#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ui9 s VAL 2 N 0.00 1.43 -0.07 1.12 1.01 -1.26 -1.94 120.40 120.70 1ui9 s VAL 2 Ca 0.00 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1ui9 s VAL 2 Cb 0.00 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 35.20 1ui9 s VAL 2 CO 0.00 0.40 -0.13 -0.13 0.00 0.00 0.00 175.10 175.23 1ui9 s ARG 3 N -0.45 1.82 0.27 2.72 1.81 0.88 -4.94 118.95 121.06 1ui9 s ARG 3 Ca 0.07 -0.46 -0.19 0.00 -1.72 0.00 0.00 55.73 53.43 1ui9 s ARG 3 Cb -0.07 -1.49 -0.09 0.00 -0.45 0.00 0.00 34.95 32.86 1ui9 s ARG 3 CO -0.01 0.05 0.76 0.20 -0.68 0.00 0.00 175.30 175.62 1ui9 s GLY 4 N 0.60 2.53 -0.10 -3.53 0.00 -1.26 -0.42 107.32 105.14 1ui9 s GLY 4 Ca -0.14 0.17 0.03 0.00 0.00 0.00 0.00 44.72 44.78 1ui9 s GLY 4 CO 0.04 0.48 -0.21 -0.42 0.00 0.00 0.00 173.10 172.99 1ui9 s ILE 5 N -1.71 1.88 0.04 0.90 1.01 0.86 -4.94 121.20 119.24 1ui9 s ILE 5 Ca 0.48 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 60.23 1ui9 s ILE 5 Cb -0.14 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 1ui9 s ILE 5 CO 0.20 0.52 0.12 -0.13 0.00 0.00 0.00 174.94 175.65 1ui9 s ARG 6 N 0.48 3.13 0.04 2.79 1.81 -1.26 -0.90 118.95 125.04 1ui9 s ARG 6 Ca -0.16 -0.53 -0.10 0.00 -1.72 0.00 0.00 55.73 53.22 1ui9 s ARG 6 Cb -0.17 -2.88 0.00 0.00 -0.45 0.00 0.00 34.95 31.45 1ui9 s ARG 6 CO 0.06 0.61 0.20 0.20 -0.68 0.00 0.00 175.30 175.70 1ui9 s GLY 7 N -2.17 0.02 -0.20 -3.53 0.00 -0.40 -1.51 107.32 99.53 1ui9 s GLY 7 Ca 0.28 -0.26 -0.24 0.00 0.00 0.00 0.00 44.72 44.51 1ui9 s GLY 7 CO 0.21 -0.43 0.64 0.00 0.00 0.00 0.00 173.10 173.52 1ui9 s ALA 8 N -2.53 -1.61 -0.04 3.20 0.00 -0.23 -0.93 121.76 119.62 1ui9 s ALA 8 Ca -0.05 1.70 -0.20 0.00 0.00 0.00 0.00 51.96 53.40 1ui9 s ALA 8 Cb -0.01 -0.85 0.04 0.00 0.00 0.00 0.00 23.12 22.30 1ui9 s ALA 8 CO -0.04 -0.32 0.44 -1.50 0.00 0.00 0.00 175.76 174.35 1ui9 s ILE 9 N 0.02 0.04 0.28 0.00 2.07 -0.72 -1.05 121.20 121.83 1ui9 s ILE 9 Ca -0.02 -0.29 0.08 0.00 -1.41 0.00 0.00 60.65 59.01 1ui9 s ILE 9 Cb -0.04 -0.74 -0.04 0.00 0.13 0.00 0.00 42.46 41.77 1ui9 s ILE 9 CO 0.03 -0.16 0.12 0.42 -1.91 0.00 0.00 174.94 173.43 1ui9 s THR 10 N -1.19 3.76 0.02 4.00 -4.23 -1.25 -1.19 115.64 115.56 1ui9 s THR 10 Ca -0.12 -1.65 0.07 0.00 -1.18 0.00 0.00 61.69 58.81 1ui9 s THR 10 Cb -0.03 -3.10 -0.02 0.00 1.34 0.00 0.00 72.50 70.68 1ui9 s THR 10 CO 0.06 -0.32 -0.20 0.68 -0.54 0.00 0.00 174.62 174.30 1ui9 s VAL 11 N -2.27 1.57 -0.23 2.29 -7.23 -0.86 -4.84 120.40 108.82 1ui9 s VAL 11 Ca 0.34 -1.04 0.24 0.00 -1.81 0.00 0.00 61.98 59.70 1ui9 s VAL 11 Cb -0.06 -1.35 0.30 0.00 0.56 0.00 0.00 36.38 35.82 1ui9 s VAL 11 CO 0.23 0.28 1.68 -0.33 -0.31 0.00 0.00 175.10 176.64 1ui9 h GLU 12 N 5.17 0.00 -4.05 4.82 4.39 -1.94 -3.45 114.58 119.52 1ui9 h GLU 12 Ca -0.41 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.12 1ui9 h GLU 12 Cb 1.15 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.60 1ui9 h GLU 12 CO 0.45 0.10 -0.70 -1.21 -1.16 0.00 0.00 179.01 176.49 1ui9 s GLU 13 N -3.30 0.34 -1.18 2.33 2.02 -1.26 -5.08 118.70 112.57 1ui9 s GLU 13 Ca 0.05 -0.64 -0.15 0.00 0.02 0.00 0.00 54.97 54.24 1ui9 s GLU 13 Cb 0.07 0.07 0.15 0.00 0.10 0.00 0.00 34.13 34.51 1ui9 s GLU 13 CO 0.65 -0.04 1.44 0.34 0.02 0.00 0.00 175.26 177.67 1ui9 s ASP 14 N -1.51 6.96 0.04 -0.19 2.15 -1.26 -4.67 116.67 118.18 1ui9 s ASP 14 Ca -0.15 -2.73 0.01 0.00 0.43 0.00 0.00 52.55 50.11 1ui9 s ASP 14 Cb -0.10 -2.43 -0.02 0.00 -0.30 0.00 0.00 42.92 40.07 1ui9 s ASP 14 CO -0.01 -0.88 -0.05 0.42 -0.17 0.00 0.00 175.17 174.48 1ui9 s THR 15 N 2.23 0.32 0.29 1.71 -4.23 -1.26 -4.85 115.64 109.85 1ui9 s THR 15 Ca 0.43 -1.10 -0.03 0.00 -1.18 0.00 0.00 61.69 59.81 1ui9 s THR 15 Cb -0.02 -0.57 0.26 0.00 1.34 0.00 0.00 72.50 73.51 1ui9 s THR 15 CO -0.00 -0.51 1.96 -0.65 -0.54 0.00 0.00 174.62 174.87 1ui9 h PRO 16 N 4.38 1.14 -0.15 3.99 0.11 -1.92 -1.89 132.00 137.65 1ui9 h PRO 16 Ca -0.34 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 65.70 1ui9 h PRO 16 Cb 1.20 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1ui9 h PRO 16 CO 0.44 0.75 0.09 0.93 -0.21 0.00 0.00 178.00 180.00 1ui9 h GLU 17 N 1.17 0.21 -0.66 1.05 3.07 -1.97 0.64 114.58 118.09 1ui9 h GLU 17 Ca 0.33 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 59.13 1ui9 h GLU 17 Cb -0.11 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 27.73 1ui9 h GLU 17 CO -0.07 0.19 0.28 0.00 -1.40 0.00 0.00 179.01 178.01 1ui9 h ALA 18 N 1.00 0.85 -0.65 3.43 0.00 -1.80 -1.61 119.26 120.47 1ui9 h ALA 18 Ca 0.05 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1ui9 h ALA 18 Cb 0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1ui9 h ALA 18 CO -0.01 0.45 0.08 0.82 0.00 0.00 0.00 179.25 180.59 1ui9 h ILE 19 N 0.92 1.26 0.20 0.00 2.04 -1.17 -1.89 117.51 118.88 1ui9 h ILE 19 Ca 0.22 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 1ui9 h ILE 19 Cb 0.17 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1ui9 h ILE 19 CO -0.02 0.40 -0.10 -0.74 0.00 0.00 0.00 178.15 177.69 1ui9 h HIS 20 N 1.01 -0.25 -0.58 1.37 2.76 -0.59 -1.27 115.15 117.60 1ui9 h HIS 20 Ca 0.20 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 1ui9 h HIS 20 Cb 0.47 0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.49 1ui9 h HIS 20 CO 0.03 -0.07 0.37 0.37 -1.30 0.00 0.00 177.93 177.34 1ui9 h GLN 21 N -0.39 0.78 -0.36 5.26 -0.00 -1.27 -1.55 115.11 117.59 1ui9 h GLN 21 Ca -0.03 -0.06 -0.02 0.00 -0.00 0.00 0.00 58.65 58.54 1ui9 h GLN 21 Cb 0.30 -0.17 -0.02 0.00 0.00 0.00 0.00 27.48 27.59 1ui9 h GLN 21 CO 0.05 0.54 0.15 0.00 0.00 0.00 0.00 178.83 179.57 1ui9 h ALA 22 N 1.19 0.47 -0.51 3.38 0.00 -1.29 -1.14 119.26 121.37 1ui9 h ALA 22 Ca 0.21 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ui9 h ALA 22 Cb -0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1ui9 h ALA 22 CO -0.04 0.06 0.31 1.15 0.00 0.00 0.00 179.25 180.73 1ui9 h THR 23 N 0.44 1.15 -0.27 0.00 2.02 -1.03 -1.05 112.91 114.17 1ui9 h THR 23 Ca 0.12 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 1ui9 h THR 23 Cb 0.17 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 1ui9 h THR 23 CO -0.01 0.15 0.16 -0.09 0.37 0.00 0.00 175.52 176.10 1ui9 h ARG 24 N 0.68 0.37 -0.58 6.66 2.43 -1.11 -0.56 114.38 122.27 1ui9 h ARG 24 Ca 0.18 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 1ui9 h ARG 24 Cb -0.02 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 1ui9 h ARG 24 CO -0.04 0.29 0.34 1.49 -1.51 0.00 0.00 179.97 180.55 1ui9 h GLU 25 N 0.34 0.65 -0.16 0.20 4.81 -0.93 -0.94 114.58 118.55 1ui9 h GLU 25 Ca 0.10 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1ui9 h GLU 25 Cb 0.02 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1ui9 h GLU 25 CO -0.02 0.43 0.04 1.25 -0.73 0.00 0.00 179.01 179.98 1ui9 h LEU 26 N 0.67 0.24 -0.35 1.64 5.85 -0.89 -1.84 115.31 120.64 1ui9 h LEU 26 Ca 0.24 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1ui9 h LEU 26 Cb 0.06 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1ui9 h LEU 26 CO -0.12 0.41 0.17 -0.07 -0.34 0.00 0.00 178.44 178.50 1ui9 h LEU 27 N 0.06 0.25 -0.76 2.25 3.38 -0.86 -0.48 115.31 119.16 1ui9 h LEU 27 Ca 0.05 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1ui9 h LEU 27 Cb 0.27 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1ui9 h LEU 27 CO 0.00 0.19 0.41 -0.07 0.09 0.00 0.00 178.44 179.06 1ui9 h LEU 28 N 0.36 0.94 -0.76 1.67 3.38 -1.11 -2.07 115.31 117.73 1ui9 h LEU 28 Ca 0.15 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1ui9 h LEU 28 Cb 0.06 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1ui9 h LEU 28 CO -0.10 0.77 -0.45 0.11 0.09 0.00 0.00 178.44 178.86 1ui9 h LYS 29 N 1.04 0.39 -0.59 1.13 1.57 -1.00 -0.23 116.57 118.89 1ui9 h LYS 29 Ca 0.27 -0.21 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 1ui9 h LYS 29 Cb 0.04 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1ui9 h LYS 29 CO -0.04 0.77 0.05 0.52 -0.57 0.00 0.00 179.45 180.17 1ui9 h MET 30 N 0.32 0.99 -0.17 3.15 2.86 -0.80 0.18 114.93 121.45 1ui9 h MET 30 Ca 0.02 -0.27 -0.06 0.00 -2.06 0.00 0.00 59.70 57.33 1ui9 h MET 30 Cb 0.92 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.47 1ui9 h MET 30 CO 0.08 0.94 -0.12 -0.07 1.06 0.00 0.00 176.91 178.80 1ui9 h LEU 31 N 0.92 0.40 -0.37 1.22 3.38 -1.16 -3.02 115.31 116.68 1ui9 h LEU 31 Ca 0.18 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1ui9 h LEU 31 Cb 0.47 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1ui9 h LEU 31 CO 0.02 0.75 0.17 -0.08 0.09 0.00 0.00 178.44 179.39 1ui9 h GLU 32 N 0.05 0.54 0.00 1.13 4.81 -0.84 -1.61 114.58 118.65 1ui9 h GLU 32 Ca 0.03 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1ui9 h GLU 32 Cb 0.62 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 1ui9 h GLU 32 CO 0.03 0.50 -0.02 0.00 -0.73 0.00 0.00 179.01 178.79 1ui9 h ALA 33 N 1.01 1.76 -0.51 2.92 0.00 -0.68 -2.26 119.26 121.50 1ui9 h ALA 33 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ui9 h ALA 33 Cb 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ui9 h ALA 33 CO -0.01 0.02 0.00 0.09 0.00 0.00 0.00 179.25 179.35 1ui9 n ASN 34 N -4.21 3.63 -2.84 0.00 3.02 -1.08 -4.73 115.26 109.04 1ui9 n ASN 34 Ca -0.03 -2.16 -0.20 0.00 -0.03 0.00 0.00 54.58 52.17 1ui9 n ASN 34 Cb 0.10 -0.40 0.01 0.00 -0.61 0.00 0.00 39.78 38.89 1ui9 n ASN 34 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ui9 n GLY 35 N 0.88 -0.50 3.67 7.41 0.00 -0.85 -4.92 105.19 110.88 1ui9 n GLY 35 Ca 0.19 0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 1ui9 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ui9 s ILE 36 N -2.95 4.15 0.01 -0.61 1.01 -0.66 -4.92 121.20 117.24 1ui9 s ILE 36 Ca 0.19 1.42 0.10 0.00 0.00 0.00 0.00 60.65 62.36 1ui9 s ILE 36 Cb -0.09 -3.92 -0.23 0.00 0.01 0.00 0.00 42.46 38.23 1ui9 s ILE 36 CO 0.24 -0.10 0.85 1.56 0.00 0.00 0.00 174.94 177.49 1ui9 h GLN 37 N 8.23 0.02 -3.93 2.79 1.08 -1.91 -3.45 115.11 117.93 1ui9 h GLN 37 Ca -0.30 -0.03 -0.18 0.00 -1.45 0.00 0.00 58.65 56.69 1ui9 h GLN 37 Cb 1.13 0.01 -0.23 0.00 -0.05 0.00 0.00 27.48 28.34 1ui9 h GLN 37 CO 0.95 0.68 -0.70 0.45 -0.95 0.00 0.00 178.83 179.26 1ui9 s SER 38 N -6.33 0.20 0.52 1.46 0.15 -1.26 -5.02 113.70 103.42 1ui9 s SER 38 Ca -0.03 -0.39 0.33 0.00 0.70 0.00 0.00 55.95 56.55 1ui9 s SER 38 Cb 0.08 0.08 1.38 0.00 -1.71 0.00 0.00 66.02 65.86 1ui9 s SER 38 CO 0.82 -0.23 1.98 1.88 1.20 0.00 0.00 173.24 178.88 1ui9 h TYR 39 N 4.97 0.00 0.00 3.44 0.05 -1.97 -2.68 116.97 120.78 1ui9 h TYR 39 Ca -0.30 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.48 1ui9 h TYR 39 Cb 1.21 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.95 1ui9 h TYR 39 CO 0.61 0.00 0.00 0.39 -1.05 0.00 0.00 178.16 178.11 1ui9 n GLU 40 N -2.99 0.14 0.12 4.88 1.02 -1.26 -0.85 120.64 121.70 1ui9 n GLU 40 Ca 0.01 0.60 0.13 0.00 -0.02 0.00 0.00 57.16 57.88 1ui9 n GLU 40 Cb 0.28 -1.92 0.37 0.00 -0.02 0.00 0.00 31.44 30.16 1ui9 n GLU 40 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1ui9 h GLU 41 N 0.00 0.00 -5.52 3.49 5.08 -1.83 -3.45 114.58 112.35 1ui9 h GLU 41 Ca 0.00 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.75 1ui9 h GLU 41 Cb 0.05 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.19 1ui9 h GLU 41 CO 0.00 0.00 0.09 -0.51 -1.00 0.00 0.00 179.01 177.59 1ui9 s LEU 42 N -4.77 4.09 0.11 1.33 1.43 -0.03 -1.33 118.68 119.50 1ui9 s LEU 42 Ca 0.10 0.70 -0.14 0.00 -1.03 0.00 0.00 54.13 53.76 1ui9 s LEU 42 Cb 0.11 -2.80 -0.09 0.00 0.03 0.00 0.00 46.19 43.44 1ui9 s LEU 42 CO 0.61 -0.30 1.41 0.00 0.23 0.00 0.00 176.35 178.30 1ui9 h ALA 43 N 7.75 0.43 -1.54 4.21 0.00 -0.76 -3.46 119.26 125.89 1ui9 h ALA 43 Ca -0.29 -0.43 0.29 0.00 0.00 0.00 0.00 54.91 54.47 1ui9 h ALA 43 Cb 1.14 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.70 1ui9 h ALA 43 CO 0.76 0.50 0.79 0.00 0.00 0.00 0.00 179.25 181.30 1ui9 s ALA 44 N -4.28 -2.14 -0.04 0.00 0.00 -1.22 -4.48 121.76 109.60 1ui9 s ALA 44 Ca -0.12 0.90 0.00 0.00 0.00 0.00 0.00 51.96 52.74 1ui9 s ALA 44 Cb 0.09 0.26 0.03 0.00 0.00 0.00 0.00 23.12 23.49 1ui9 s ALA 44 CO 0.85 -0.92 -0.01 0.08 0.00 0.00 0.00 175.76 175.75 1ui9 s VAL 45 N -2.51 0.30 -0.08 0.00 1.01 -0.30 -0.85 120.40 117.96 1ui9 s VAL 45 Ca 0.12 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.17 1ui9 s VAL 45 Cb 0.03 -0.38 -0.02 0.00 0.00 0.00 0.00 36.38 36.01 1ui9 s VAL 45 CO -0.04 0.18 -0.15 -0.63 0.00 0.00 0.00 175.10 174.46 1ui9 s ILE 46 N 1.12 2.90 0.14 2.22 1.01 -0.30 -1.87 121.20 126.41 1ui9 s ILE 46 Ca -0.08 -0.75 0.09 0.00 0.00 0.00 0.00 60.65 59.90 1ui9 s ILE 46 Cb -0.14 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 1ui9 s ILE 46 CO -0.02 0.56 -0.14 -0.36 0.00 0.00 0.00 174.94 174.99 1ui9 s PHE 47 N -0.19 2.60 0.03 3.97 0.08 0.97 -0.46 117.98 124.97 1ui9 s PHE 47 Ca -0.00 -0.23 0.05 0.00 0.12 0.00 0.00 56.93 56.86 1ui9 s PHE 47 Cb -0.13 -1.33 -0.02 0.00 -0.57 0.00 0.00 43.02 40.96 1ui9 s PHE 47 CO 0.03 0.44 -0.15 0.95 -0.10 0.00 0.00 175.22 176.39 1ui9 s THR 48 N -1.37 1.19 -0.04 0.64 -4.23 -0.58 -1.03 115.64 110.22 1ui9 s THR 48 Ca 0.21 -0.92 0.04 0.00 -1.18 0.00 0.00 61.69 59.84 1ui9 s THR 48 Cb -0.10 -1.05 -0.00 0.00 1.34 0.00 0.00 72.50 72.69 1ui9 s THR 48 CO 0.12 0.11 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.48 1ui9 s VAL 49 N -0.71 1.27 0.60 2.29 1.01 -0.74 -1.36 120.40 122.76 1ui9 s VAL 49 Ca 0.03 -0.63 -0.15 0.00 0.00 0.00 0.00 61.98 61.23 1ui9 s VAL 49 Cb -0.07 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1ui9 s VAL 49 CO 0.01 0.37 1.05 0.42 0.00 0.00 0.00 175.10 176.95 1ui9 s THR 50 N 0.07 3.95 -0.41 3.92 -4.23 -1.07 -1.57 115.64 116.31 1ui9 s THR 50 Ca -0.03 0.88 0.20 0.00 -1.18 0.00 0.00 61.69 61.56 1ui9 s THR 50 Cb -0.11 -3.44 0.21 0.00 1.34 0.00 0.00 72.50 70.50 1ui9 s THR 50 CO 0.02 -0.59 1.62 -1.84 -0.54 0.00 0.00 174.62 173.29 1ui9 n GLU 51 N -2.13 0.15 -0.11 3.99 0.28 -1.26 -2.13 120.64 119.43 1ui9 n GLU 51 Ca 0.08 0.52 0.07 0.00 -0.16 0.00 0.00 57.16 57.67 1ui9 n GLU 51 Cb 0.53 -1.87 0.24 0.00 1.43 0.00 0.00 31.44 31.77 1ui9 n GLU 51 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1ui9 n ASP 52 N -2.16 1.38 -4.42 -1.84 5.68 -1.26 -4.73 116.55 109.20 1ui9 n ASP 52 Ca 0.00 -1.86 -0.33 0.00 -0.50 0.00 0.00 54.79 52.11 1ui9 n ASP 52 Cb 0.12 -0.14 -0.14 0.00 -1.14 0.00 0.00 41.12 39.82 1ui9 n ASP 52 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1ui9 s LEU 53 N -1.22 2.77 0.00 -2.12 1.43 -0.91 -4.83 118.68 113.80 1ui9 s LEU 53 Ca 0.23 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 1ui9 s LEU 53 Cb 0.12 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.74 1ui9 s LEU 53 CO 0.17 0.23 0.00 0.41 0.23 0.00 0.00 176.35 177.39 1ui9 n THR 54 N 3.10 0.00 -2.60 5.49 -1.04 -1.26 -4.77 114.28 113.20 1ui9 n THR 54 Ca -0.18 0.31 -0.43 0.00 -2.04 0.00 0.00 64.05 61.71 1ui9 n THR 54 Cb 0.53 -1.30 0.00 0.00 -1.82 0.00 0.00 70.33 67.74 1ui9 n THR 54 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1ui9 n PHE 55 N -2.19 3.95 -3.61 -1.42 3.72 -1.26 -4.95 117.46 111.71 1ui9 n PHE 55 Ca 0.00 -3.06 -0.39 0.00 -0.05 0.00 0.00 57.45 53.96 1ui9 n PHE 55 Cb 0.00 -2.11 -0.11 0.00 -0.94 0.00 0.00 39.48 36.32 1ui9 n PHE 55 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ui9 s ALA 56 N 1.19 3.40 -0.56 4.37 0.00 -1.26 -3.84 121.76 125.06 1ui9 s ALA 56 Ca 0.42 -1.30 0.06 0.00 0.00 0.00 0.00 51.96 51.14 1ui9 s ALA 56 Cb 0.04 -2.47 0.33 0.00 0.00 0.00 0.00 23.12 21.02 1ui9 s ALA 56 CO 0.00 -0.81 0.89 1.19 0.00 0.00 0.00 175.76 177.03 1ui9 n PHE 57 N 5.04 3.45 -0.06 0.00 3.72 -1.26 -4.90 117.46 123.44 1ui9 n PHE 57 Ca -0.14 -3.98 0.19 0.00 -0.05 0.00 0.00 57.45 53.47 1ui9 n PHE 57 Cb 0.50 -0.49 0.63 0.00 -0.94 0.00 0.00 39.48 39.18 1ui9 n PHE 57 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1ui9 h PRO 58 N 3.12 0.14 -0.46 -1.08 0.13 -1.94 -0.84 132.00 131.06 1ui9 h PRO 58 Ca 0.13 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1ui9 h PRO 58 Cb 0.58 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.66 1ui9 h PRO 58 CO 0.77 0.09 0.29 0.00 -0.23 0.00 0.00 178.00 178.93 1ui9 h ALA 59 N 1.70 1.64 0.00 -0.56 0.00 -1.99 -1.66 119.26 118.39 1ui9 h ALA 59 Ca 0.30 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1ui9 h ALA 59 Cb 0.97 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1ui9 h ALA 59 CO -0.04 0.32 -0.30 0.93 0.00 0.00 0.00 179.25 180.16 1ui9 h GLU 60 N 0.63 0.00 -0.27 0.00 4.39 -1.57 -1.03 114.58 116.73 1ui9 h GLU 60 Ca 0.17 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.69 1ui9 h GLU 60 Cb -0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1ui9 h GLU 60 CO -0.03 0.30 -0.52 0.00 -1.16 0.00 0.00 179.01 177.60 1ui9 h ALA 61 N 1.70 0.43 -0.59 3.43 0.00 -1.36 -0.98 119.26 121.89 1ui9 h ALA 61 Ca -0.00 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.32 1ui9 h ALA 61 Cb 0.63 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1ui9 h ALA 61 CO 0.04 0.62 0.02 0.00 0.00 0.00 0.00 179.25 179.94 1ui9 h ALA 62 N 0.66 0.93 -0.56 0.00 0.00 -1.18 -2.84 119.26 116.28 1ui9 h ALA 62 Ca 0.01 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 1ui9 h ALA 62 Cb 1.12 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1ui9 h ALA 62 CO 0.12 0.65 0.09 -0.09 0.00 0.00 0.00 179.25 180.01 1ui9 h ARG 63 N 0.93 0.93 -0.70 0.00 2.43 -1.06 0.27 114.38 117.17 1ui9 h ARG 63 Ca 0.17 -0.25 0.04 0.00 -0.81 0.00 0.00 59.98 59.14 1ui9 h ARG 63 Cb 0.51 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.91 1ui9 h ARG 63 CO 0.02 0.89 0.46 0.37 -1.51 0.00 0.00 179.97 180.21 1ui9 h GLN 64 N 0.82 0.78 -0.35 0.20 4.15 -0.94 -0.39 115.11 119.38 1ui9 h GLN 64 Ca 0.17 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.54 1ui9 h GLN 64 Cb 0.41 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.93 1ui9 h GLN 64 CO 0.01 0.52 0.00 0.44 -1.93 0.00 0.00 178.83 177.87 1ui9 n ILE 65 N -4.46 0.46 -0.38 2.39 -5.35 -1.11 -4.91 119.36 106.00 1ui9 n ILE 65 Ca 0.09 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.13 1ui9 n ILE 65 Cb 0.16 0.20 0.00 0.00 -1.74 0.00 0.00 39.64 38.26 1ui9 n ILE 65 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ui9 n GLY 66 N 1.00 0.79 1.63 3.28 0.00 -0.16 -4.97 105.19 106.76 1ui9 n GLY 66 Ca 0.11 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 1ui9 n GLY 66 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ui9 n MET 67 N -2.38 1.43 -0.36 1.61 2.81 0.06 -4.50 117.12 115.79 1ui9 n MET 67 Ca 0.00 -0.88 0.07 0.00 -1.81 0.00 0.00 57.70 55.08 1ui9 n MET 67 Cb 0.00 -1.35 0.24 0.00 -0.71 0.00 0.00 33.22 31.40 1ui9 n MET 67 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1ui9 h HIS 68 N 1.01 1.13 -0.10 2.03 3.86 -1.82 -2.11 115.15 119.15 1ui9 h HIS 68 Ca 0.17 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 1ui9 h HIS 68 Cb 1.10 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 29.21 1ui9 h HIS 68 CO 0.53 0.44 0.00 0.54 0.86 0.00 0.00 177.93 180.30 1ui9 n ARG 69 N -4.63 1.73 -3.23 2.45 5.12 -1.26 -4.84 116.66 112.00 1ui9 n ARG 69 Ca 0.19 -1.08 -0.40 0.00 -1.93 0.00 0.00 57.85 54.64 1ui9 n ARG 69 Cb 0.36 -1.44 -0.07 0.00 -1.16 0.00 0.00 32.46 30.15 1ui9 n ARG 69 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1ui9 s VAL 70 N -1.89 5.07 0.14 1.55 1.01 -0.80 -5.03 120.40 120.46 1ui9 s VAL 70 Ca 0.35 0.91 -0.31 0.00 0.00 0.00 0.00 61.98 62.93 1ui9 s VAL 70 Cb 0.19 -3.84 -0.09 0.00 0.00 0.00 0.00 36.38 32.64 1ui9 s VAL 70 CO 0.30 0.10 1.52 -2.16 0.00 0.00 0.00 175.10 174.86 1ui9 s PRO 71 N 2.22 4.24 0.10 2.72 0.04 -1.26 -4.88 135.00 138.17 1ui9 s PRO 71 Ca 0.22 2.28 0.09 0.00 0.04 0.00 0.00 61.00 63.63 1ui9 s PRO 71 Cb -0.16 -3.21 -0.03 0.00 0.04 0.00 0.00 34.50 31.14 1ui9 s PRO 71 CO 0.09 -0.57 -0.23 -0.51 0.04 0.00 0.00 177.00 175.82 1ui9 s LEU 72 N 1.23 2.28 -0.05 -3.56 1.43 -1.26 -1.15 118.68 117.59 1ui9 s LEU 72 Ca 0.69 -0.67 -0.06 0.00 -1.03 0.00 0.00 54.13 53.06 1ui9 s LEU 72 Cb -0.42 -1.02 0.01 0.00 0.03 0.00 0.00 46.19 44.80 1ui9 s LEU 72 CO 0.31 0.12 0.16 -0.22 0.23 0.00 0.00 176.35 176.95 1ui9 s LEU 73 N -1.79 1.41 -0.09 1.79 2.96 -0.78 -4.99 118.68 117.19 1ui9 s LEU 73 Ca 0.09 0.27 0.01 0.00 -0.22 0.00 0.00 54.13 54.28 1ui9 s LEU 73 Cb -0.10 0.56 0.02 0.00 0.50 0.00 0.00 46.19 47.17 1ui9 s LEU 73 CO 0.04 -0.08 -0.10 -0.44 -1.32 0.00 0.00 176.35 174.45 1ui9 s SER 74 N -0.05 1.93 0.20 3.68 0.01 -1.26 -0.02 113.70 118.18 1ui9 s SER 74 Ca -0.01 -0.30 0.08 0.00 1.31 0.00 0.00 55.95 57.03 1ui9 s SER 74 Cb -0.02 -0.83 -0.05 0.00 0.21 0.00 0.00 66.02 65.34 1ui9 s SER 74 CO 0.00 -0.04 -0.15 0.00 0.41 0.00 0.00 173.24 173.47 1ui9 s ALA 75 N 1.13 2.00 0.01 1.44 0.00 -0.20 -4.97 121.76 121.16 1ui9 s ALA 75 Ca -0.06 -1.62 -0.30 0.00 0.00 0.00 0.00 51.96 49.98 1ui9 s ALA 75 Cb -0.14 -0.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.83 1ui9 s ALA 75 CO -0.02 0.09 1.26 0.50 0.00 0.00 0.00 175.76 177.60 1ui9 s ARG 76 N -3.48 4.36 0.34 0.00 3.52 -1.26 -1.79 118.95 120.65 1ui9 s ARG 76 Ca 0.21 1.81 -0.28 0.00 -0.13 0.00 0.00 55.73 57.34 1ui9 s ARG 76 Cb -0.02 -3.46 -0.10 0.00 -1.56 0.00 0.00 34.95 29.82 1ui9 s ARG 76 CO 0.07 -0.41 1.23 -2.00 -0.81 0.00 0.00 175.30 173.38 1ui9 s GLU 77 N 1.74 4.30 -0.19 5.12 2.56 -0.61 -4.83 118.70 126.80 1ui9 s GLU 77 Ca 0.60 2.03 -0.37 0.00 0.00 0.00 0.00 54.97 57.23 1ui9 s GLU 77 Cb -0.29 -2.97 -0.13 0.00 2.00 0.00 0.00 34.13 32.74 1ui9 s GLU 77 CO 0.26 -0.16 1.86 0.28 -0.56 0.00 0.00 175.26 176.94 1ui9 n VAL 78 N 0.64 0.44 -1.49 3.70 0.31 -1.26 -4.69 118.33 115.98 1ui9 n VAL 78 Ca 0.01 -0.10 -0.42 0.00 -0.01 0.00 0.00 64.34 63.82 1ui9 n VAL 78 Cb 0.44 -1.62 -0.02 0.00 -0.91 0.00 0.00 33.84 31.73 1ui9 n VAL 78 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1ui9 n PRO 79 N 6.35 2.36 -2.26 5.55 -0.04 -1.26 -4.97 135.00 140.73 1ui9 n PRO 79 Ca 0.26 -2.30 -0.42 0.00 -0.04 0.00 0.00 63.50 61.00 1ui9 n PRO 79 Cb 0.23 -3.13 -0.03 0.00 -0.04 0.00 0.00 33.50 30.53 1ui9 n PRO 79 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ui9 s VAL 80 N 3.84 3.83 0.36 0.52 1.01 -1.26 -4.96 120.40 123.75 1ui9 s VAL 80 Ca 0.51 1.17 -0.28 0.00 0.00 0.00 0.00 61.98 63.39 1ui9 s VAL 80 Cb 0.14 -3.75 -0.12 0.00 0.00 0.00 0.00 36.38 32.65 1ui9 s VAL 80 CO -0.01 -0.02 1.37 -2.65 0.00 0.00 0.00 175.10 173.79 1ui9 n PRO 81 N 5.65 2.35 -0.86 2.72 -0.02 -1.26 -2.22 135.00 141.36 1ui9 n PRO 81 Ca 0.13 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1ui9 n PRO 81 Cb 0.44 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1ui9 n PRO 81 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ui9 n GLY 82 N 0.63 0.56 3.78 -1.23 0.00 -1.26 -5.01 105.19 102.67 1ui9 n GLY 82 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1ui9 n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ui9 s SER 83 N -2.48 3.89 -0.13 1.61 1.04 -0.94 -4.90 113.70 111.78 1ui9 s SER 83 Ca 0.00 1.16 -0.38 0.00 0.48 0.00 0.00 55.95 57.21 1ui9 s SER 83 Cb 0.00 -1.82 -0.15 0.00 0.10 0.00 0.00 66.02 64.15 1ui9 s SER 83 CO 0.00 -2.33 1.67 -0.11 0.98 0.00 0.00 173.24 173.45 1ui9 n LEU 84 N -3.65 2.47 -4.85 2.42 7.94 -1.26 -4.92 117.00 115.16 1ui9 n LEU 84 Ca 0.07 1.07 -0.32 0.00 -1.11 0.00 0.00 56.01 55.71 1ui9 n LEU 84 Cb 0.58 -1.21 -0.03 0.00 0.53 0.00 0.00 43.42 43.28 1ui9 n LEU 84 CO 0.57 -0.48 0.69 -2.16 -1.11 0.00 0.00 177.39 174.89 1ui9 s PRO 85 N 2.80 3.89 -0.99 1.96 0.04 -1.26 -4.52 135.00 136.92 1ui9 s PRO 85 Ca 0.93 0.93 -0.12 0.00 0.04 0.00 0.00 61.00 62.78 1ui9 s PRO 85 Cb -0.95 -2.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.46 1ui9 s PRO 85 CO 0.57 -0.32 0.74 0.54 0.04 0.00 0.00 177.00 178.57 1ui9 n ARG 86 N -1.75 -1.33 -5.04 4.56 1.74 -1.26 -4.74 116.66 108.85 1ui9 n ARG 86 Ca 0.06 0.75 -0.32 0.00 -0.77 0.00 0.00 57.85 57.57 1ui9 n ARG 86 Cb 0.54 -4.15 -0.15 0.00 -1.02 0.00 0.00 32.46 27.68 1ui9 n ARG 86 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ui9 s VAL 87 N -3.27 2.64 -0.20 1.55 1.01 -1.26 -2.04 120.40 118.83 1ui9 s VAL 87 Ca 0.28 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 1ui9 s VAL 87 Cb -0.10 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 1ui9 s VAL 87 CO 0.84 0.57 -0.06 -0.63 0.00 0.00 0.00 175.10 175.82 1ui9 s ILE 88 N -0.40 3.28 0.11 2.22 -1.09 -0.33 -2.59 121.20 122.39 1ui9 s ILE 88 Ca 0.04 -0.53 0.07 0.00 -2.23 0.00 0.00 60.65 58.00 1ui9 s ILE 88 Cb -0.12 -2.47 -0.04 0.00 -1.58 0.00 0.00 42.46 38.25 1ui9 s ILE 88 CO 0.02 0.45 -0.12 -0.13 -1.23 0.00 0.00 174.94 173.93 1ui9 s ARG 89 N 1.28 2.06 0.01 2.79 0.52 -0.46 -1.76 118.95 123.39 1ui9 s ARG 89 Ca 0.03 -1.05 0.04 0.00 -0.52 0.00 0.00 55.73 54.23 1ui9 s ARG 89 Cb -0.14 -2.26 -0.01 0.00 0.52 0.00 0.00 34.95 33.05 1ui9 s ARG 89 CO -0.03 0.50 -0.13 0.08 0.02 0.00 0.00 175.30 175.75 1ui9 s VAL 90 N -1.20 1.02 -0.30 3.52 1.01 -0.11 -1.52 120.40 122.82 1ui9 s VAL 90 Ca 0.21 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 1ui9 s VAL 90 Cb -0.11 -0.89 0.10 0.00 0.00 0.00 0.00 36.38 35.48 1ui9 s VAL 90 CO 0.13 0.14 0.09 -0.22 0.00 0.00 0.00 175.10 175.24 1ui9 s LEU 91 N -0.68 2.17 -0.17 3.92 2.96 0.39 -1.28 118.68 125.99 1ui9 s LEU 91 Ca 0.03 -1.56 -0.14 0.00 -0.22 0.00 0.00 54.13 52.24 1ui9 s LEU 91 Cb -0.06 -0.86 -0.04 0.00 0.50 0.00 0.00 46.19 45.73 1ui9 s LEU 91 CO 0.00 -0.40 0.32 0.00 -1.32 0.00 0.00 176.35 174.95 1ui9 s ALA 92 N 1.63 3.58 -0.41 5.97 0.00 -0.07 -1.15 121.76 131.30 1ui9 s ALA 92 Ca 0.08 -0.47 -0.18 0.00 0.00 0.00 0.00 51.96 51.39 1ui9 s ALA 92 Cb -0.17 -2.45 0.02 0.00 0.00 0.00 0.00 23.12 20.51 1ui9 s ALA 92 CO -0.23 -0.01 0.51 -0.51 0.00 0.00 0.00 175.76 175.52 1ui9 s LEU 93 N 0.68 4.65 -0.21 0.00 1.43 -0.03 -0.10 118.68 125.09 1ui9 s LEU 93 Ca 0.17 -0.44 -0.06 0.00 -1.03 0.00 0.00 54.13 52.77 1ui9 s LEU 93 Cb -0.13 -2.52 -0.03 0.00 0.03 0.00 0.00 46.19 43.54 1ui9 s LEU 93 CO 0.05 -0.61 0.04 0.86 0.23 0.00 0.00 176.35 176.92 1ui9 s TRP 94 N 2.37 3.10 -0.56 0.29 -0.00 0.44 -0.03 118.94 124.55 1ui9 s TRP 94 Ca 0.16 -0.32 -0.28 0.00 -0.00 0.00 0.00 56.10 55.67 1ui9 s TRP 94 Cb -0.16 -2.13 0.03 0.00 -0.00 0.00 0.00 33.47 31.21 1ui9 s TRP 94 CO 0.15 -0.18 1.15 -0.80 -0.00 0.00 0.00 176.95 177.26 1ui9 s ASN 95 N 1.04 6.46 0.10 5.86 0.01 -0.45 -0.09 114.94 127.88 1ui9 s ASN 95 Ca 0.03 0.11 -0.26 0.00 -0.71 0.00 0.00 52.86 52.03 1ui9 s ASN 95 Cb -0.14 -2.54 0.08 0.00 0.41 0.00 0.00 41.25 39.06 1ui9 s ASN 95 CO 0.02 -1.40 0.77 0.28 -1.51 0.00 0.00 177.10 175.26 1ui9 s THR 96 N 4.72 0.00 -1.53 1.60 -1.32 -0.82 -4.90 115.64 113.39 1ui9 s THR 96 Ca 0.42 -0.16 0.17 0.00 -1.21 0.00 0.00 61.69 60.92 1ui9 s THR 96 Cb -0.08 -1.19 0.49 0.00 -1.51 0.00 0.00 72.50 70.20 1ui9 s THR 96 CO 0.26 0.00 1.40 -0.90 -2.21 0.00 0.00 174.62 173.17 1ui9 n ASP 97 N -0.34 3.48 -4.70 8.08 5.68 -1.26 -4.26 116.55 123.23 1ui9 n ASP 97 Ca -0.11 -1.99 -0.43 0.00 -0.50 0.00 0.00 54.79 51.75 1ui9 n ASP 97 Cb 0.63 -0.36 -0.03 0.00 -1.14 0.00 0.00 41.12 40.21 1ui9 n ASP 97 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1ui9 n THR 98 N 1.15 0.01 -1.69 2.12 -1.04 -1.26 -4.92 114.28 108.64 1ui9 n THR 98 Ca 0.19 -0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.81 1ui9 n THR 98 Cb 0.53 -1.84 0.04 0.00 -1.82 0.00 0.00 70.33 67.25 1ui9 n THR 98 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1ui9 n PRO 99 N 3.77 1.40 -0.33 -2.82 -0.02 -1.26 -4.86 135.00 130.87 1ui9 n PRO 99 Ca 0.16 0.52 0.06 0.00 -2.02 0.00 0.00 63.50 62.23 1ui9 n PRO 99 Cb 0.33 -2.39 0.22 0.00 -0.02 0.00 0.00 33.50 31.64 1ui9 n PRO 99 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1ui9 h GLN 100 N 1.14 0.85 0.00 -0.52 4.15 -1.98 -0.14 115.11 118.62 1ui9 h GLN 100 Ca -0.49 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.88 1ui9 h GLN 100 Cb 1.33 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.82 1ui9 h GLN 100 CO 0.55 0.56 0.00 -0.40 -1.93 0.00 0.00 178.83 177.61 1ui9 n ASP 101 N -4.70 0.00 -0.11 -0.69 5.68 -1.26 -2.93 116.55 112.54 1ui9 n ASP 101 Ca 0.18 -0.07 0.09 0.00 -0.50 0.00 0.00 54.79 54.48 1ui9 n ASP 101 Cb 0.36 -0.27 -0.08 0.00 -1.14 0.00 0.00 41.12 40.00 1ui9 n ASP 101 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1ui9 n ARG 102 N -1.27 1.16 -2.33 0.11 5.12 -0.07 -4.95 116.66 114.43 1ui9 n ARG 102 Ca 0.11 -0.23 -0.41 0.00 -1.93 0.00 0.00 57.85 55.39 1ui9 n ARG 102 Cb 0.17 -1.35 -0.03 0.00 -1.16 0.00 0.00 32.46 30.08 1ui9 n ARG 102 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1ui9 s VAL 103 N -2.57 3.48 -0.30 1.55 1.01 -1.15 -4.97 120.40 117.45 1ui9 s VAL 103 Ca 0.09 1.24 -0.12 0.00 0.00 0.00 0.00 61.98 63.19 1ui9 s VAL 103 Cb 0.14 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1ui9 s VAL 103 CO 0.68 0.19 0.23 -0.13 0.00 0.00 0.00 175.10 176.07 1ui9 s ARG 104 N -0.21 3.80 -0.09 2.72 1.81 -1.26 -5.07 118.95 120.65 1ui9 s ARG 104 Ca 0.54 -0.39 -0.11 0.00 -1.72 0.00 0.00 55.73 54.05 1ui9 s ARG 104 Cb -0.34 -3.71 -0.05 0.00 -0.45 0.00 0.00 34.95 30.41 1ui9 s ARG 104 CO 0.37 -0.28 0.25 -1.01 -0.68 0.00 0.00 175.30 173.95 1ui9 s HIS 105 N 1.78 3.61 -0.20 -0.53 3.76 -1.26 -4.76 115.29 117.70 1ui9 s HIS 105 Ca 0.08 0.68 -0.03 0.00 -0.15 0.00 0.00 55.06 55.64 1ui9 s HIS 105 Cb -0.16 -2.12 -0.01 0.00 1.11 0.00 0.00 32.58 31.40 1ui9 s HIS 105 CO 0.11 0.62 -0.07 0.08 -0.85 0.00 0.00 174.74 174.62 1ui9 s VAL 106 N -0.77 3.17 -0.19 -0.90 1.01 -0.57 -5.01 120.40 117.14 1ui9 s VAL 106 Ca 0.18 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.60 1ui9 s VAL 106 Cb -0.14 -2.42 0.03 0.00 0.00 0.00 0.00 36.38 33.86 1ui9 s VAL 106 CO 0.07 0.45 -0.16 -0.31 0.00 0.00 0.00 175.10 175.15 1ui9 s TYR 107 N 1.31 2.68 0.24 5.22 2.02 -1.26 -1.07 117.35 126.49 1ui9 s TYR 107 Ca 0.04 -1.67 0.10 0.00 -0.37 0.00 0.00 57.07 55.17 1ui9 s TYR 107 Cb -0.14 -1.81 -0.05 0.00 -0.40 0.00 0.00 41.96 39.56 1ui9 s TYR 107 CO -0.04 -0.78 -0.11 -0.51 -1.57 0.00 0.00 175.55 172.54 1ui9 s LEU 108 N 1.31 2.88 0.00 -1.29 1.43 -0.22 -4.48 118.68 118.31 1ui9 s LEU 108 Ca 0.02 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 1ui9 s LEU 108 Cb -0.15 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 44.62 1ui9 s LEU 108 CO -0.11 0.05 0.00 0.54 0.23 0.00 0.00 176.35 177.06 1ui9 n ARG 109 N -0.48 0.00 0.14 1.70 1.74 -1.26 -1.26 116.66 117.24 1ui9 n ARG 109 Ca -0.08 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.13 1ui9 n ARG 109 Cb 0.58 0.00 0.51 0.00 -1.02 0.00 0.00 32.46 32.54 1ui9 n ARG 109 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1ui9 h GLU 110 N 0.00 0.00 0.00 5.56 4.39 -1.96 -2.90 114.58 119.67 1ui9 h GLU 110 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ui9 h GLU 110 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1ui9 h GLU 110 CO 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.85 1ui9 n ALA 111 N -1.80 1.45 0.29 3.43 0.00 -0.39 -2.08 120.51 121.41 1ui9 n ALA 111 Ca 0.02 0.07 0.16 0.00 0.00 0.00 0.00 53.44 53.69 1ui9 n ALA 111 Cb 0.23 -1.29 0.87 0.00 0.00 0.00 0.00 19.45 19.26 1ui9 n ALA 111 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1ui9 h VAL 112 N 0.00 0.38 0.00 0.00 -1.51 -1.63 -0.84 116.25 112.65 1ui9 h VAL 112 Ca 0.00 -0.30 0.00 0.00 -1.23 0.00 0.00 66.70 65.17 1ui9 h VAL 112 Cb 0.22 1.21 0.00 0.00 -2.13 0.00 0.00 31.29 30.59 1ui9 h VAL 112 CO 0.00 0.05 0.00 0.03 -1.23 0.00 0.00 177.57 176.42 1ui9 h ARG 113 N 0.00 0.00 -0.03 5.19 3.08 -1.69 -3.02 114.38 117.91 1ui9 h ARG 113 Ca -0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 1ui9 h ARG 113 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1ui9 h ARG 113 CO 0.01 0.00 -0.50 -0.07 -1.07 0.00 0.00 179.97 178.34 1ui9 h LEU 114 N 0.00 0.09 -9.47 3.04 3.38 -1.35 -3.43 115.31 107.57 1ui9 h LEU 114 Ca 0.00 -0.04 -0.67 0.00 0.09 0.00 0.00 57.88 57.26 1ui9 h LEU 114 Cb 0.45 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.07 1ui9 h LEU 114 CO 0.00 0.57 -0.54 -0.13 0.09 0.00 0.00 178.44 178.43 1ui9 s ARG 115 N -3.92 3.34 0.00 1.13 0.52 -1.14 -5.20 118.95 113.69 1ui9 s ARG 115 Ca -0.03 -0.24 0.28 0.00 -0.52 0.00 0.00 55.73 55.22 1ui9 s ARG 115 Cb 0.13 -3.06 1.70 0.00 0.52 0.00 0.00 34.95 34.24 1ui9 s ARG 115 CO 0.76 0.70 2.04 -0.35 0.02 0.00 0.00 175.30 178.47