASN 69 Cb 0.10 -0.06 0.02 0.00 -2.08 0.00 0.00 39.78 37.76 2iy1 n ASN 69 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 2iy1 s HIS 70 N -1.88 2.52 0.13 -2.53 3.76 -0.97 -4.78 115.29 111.55 2iy1 s HIS 70 Ca 0.33 1.45 0.10 0.00 -0.15 0.00 0.00 55.06 56.78 2iy1 s HIS 70 Cb 0.21 -3.62 -0.04 0.00 1.11 0.00 0.00 32.58 30.24 2iy1 s HIS 70 CO 0.31 -2.32 -0.23 0.95 -0.85 0.00 0.00 174.74 172.60 2iy1 s THR 71 N -1.41 1.98 0.30 1.30 -4.23 -1.26 -0.80 115.64 111.52 2iy1 s THR 71 Ca 0.69 -1.73 0.05 0.00 -1.18 0.00 0.00 61.69 59.52 2iy1 s THR 71 Cb -0.35 -1.81 0.30 0.00 1.34 0.00 0.00 72.50 71.98 2iy1 s THR 71 CO 0.42 -0.06 1.67 -0.65 -0.54 0.00 0.00 174.62 175.46 2iy1 h PRO 72 N 3.77 0.31 -0.31 3.99 0.11 -1.77 -1.40 132.00 136.71 2iy1 h PRO 72 Ca -0.47 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2iy1 h PRO 72 Cb 1.18 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2iy1 h PRO 72 CO 0.42 0.21 0.16 -0.22 -0.21 0.00 0.00 178.00 178.36 2iy1 h LYS 73 N 0.32 0.44 -0.85 1.05 3.64 -1.66 -1.34 116.57 118.16 2iy1 h LYS 73 Ca 0.59 -0.06 0.10 0.00 -1.27 0.00 0.00 60.65 60.01 2iy1 h LYS 73 Cb 1.20 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.87 2iy1 h LYS 73 CO -0.59 0.39 0.55 0.93 -2.27 0.00 0.00 179.45 178.47 2iy1 h GLU 74 N 0.37 0.80 -0.00 1.90 5.08 -1.63 -1.84 114.58 119.25 2iy1 h GLU 74 Ca 0.11 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2iy1 h GLU 74 Cb 0.09 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2iy1 h GLU 74 CO -0.02 0.53 -0.29 1.28 -1.00 0.00 0.00 179.01 179.51 2iy1 n LEU 75 N -4.52 0.65 -3.16 1.33 4.77 -0.60 -4.96 117.00 110.51 2iy1 n LEU 75 Ca 0.14 -0.05 -0.15 0.00 -0.03 0.00 0.00 56.01 55.92 2iy1 n LEU 75 Cb 0.31 -0.21 0.08 0.00 -2.33 0.00 0.00 43.42 41.27 2iy1 n LEU 75 CO 0.31 0.13 0.09 0.61 -1.33 0.00 0.00 177.39 177.21 2iy1 n GLY 76 N 1.40 -0.33 3.86 -0.72 0.00 -0.58 -5.01 105.19 103.81 2iy1 n GLY 76 Ca 0.10 0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 2iy1 n GLY 76 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2iy1 s MET 77 N -5.14 3.85 0.34 1.61 -1.94 -0.78 -5.06 119.30 112.19 2iy1 s MET 77 Ca 0.03 0.32 0.09 0.00 -1.71 0.00 0.00 55.69 54.42 2iy1 s MET 77 Cb -0.00 -2.86 -0.06 0.00 2.01 0.00 0.00 34.83 33.92 2iy1 s MET 77 CO 0.65 0.45 -0.04 -1.21 -0.01 0.00 0.00 175.02 174.86 2iy1 s GLU 78 N -2.25 1.96 0.15 2.03 2.02 -1.26 -4.87 118.70 116.48 2iy1 s GLU 78 Ca 0.40 -1.84 -0.24 0.00 0.02 0.00 0.00 54.97 53.31 2iy1 s GLU 78 Cb -0.13 -1.82 -0.14 0.00 0.10 0.00 0.00 34.13 32.13 2iy1 s GLU 78 CO 0.20 0.13 0.46 -1.91 0.02 0.00 0.00 175.26 174.16 2iy1 n GLU 79 N -0.88 0.00 -0.83 1.61 4.07 -1.26 -1.44 120.64 121.91 2iy1 n GLU 79 Ca -0.05 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.05 2iy1 n GLU 79 Cb 0.63 -0.86 0.00 0.00 -0.06 0.00 0.00 31.44 31.15 2iy1 n GLU 79 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 2iy1 n GLU 80 N 0.86 -0.45 -0.77 5.31 -0.00 0.56 -4.99 120.64 121.15 2iy1 n GLU 80 Ca 0.15 0.11 -0.29 0.00 -0.00 0.00 0.00 57.16 57.13 2iy1 n GLU 80 Cb 0.20 -3.83 0.21 0.00 -0.00 0.00 0.00 31.44 28.01 2iy1 n GLU 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2iy1 s ASP 81 N -2.26 2.00 -0.08 -1.84 1.01 -0.52 -4.59 116.67 110.39 2iy1 s ASP 81 Ca 0.00 1.60 0.04 0.00 0.71 0.00 0.00 52.55 54.90 2iy1 s ASP 81 Cb 0.00 -2.28 -0.01 0.00 1.01 0.00 0.00 42.92 41.64 2iy1 s ASP 81 CO 0.00 -3.58 -0.20 -0.69 0.21 0.00 0.00 175.17 170.91 2iy1 s VAL 82 N -2.65 2.50 -0.28 -1.27 1.01 -1.26 -0.46 120.40 117.99 2iy1 s VAL 82 Ca 0.67 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 2iy1 s VAL 82 Cb -0.22 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.21 2iy1 s VAL 82 CO 0.61 0.56 0.02 -0.63 0.00 0.00 0.00 175.10 175.66 2iy1 s ILE 83 N -0.06 3.44 0.13 2.22 1.01 0.18 -4.54 121.20 123.59 2iy1 s ILE 83 Ca -0.05 -0.90 -0.24 0.00 0.00 0.00 0.00 60.65 59.46 2iy1 s ILE 83 Cb -0.14 -2.79 -0.07 0.00 0.01 0.00 0.00 42.46 39.46 2iy1 s ILE 83 CO 0.04 0.10 0.74 -1.61 0.00 0.00 0.00 174.94 174.22 2iy1 s GLU 84 N 1.41 4.50 -0.19 2.79 2.02 -0.02 -0.21 118.70 128.99 2iy1 s GLU 84 Ca 0.01 1.08 -0.05 0.00 0.02 0.00 0.00 54.97 56.02 2iy1 s GLU 84 Cb -0.17 -3.27 -0.03 0.00 0.10 0.00 0.00 34.13 30.76 2iy1 s GLU 84 CO -0.01 0.54 0.01 0.08 0.02 0.00 0.00 175.26 175.90 2iy1 s VAL 85 N -0.97 4.11 0.03 2.63 1.01 -0.71 -0.26 120.40 126.23 2iy1 s VAL 85 Ca 0.35 -0.26 0.08 0.00 0.00 0.00 0.00 61.98 62.14 2iy1 s VAL 85 Cb -0.22 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 2iy1 s VAL 85 CO 0.25 0.43 -0.22 -0.31 0.00 0.00 0.00 175.10 175.25 2iy1 s TYR 86 N 0.86 2.45 0.73 5.22 1.51 0.36 -2.89 117.35 125.58 2iy1 s TYR 86 Ca 0.01 -0.33 -0.11 0.00 -1.01 0.00 0.00 57.07 55.63 2iy1 s TYR 86 Cb -0.14 -1.45 0.03 0.00 -0.11 0.00 0.00 41.96 40.29 2iy1 s TYR 86 CO 0.02 0.17 1.07 -0.65 -1.11 0.00 0.00 175.55 175.05 2iy1 s GLN 87 N -1.24 2.68 0.42 -0.62 1.11 -1.26 0.17 119.66 120.92 2iy1 s GLN 87 Ca 0.13 0.89 -0.25 0.00 0.01 0.00 0.00 55.36 56.13 2iy1 s GLN 87 Cb -0.10 -1.97 -0.10 0.00 -1.01 0.00 0.00 33.01 29.83 2iy1 s GLN 87 CO 0.03 -1.26 1.28 -1.91 0.01 0.00 0.00 175.29 173.43 2iy1 n GLU 88 N -3.23 1.94 -4.87 2.91 2.13 -0.73 -4.80 120.64 113.99 2iy1 n GLU 88 Ca 0.07 0.69 -0.33 0.00 0.66 0.00 0.00 57.16 58.26 2iy1 n GLU 88 Cb 0.54 -2.39 -0.15 0.00 0.27 0.00 0.00 31.44 29.71 2iy1 n GLU 88 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2iy1 s GLN 89 N -2.22 3.18 0.23 5.31 -0.21 -1.26 -5.11 119.66 119.58 2iy1 s GLN 89 Ca 0.61 -0.72 0.09 0.00 0.02 0.00 0.00 55.36 55.36 2iy1 s GLN 89 Cb -0.50 -2.53 -0.05 0.00 1.00 0.00 0.00 33.01 30.92 2iy1 s GLN 89 CO 0.58 0.28 -0.14 0.95 -2.12 0.00 0.00 175.29 174.83 2iy1 s THR 90 N 0.17 1.90 -0.06 -0.19 -4.23 -1.26 -5.17 115.64 106.80 2iy1 s THR 90 Ca -0.08 -2.24 -0.30 0.00 -1.18 0.00 0.00 61.69 57.88 2iy1 s THR 90 Cb -0.15 -2.17 0.11 0.00 1.34 0.00 0.00 72.50 71.63 2iy1 s THR 90 CO 0.05 -0.50 0.93 -0.83 -0.54 0.00 0.00 174.62 173.73 2iy1 s GLY 91 N -3.38 -0.40 0.00 3.99 0.00 -1.26 -5.09 107.32 101.18 2iy1 s GLY 91 Ca 0.25 1.35 0.00 0.00 0.00 0.00 0.00 44.72 46.32 2iy1 s GLY 91 CO 0.09 0.56 0.00 0.61 0.00 0.00 0.00 173.10 174.37 2iy1 n GLY 92 N 0.07 0.02 3.56 0.20 0.00 -1.26 -5.16 105.19 102.62 2iy1 n GLY 92 Ca -0.09 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 2iy1 n GLY 92 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2iy1 s HIS 93 N -1.00 -0.38 -0.03 1.61 -3.43 -1.26 -5.16 115.29 105.65 2iy1 s HIS 93 Ca 0.00 0.13 -0.05 0.00 -0.80 0.00 0.00 55.06 54.34 2iy1 s HIS 93 Cb 0.00 0.59 -0.04 0.00 -1.43 0.00 0.00 32.58 31.70 2iy1 s HIS 93 CO 0.00 -0.82 0.21 -1.54 -2.00 0.00 0.00 174.74 170.58 2iy1 s SER 94 N -2.73 6.42 -0.05 7.38 1.04 -1.26 -5.11 113.70 119.40 2iy1 s SER 94 Ca 0.05 0.45 -0.04 0.00 0.48 0.00 0.00 55.95 56.89 2iy1 s SER 94 Cb -0.02 -2.05 -0.04 0.00 0.10 0.00 0.00 66.02 64.01 2iy1 s SER 94 CO -0.07 0.29 0.17 0.42 0.98 0.00 0.00 173.24 175.03 2iy1 s THR 95 N -1.26 5.46 -0.04 2.02 -4.23 -1.26 -5.07 115.64 111.26 2iy1 s THR 95 Ca 0.25 -0.02 -0.30 0.00 -1.18 0.00 0.00 61.69 60.44 2iy1 s THR 95 Cb -0.13 -3.49 -0.04 0.00 1.34 0.00 0.00 72.50 70.18 2iy1 s THR 95 CO 0.15 0.43 1.21 -0.69 -0.54 0.00 0.00 174.62 175.17 2iy1 s VAL 96 N -1.22 4.22 0.00 2.29 1.01 -1.26 -5.33 120.40 120.11 2iy1 s VAL 96 Ca 0.23 1.55 0.00 0.00 0.00 0.00 0.00 61.98 63.76 2iy1 s VAL 96 Cb -0.12 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.26 2iy1 s VAL 96 CO 0.14 0.01 0.00 0.00 0.00 0.00 0.00 175.10 175.25