#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ai9 s LEU 2 N 0.00 4.17 0.06 -0.89 1.43 -1.26 -5.05 118.68 117.14 1ai9 s LEU 2 Ca 0.00 1.93 0.04 0.00 -1.03 0.00 0.00 54.13 55.07 1ai9 s LEU 2 Cb 0.00 -4.18 -0.03 0.00 0.03 0.00 0.00 46.19 42.01 1ai9 s LEU 2 CO 0.00 -0.35 -0.12 -0.54 0.23 0.00 0.00 176.35 175.58 1ai9 s LYS 3 N -2.45 0.71 0.62 1.70 1.02 -1.26 -5.15 119.74 114.93 1ai9 s LYS 3 Ca 0.56 -0.86 -0.14 0.00 0.02 0.00 0.00 55.97 55.55 1ai9 s LYS 3 Cb -0.19 -0.63 -0.02 0.00 -0.52 0.00 0.00 37.83 36.46 1ai9 s LYS 3 CO 0.24 0.14 1.05 -1.25 -0.92 0.00 0.00 175.35 174.61 1ai9 s PRO 4 N -1.61 3.24 -0.48 -1.68 0.04 -1.26 -5.02 135.00 128.22 1ai9 s PRO 4 Ca -0.05 1.09 -0.17 0.00 0.04 0.00 0.00 61.00 61.92 1ai9 s PRO 4 Cb -0.10 -2.03 0.07 0.00 0.04 0.00 0.00 34.50 32.48 1ai9 s PRO 4 CO 0.01 -0.86 0.47 1.21 0.04 0.00 0.00 177.00 177.87 1ai9 s ASN 5 N -3.18 6.17 -0.02 6.66 2.47 -1.26 -4.98 114.94 120.80 1ai9 s ASN 5 Ca 0.61 -1.20 0.07 0.00 0.42 0.00 0.00 52.86 52.76 1ai9 s ASN 5 Cb -0.15 -2.22 -0.02 0.00 -1.45 0.00 0.00 41.25 37.41 1ai9 s ASN 5 CO 0.43 -0.73 -0.22 0.54 -3.72 0.00 0.00 177.10 173.41 1ai9 s VAL 6 N 1.95 2.41 0.04 -5.21 0.11 -1.25 -0.48 120.40 117.97 1ai9 s VAL 6 Ca 0.07 -1.00 0.02 0.00 -2.93 0.00 0.00 61.98 58.14 1ai9 s VAL 6 Cb -0.23 -1.88 -0.03 0.00 -1.53 0.00 0.00 36.38 32.71 1ai9 s VAL 6 CO 0.08 0.57 -0.07 0.00 -3.33 0.00 0.00 175.10 172.35 1ai9 s ALA 7 N -0.67 0.54 -0.06 1.54 0.00 -0.53 -1.28 121.76 121.31 1ai9 s ALA 7 Ca 0.11 -0.81 -0.12 0.00 0.00 0.00 0.00 51.96 51.14 1ai9 s ALA 7 Cb -0.10 0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.05 1ai9 s ALA 7 CO -0.00 -0.07 0.29 0.42 0.00 0.00 0.00 175.76 176.40 1ai9 s ILE 8 N -1.70 5.24 -0.08 0.00 1.01 -0.65 -0.90 121.20 124.12 1ai9 s ILE 8 Ca -0.08 0.57 0.03 0.00 0.00 0.00 0.00 60.65 61.16 1ai9 s ILE 8 Cb -0.08 -3.58 0.01 0.00 0.01 0.00 0.00 42.46 38.82 1ai9 s ILE 8 CO -0.01 0.59 -0.16 -0.51 0.00 0.00 0.00 174.94 174.85 1ai9 s ILE 9 N -0.97 1.46 0.12 2.92 2.07 -0.90 0.30 121.20 126.20 1ai9 s ILE 9 Ca 0.20 -0.66 -0.20 0.00 -1.41 0.00 0.00 60.65 58.58 1ai9 s ILE 9 Cb -0.15 -1.30 0.05 0.00 0.13 0.00 0.00 42.46 41.19 1ai9 s ILE 9 CO 0.09 0.43 0.50 0.54 -1.91 0.00 0.00 174.94 174.58 1ai9 s VAL 10 N 0.62 0.04 -0.12 4.00 0.11 -0.15 -4.59 120.40 120.31 1ai9 s VAL 10 Ca -0.15 -0.30 0.03 0.00 -2.93 0.00 0.00 61.98 58.63 1ai9 s VAL 10 Cb -0.16 -1.07 -0.00 0.00 -1.53 0.00 0.00 36.38 33.62 1ai9 s VAL 10 CO 0.04 -0.17 -0.21 0.00 -3.33 0.00 0.00 175.10 171.43 1ai9 s ALA 11 N -3.48 2.27 0.02 1.54 0.00 -1.26 -0.76 121.76 120.09 1ai9 s ALA 11 Ca 0.00 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 50.99 1ai9 s ALA 11 Cb 0.00 -0.93 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 1ai9 s ALA 11 CO -0.10 0.21 -0.05 0.00 0.00 0.00 0.00 175.76 175.82 1ai9 s ALA 12 N 0.45 0.32 -0.24 0.00 0.00 -0.50 -4.73 121.76 117.07 1ai9 s ALA 12 Ca -0.15 -0.53 -0.17 0.00 0.00 0.00 0.00 51.96 51.10 1ai9 s ALA 12 Cb -0.17 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 1ai9 s ALA 12 CO 0.06 -0.05 0.49 -1.17 0.00 0.00 0.00 175.76 175.09 1ai9 s LEU 13 N -1.14 4.08 0.45 0.00 2.96 -0.60 -0.98 118.68 123.45 1ai9 s LEU 13 Ca -0.09 0.53 -0.16 0.00 -0.22 0.00 0.00 54.13 54.18 1ai9 s LEU 13 Cb -0.08 -2.63 -0.08 0.00 0.50 0.00 0.00 46.19 43.90 1ai9 s LEU 13 CO -0.00 -0.23 0.91 -1.59 -1.32 0.00 0.00 176.35 174.11 1ai9 s LYS 14 N 2.04 3.99 0.12 1.98 -2.85 -0.25 0.08 119.74 124.85 1ai9 s LYS 14 Ca 0.21 0.87 0.24 0.00 -1.00 0.00 0.00 55.97 56.28 1ai9 s LYS 14 Cb -0.15 -2.23 0.21 0.00 -2.06 0.00 0.00 37.83 33.59 1ai9 s LYS 14 CO 0.09 -0.12 1.19 -0.35 0.10 0.00 0.00 175.35 176.27 1ai9 n PRO 15 N -1.16 0.35 0.23 1.78 -0.04 -1.26 -4.80 135.00 130.10 1ai9 n PRO 15 Ca 0.05 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.71 1ai9 n PRO 15 Cb 0.54 -1.69 0.39 0.00 -0.04 0.00 0.00 33.50 32.70 1ai9 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ai9 h ALA 16 N 2.42 0.97 -3.11 0.55 0.00 -2.00 -3.47 119.26 114.63 1ai9 h ALA 16 Ca 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1ai9 h ALA 16 Cb 0.79 -0.02 0.05 0.00 0.00 0.00 0.00 17.79 18.61 1ai9 h ALA 16 CO 0.00 0.13 -0.24 1.28 0.00 0.00 0.00 179.25 180.42 1ai9 n LEU 17 N -3.17 -2.62 -4.75 0.00 4.77 0.11 -4.70 117.00 106.63 1ai9 n LEU 17 Ca 0.02 -0.19 -0.40 0.00 -0.03 0.00 0.00 56.01 55.41 1ai9 n LEU 17 Cb 0.45 -1.31 -0.05 0.00 -2.33 0.00 0.00 43.42 40.18 1ai9 n LEU 17 CO 0.32 0.12 0.71 -0.83 -1.33 0.00 0.00 177.39 176.38 1ai9 s GLY 18 N -3.41 3.09 0.00 -0.72 0.00 -0.72 -1.98 107.32 103.58 1ai9 s GLY 18 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 44.72 45.45 1ai9 s GLY 18 CO 0.23 1.31 0.00 1.39 0.00 0.00 0.00 173.10 176.02 1ai9 n ILE 19 N 1.35 0.00 -3.63 0.90 -0.00 0.62 -1.56 119.36 117.04 1ai9 n ILE 19 Ca -0.02 -0.11 -0.03 0.00 -0.00 0.00 0.00 62.75 62.60 1ai9 n ILE 19 Cb 0.46 0.60 -0.01 0.00 -0.00 0.00 0.00 39.64 40.69 1ai9 n ILE 19 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 1ai9 s GLY 20 N -1.70 -0.35 -0.03 7.39 0.00 -1.16 -4.69 107.32 106.79 1ai9 s GLY 20 Ca 0.00 0.77 -0.01 0.00 0.00 0.00 0.00 44.72 45.48 1ai9 s GLY 20 CO 0.00 0.21 0.03 -0.47 0.00 0.00 0.00 173.10 172.87 1ai9 s TYR 21 N -2.81 0.10 0.00 1.90 5.04 -0.35 -1.92 117.35 119.31 1ai9 s TYR 21 Ca 0.11 0.14 0.00 0.00 -2.44 0.00 0.00 57.07 54.87 1ai9 s TYR 21 Cb 0.01 -0.35 0.00 0.00 0.35 0.00 0.00 41.96 41.97 1ai9 s TYR 21 CO -0.03 -0.13 0.00 1.63 -1.34 0.00 0.00 175.55 175.68 1ai9 n LYS 22 N 4.50 0.00 -1.29 4.97 4.01 -1.26 -2.49 118.16 126.60 1ai9 n LYS 22 Ca -0.21 0.00 0.04 0.00 -0.51 0.00 0.00 58.31 57.64 1ai9 n LYS 22 Cb 0.50 0.00 0.05 0.00 -0.51 0.00 0.00 35.03 35.07 1ai9 n LYS 22 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ai9 n GLY 23 N 0.00 1.68 3.24 0.72 0.00 -1.26 -5.00 105.19 104.57 1ai9 n GLY 23 Ca 0.00 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 45.01 1ai9 n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ai9 s LYS 24 N -0.55 1.31 0.04 1.61 -2.85 -1.04 -4.91 119.74 113.36 1ai9 s LYS 24 Ca 0.33 -1.66 -0.20 0.00 -1.00 0.00 0.00 55.97 53.43 1ai9 s LYS 24 Cb 0.36 0.29 -0.06 0.00 -2.06 0.00 0.00 37.83 36.37 1ai9 s LYS 24 CO -0.14 -0.45 0.60 -1.64 0.10 0.00 0.00 175.35 173.81 1ai9 s MET 25 N -4.03 4.28 0.00 1.78 -1.94 -1.26 -1.21 119.30 116.91 1ai9 s MET 25 Ca 0.38 0.76 0.10 0.00 -1.71 0.00 0.00 55.69 55.22 1ai9 s MET 25 Cb 0.06 -3.29 0.57 0.00 2.01 0.00 0.00 34.83 34.18 1ai9 s MET 25 CO 0.14 0.51 1.04 -0.35 -0.01 0.00 0.00 175.02 176.35 1ai9 n PRO 26 N 2.18 0.55 -4.06 2.03 -0.05 -1.26 -4.78 135.00 129.60 1ai9 n PRO 26 Ca -0.08 0.00 -0.09 0.00 -0.05 0.00 0.00 63.50 63.27 1ai9 n PRO 26 Cb 0.51 -1.27 -0.09 0.00 -0.05 0.00 0.00 33.50 32.60 1ai9 n PRO 26 CO 0.00 0.00 0.00 1.67 -0.05 0.00 0.00 175.50 177.12 1ai9 s TRP 27 N -2.00 0.64 -0.32 0.54 -2.14 -1.26 -5.01 118.94 109.40 1ai9 s TRP 27 Ca 0.14 -1.02 -0.01 0.00 2.66 0.00 0.00 56.10 57.87 1ai9 s TRP 27 Cb 0.07 -0.29 0.11 0.00 -3.10 0.00 0.00 33.47 30.25 1ai9 s TRP 27 CO 0.11 -0.60 0.13 0.50 -2.66 0.00 0.00 176.95 174.43 1ai9 s ARG 28 N -4.01 0.60 -0.35 3.25 3.52 -1.26 -5.10 118.95 115.61 1ai9 s ARG 28 Ca 0.20 -1.03 -0.06 0.00 -0.13 0.00 0.00 55.73 54.72 1ai9 s ARG 28 Cb 0.06 -1.72 0.05 0.00 -1.56 0.00 0.00 34.95 31.78 1ai9 s ARG 28 CO 0.00 -1.03 0.12 -0.51 -0.81 0.00 0.00 175.30 173.07 1ai9 s LEU 29 N 1.59 4.46 0.12 -0.88 1.43 -1.26 -5.01 118.68 119.13 1ai9 s LEU 29 Ca 0.11 -1.28 -0.30 0.00 -1.03 0.00 0.00 54.13 51.63 1ai9 s LEU 29 Cb -0.18 -1.86 -0.09 0.00 0.03 0.00 0.00 46.19 44.09 1ai9 s LEU 29 CO -0.24 -0.37 1.59 0.03 0.23 0.00 0.00 176.35 177.60 1ai9 h ARG 30 N 8.20 -0.58 -0.55 1.70 3.08 -1.99 -1.12 114.38 123.12 1ai9 h ARG 30 Ca -0.22 0.04 -0.07 0.00 0.07 0.00 0.00 59.98 59.80 1ai9 h ARG 30 Cb 1.08 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.24 1ai9 h ARG 30 CO 0.62 -0.38 0.07 0.87 -1.07 0.00 0.00 179.97 180.08 1ai9 h LYS 31 N -0.60 0.92 -1.01 0.04 1.57 -1.99 -2.65 116.57 112.86 1ai9 h LYS 31 Ca 0.03 -0.26 0.08 0.00 -1.87 0.00 0.00 60.65 58.64 1ai9 h LYS 31 Cb 0.65 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.78 1ai9 h LYS 31 CO -0.26 0.90 0.65 1.49 -0.57 0.00 0.00 179.45 181.66 1ai9 h GLU 32 N 0.81 1.10 -0.44 3.15 4.22 -1.96 0.21 114.58 121.67 1ai9 h GLU 32 Ca 0.17 -0.07 -0.02 0.00 0.08 0.00 0.00 59.36 59.52 1ai9 h GLU 32 Cb 0.44 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1ai9 h GLU 32 CO 0.01 0.73 0.19 0.82 -2.18 0.00 0.00 179.01 178.58 1ai9 h ILE 33 N 1.14 1.20 -0.84 2.32 2.04 -0.84 -1.37 117.51 121.14 1ai9 h ILE 33 Ca 0.45 -0.59 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 1ai9 h ILE 33 Cb 0.25 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 1ai9 h ILE 33 CO -0.20 0.22 0.40 -0.09 0.00 0.00 0.00 178.15 178.48 1ai9 h ARG 34 N 0.57 1.22 -0.33 2.37 9.65 -1.19 -1.89 114.38 124.77 1ai9 h ARG 34 Ca 0.15 -0.18 -0.02 0.00 -1.10 0.00 0.00 59.98 58.82 1ai9 h ARG 34 Cb 0.17 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 28.52 1ai9 h ARG 34 CO -0.01 0.94 0.11 -0.92 2.80 0.00 0.00 179.97 182.89 1ai9 h TYR 35 N 1.20 0.52 -0.28 2.20 3.20 -0.79 -1.43 116.97 121.59 1ai9 h TYR 35 Ca 0.29 -0.05 0.06 0.00 3.14 0.00 0.00 58.73 62.17 1ai9 h TYR 35 Cb 0.13 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.19 1ai9 h TYR 35 CO 0.02 0.51 -0.06 0.35 -1.64 0.00 0.00 178.16 177.34 1ai9 h PHE 36 N 0.38 -0.12 0.69 -3.82 3.57 -1.03 0.67 116.94 117.28 1ai9 h PHE 36 Ca 0.11 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1ai9 h PHE 36 Cb 0.23 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 1ai9 h PHE 36 CO 0.00 -0.11 -0.40 -0.22 -2.23 0.00 0.00 178.31 175.35 1ai9 h LYS 37 N 0.02 -0.98 -0.11 1.11 3.64 -1.09 -0.64 116.57 118.52 1ai9 h LYS 37 Ca 0.14 0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.63 1ai9 h LYS 37 Cb 0.20 0.22 -0.05 0.00 -0.41 0.00 0.00 32.23 32.19 1ai9 h LYS 37 CO -0.28 -0.65 -0.23 -0.44 -2.27 0.00 0.00 179.45 175.58 1ai9 h ASP 38 N -1.02 -0.70 -0.21 4.20 3.32 -1.03 -0.31 116.42 120.67 1ai9 h ASP 38 Ca -0.09 0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.08 1ai9 h ASP 38 Cb 0.81 0.31 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 1ai9 h ASP 38 CO 0.10 -0.28 0.12 0.58 -1.72 0.00 0.00 179.24 178.04 1ai9 h VAL 39 N -0.30 1.02 0.00 -1.35 2.07 -0.85 0.42 116.25 117.25 1ai9 h VAL 39 Ca 0.09 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1ai9 h VAL 39 Cb 0.44 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1ai9 h VAL 39 CO -0.28 0.05 0.00 0.71 0.02 0.00 0.00 177.57 178.06 1ai9 h THR 40 N 0.25 0.00 0.00 2.57 1.35 -1.00 -3.28 112.91 112.80 1ai9 h THR 40 Ca 0.08 -0.54 -0.35 0.00 -0.55 0.00 0.00 66.41 65.05 1ai9 h THR 40 Cb 0.00 1.48 -0.07 0.00 -1.73 0.00 0.00 68.15 67.84 1ai9 h THR 40 CO -0.04 0.00 -2.25 0.41 -0.25 0.00 0.00 175.52 173.39 1ai9 n THR 41 N -2.81 1.44 -1.81 6.82 -1.04 -0.14 -4.64 114.28 112.09 1ai9 n THR 41 Ca 0.02 -0.84 -0.41 0.00 -2.04 0.00 0.00 64.05 60.78 1ai9 n THR 41 Cb 0.35 -0.61 -0.00 0.00 -1.82 0.00 0.00 70.33 68.24 1ai9 n THR 41 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1ai9 s ARG 42 N -2.51 4.12 0.18 -2.82 3.52 0.14 -4.68 118.95 116.90 1ai9 s ARG 42 Ca -0.10 2.56 0.04 0.00 -0.13 0.00 0.00 55.73 58.10 1ai9 s ARG 42 Cb 0.06 -2.98 -0.05 0.00 -1.56 0.00 0.00 34.95 30.43 1ai9 s ARG 42 CO 0.82 -0.53 -0.05 0.95 -0.81 0.00 0.00 175.30 175.68 1ai9 s THR 43 N -0.98 1.07 -0.29 4.11 -4.23 -1.26 -4.88 115.64 109.18 1ai9 s THR 43 Ca 0.54 -2.04 0.27 0.00 -1.18 0.00 0.00 61.69 59.28 1ai9 s THR 43 Cb -0.46 -2.07 0.34 0.00 1.34 0.00 0.00 72.50 71.65 1ai9 s THR 43 CO 0.61 -0.55 1.76 0.71 -0.54 0.00 0.00 174.62 176.61 1ai9 h THR 44 N 2.65 0.00 -3.58 3.99 1.35 -1.96 -3.46 112.91 111.90 1ai9 h THR 44 Ca -0.37 -0.71 -0.12 0.00 -0.55 0.00 0.00 66.41 64.66 1ai9 h THR 44 Cb 1.20 1.69 -0.18 0.00 -1.73 0.00 0.00 68.15 69.14 1ai9 h THR 44 CO 0.64 0.00 -0.43 -1.59 -0.25 0.00 0.00 175.52 173.89 1ai9 s LYS 45 N -3.36 0.64 0.74 4.72 -2.85 -1.26 -5.16 119.74 113.21 1ai9 s LYS 45 Ca 0.05 -0.60 -0.11 0.00 -1.00 0.00 0.00 55.97 54.31 1ai9 s LYS 45 Cb 0.08 0.26 0.04 0.00 -2.06 0.00 0.00 37.83 36.14 1ai9 s LYS 45 CO 0.60 -0.18 1.08 -1.25 0.10 0.00 0.00 175.35 175.70 1ai9 s PRO 46 N -2.35 2.55 -1.20 1.78 0.04 -1.26 -3.61 135.00 130.94 1ai9 s PRO 46 Ca -0.07 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.03 1ai9 s PRO 46 Cb -0.02 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1ai9 s PRO 46 CO -0.03 -1.40 0.00 0.09 0.04 0.00 0.00 177.00 175.70 1ai9 n ASN 47 N -3.35 -4.25 -4.40 6.66 3.02 -1.26 -5.00 115.26 106.68 1ai9 n ASN 47 Ca 0.08 0.18 -0.20 0.00 -0.03 0.00 0.00 54.58 54.62 1ai9 n ASN 47 Cb 0.53 -3.07 -0.10 0.00 -0.61 0.00 0.00 39.78 36.53 1ai9 n ASN 47 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1ai9 s THR 48 N -2.52 1.37 0.25 3.41 -4.23 -1.24 -5.18 115.64 107.51 1ai9 s THR 48 Ca 0.00 -2.07 -0.13 0.00 -1.18 0.00 0.00 61.69 58.31 1ai9 s THR 48 Cb 0.00 -2.48 -0.00 0.00 1.34 0.00 0.00 72.50 71.36 1ai9 s THR 48 CO 0.00 -0.26 0.48 0.00 -0.54 0.00 0.00 174.62 174.30 1ai9 s ARG 49 N -3.80 1.55 0.41 3.99 1.70 -1.26 -4.88 118.95 116.66 1ai9 s ARG 49 Ca 0.30 -1.24 0.08 0.00 -0.47 0.00 0.00 55.73 54.40 1ai9 s ARG 49 Cb 0.05 0.47 -0.03 0.00 -0.57 0.00 0.00 34.95 34.87 1ai9 s ARG 49 CO 0.11 -0.65 0.30 -0.80 -1.08 0.00 0.00 175.30 173.19 1ai9 s ASN 50 N -3.01 4.84 0.19 -2.89 0.01 -1.26 -1.42 114.94 111.39 1ai9 s ASN 50 Ca 0.22 -0.84 0.10 0.00 -0.71 0.00 0.00 52.86 51.62 1ai9 s ASN 50 Cb -0.01 -0.57 -0.04 0.00 0.41 0.00 0.00 41.25 41.04 1ai9 s ASN 50 CO 0.09 -0.58 -0.15 0.00 -1.51 0.00 0.00 177.10 174.95 1ai9 s ALA 51 N -2.50 2.80 -0.04 0.60 0.00 -0.55 -0.85 121.76 121.22 1ai9 s ALA 51 Ca 0.45 -1.54 0.06 0.00 0.00 0.00 0.00 51.96 50.93 1ai9 s ALA 51 Cb -0.01 -0.59 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 1ai9 s ALA 51 CO 0.26 0.45 -0.22 0.14 0.00 0.00 0.00 175.76 176.38 1ai9 s VAL 52 N -1.71 1.80 -0.13 0.00 -7.23 0.18 -0.71 120.40 112.60 1ai9 s VAL 52 Ca 0.24 -0.95 0.02 0.00 -1.81 0.00 0.00 61.98 59.48 1ai9 s VAL 52 Cb -0.08 -1.52 0.00 0.00 0.56 0.00 0.00 36.38 35.34 1ai9 s VAL 52 CO 0.13 0.51 -0.20 -0.63 -0.31 0.00 0.00 175.10 174.60 1ai9 s ILE 53 N -0.30 2.32 0.14 -0.62 1.01 -0.35 -0.55 121.20 122.84 1ai9 s ILE 53 Ca 0.02 -0.91 -0.02 0.00 0.00 0.00 0.00 60.65 59.74 1ai9 s ILE 53 Cb -0.11 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 1ai9 s ILE 53 CO 0.01 0.54 0.10 0.00 0.00 0.00 0.00 174.94 175.60 1ai9 s MET 54 N 0.61 0.98 0.42 2.79 0.23 -0.33 -0.69 119.30 123.32 1ai9 s MET 54 Ca -0.11 -1.40 -0.14 0.00 -1.03 0.00 0.00 55.69 53.01 1ai9 s MET 54 Cb -0.16 0.27 -0.08 0.00 -1.53 0.00 0.00 34.83 33.33 1ai9 s MET 54 CO 0.03 -0.30 0.84 0.20 -2.03 0.00 0.00 175.02 173.76 1ai9 s GLY 55 N -3.04 2.08 0.28 3.16 0.00 -0.43 -0.49 107.32 108.88 1ai9 s GLY 55 Ca 0.24 -0.01 0.02 0.00 0.00 0.00 0.00 44.72 44.97 1ai9 s GLY 55 CO 0.02 0.22 1.80 -0.09 0.00 0.00 0.00 173.10 175.05 1ai9 h ARG 56 N 1.37 0.83 -0.48 2.90 2.43 -1.70 -0.57 114.38 119.16 1ai9 h ARG 56 Ca -0.47 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 58.60 1ai9 h ARG 56 Cb 1.18 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 1ai9 h ARG 56 CO 0.63 0.55 0.11 0.87 -1.51 0.00 0.00 179.97 180.62 1ai9 h LYS 57 N 0.86 0.73 -0.27 0.20 1.57 -1.94 -0.77 116.57 116.96 1ai9 h LYS 57 Ca 0.52 -0.14 -0.16 0.00 -1.87 0.00 0.00 60.65 59.00 1ai9 h LYS 57 Cb 0.65 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 1ai9 h LYS 57 CO -0.32 0.67 -0.45 1.15 -0.57 0.00 0.00 179.45 179.93 1ai9 h THR 58 N 0.71 1.29 -0.48 -0.16 2.02 -1.46 -2.10 112.91 112.74 1ai9 h THR 58 Ca 0.16 -1.65 0.05 0.00 0.77 0.00 0.00 66.41 65.74 1ai9 h THR 58 Cb 0.27 1.69 -0.04 0.00 -1.74 0.00 0.00 68.15 68.32 1ai9 h THR 58 CO -0.00 0.53 0.22 -0.25 0.37 0.00 0.00 175.52 176.39 1ai9 h TRP 59 N 0.53 0.40 0.00 3.16 2.91 -0.96 -2.68 115.95 119.31 1ai9 h TRP 59 Ca 0.02 0.02 -0.05 0.00 1.13 0.00 0.00 58.89 60.01 1ai9 h TRP 59 Cb 1.06 -0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 29.59 1ai9 h TRP 59 CO 0.08 0.19 -0.22 0.93 -1.03 0.00 0.00 178.44 178.39 1ai9 h GLU 60 N 0.44 0.00 0.00 2.65 5.08 -1.00 -2.55 114.58 119.20 1ai9 h GLU 60 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1ai9 h GLU 60 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1ai9 h GLU 60 CO -0.17 0.22 0.00 -1.13 -1.00 0.00 0.00 179.01 176.93 1ai9 n SER 61 N -3.98 0.00 -4.66 1.42 3.41 -0.80 -4.62 113.62 104.38 1ai9 n SER 61 Ca -0.02 0.24 -0.39 0.00 -0.26 0.00 0.00 58.87 58.44 1ai9 n SER 61 Cb 0.30 -0.39 -0.07 0.00 -0.26 0.00 0.00 64.21 63.78 1ai9 n SER 61 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1ai9 s ILE 62 N -2.79 5.11 0.19 -1.33 1.01 -0.96 -5.02 121.20 117.41 1ai9 s ILE 62 Ca 0.16 0.91 -0.33 0.00 0.00 0.00 0.00 60.65 61.39 1ai9 s ILE 62 Cb 0.14 -3.83 -0.13 0.00 0.01 0.00 0.00 42.46 38.66 1ai9 s ILE 62 CO 0.36 0.17 1.62 -2.65 0.00 0.00 0.00 174.94 174.45 1ai9 n PRO 63 N 4.85 2.38 -0.26 2.79 -0.02 -1.26 -4.84 135.00 138.64 1ai9 n PRO 63 Ca -0.05 0.86 0.20 0.00 -2.02 0.00 0.00 63.50 62.49 1ai9 n PRO 63 Cb 0.50 -2.65 0.37 0.00 -0.02 0.00 0.00 33.50 31.71 1ai9 n PRO 63 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1ai9 n GLN 64 N 3.50 -0.05 0.18 -0.52 7.27 -1.26 -0.06 117.38 126.44 1ai9 n GLN 64 Ca 0.16 1.12 0.13 0.00 0.07 0.00 0.00 57.00 58.48 1ai9 n GLN 64 Cb 0.31 -1.92 0.41 0.00 2.41 0.00 0.00 30.24 31.46 1ai9 n GLN 64 CO 0.00 0.00 0.00 1.57 0.07 0.00 0.00 177.06 178.70 1ai9 h LYS 65 N 0.00 0.00 -0.59 3.69 -0.00 -2.01 -3.18 116.57 114.47 1ai9 h LYS 65 Ca 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 61.24 1ai9 h LYS 65 Cb 1.46 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.69 1ai9 h LYS 65 CO -0.66 0.00 0.00 1.19 -0.00 0.00 0.00 179.45 179.98 1ai9 n PHE 66 N -2.69 0.79 -4.51 0.07 3.72 0.91 -4.92 117.46 110.83 1ai9 n PHE 66 Ca 0.03 -0.44 -0.29 0.00 -0.05 0.00 0.00 57.45 56.70 1ai9 n PHE 66 Cb 0.39 -0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.80 1ai9 n PHE 66 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1ai9 s ARG 67 N -1.10 1.61 0.76 -1.08 1.70 -1.19 -3.98 118.95 115.67 1ai9 s ARG 67 Ca 0.43 -1.24 -0.11 0.00 -0.47 0.00 0.00 55.73 54.33 1ai9 s ARG 67 Cb 0.23 -1.98 0.05 0.00 -0.57 0.00 0.00 34.95 32.68 1ai9 s ARG 67 CO 0.30 0.48 1.08 -1.25 -1.08 0.00 0.00 175.30 174.83 1ai9 s PRO 68 N -1.85 2.36 0.04 3.89 0.04 -1.26 -4.97 135.00 133.25 1ai9 s PRO 68 Ca 0.14 0.88 -0.32 0.00 0.04 0.00 0.00 61.00 61.74 1ai9 s PRO 68 Cb -0.10 -1.93 -0.11 0.00 0.04 0.00 0.00 34.50 32.40 1ai9 s PRO 68 CO 0.06 -1.49 1.84 1.28 0.04 0.00 0.00 177.00 178.73 1ai9 n LEU 69 N -3.38 3.71 -4.75 -3.56 4.77 -1.26 -4.91 117.00 107.63 1ai9 n LEU 69 Ca 0.08 0.98 -0.32 0.00 -0.03 0.00 0.00 56.01 56.72 1ai9 n LEU 69 Cb 0.54 -1.46 0.09 0.00 -2.33 0.00 0.00 43.42 40.26 1ai9 n LEU 69 CO 0.56 0.03 0.72 -2.84 -1.33 0.00 0.00 177.39 174.52 1ai9 s PRO 70 N 3.21 2.20 -0.32 3.23 0.02 -1.26 -3.78 135.00 138.29 1ai9 s PRO 70 Ca 0.86 1.37 0.00 0.00 0.02 0.00 0.00 61.00 63.25 1ai9 s PRO 70 Cb -0.58 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.07 1ai9 s PRO 70 CO 0.43 -1.72 0.00 -0.25 -0.33 0.00 0.00 177.00 175.14 1ai9 n ASP 71 N -3.22 -5.44 -3.95 2.53 8.00 -1.26 -4.97 116.55 108.25 1ai9 n ASP 71 Ca 0.10 0.08 -0.10 0.00 0.71 0.00 0.00 54.79 55.58 1ai9 n ASP 71 Cb 0.52 -3.20 -0.11 0.00 -0.02 0.00 0.00 41.12 38.31 1ai9 n ASP 71 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1ai9 s ARG 72 N -1.98 0.34 -0.01 -1.24 0.52 -1.25 -4.49 118.95 110.84 1ai9 s ARG 72 Ca 0.00 -0.53 -0.30 0.00 -0.52 0.00 0.00 55.73 54.38 1ai9 s ARG 72 Cb 0.00 0.13 -0.05 0.00 0.52 0.00 0.00 34.95 35.55 1ai9 s ARG 72 CO 0.00 -0.06 1.27 -1.17 0.02 0.00 0.00 175.30 175.35 1ai9 s LEU 73 N -1.38 4.31 -0.16 2.53 2.96 -0.03 -4.83 118.68 122.07 1ai9 s LEU 73 Ca -0.15 1.96 -0.08 0.00 -0.22 0.00 0.00 54.13 55.64 1ai9 s LEU 73 Cb -0.09 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 1ai9 s LEU 73 CO -0.00 -0.61 0.11 0.20 -1.32 0.00 0.00 176.35 174.73 1ai9 s ASN 74 N 1.52 6.05 -0.14 3.68 0.02 0.81 -0.64 114.94 126.23 1ai9 s ASN 74 Ca 0.59 0.26 0.02 0.00 -1.02 0.00 0.00 52.86 52.71 1ai9 s ASN 74 Cb -0.28 -2.01 0.02 0.00 0.02 0.00 0.00 41.25 39.00 1ai9 s ASN 74 CO 0.25 0.27 -0.18 -0.63 0.02 0.00 0.00 177.10 176.83 1ai9 s ILE 75 N -0.16 1.78 -0.13 0.60 1.01 0.28 -1.01 121.20 123.57 1ai9 s ILE 75 Ca 0.09 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 59.96 1ai9 s ILE 75 Cb -0.12 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.74 1ai9 s ILE 75 CO 0.01 0.49 -0.17 -0.63 0.00 0.00 0.00 174.94 174.64 1ai9 s ILE 76 N 1.10 2.62 -0.17 2.92 1.09 -0.53 -1.18 121.20 127.04 1ai9 s ILE 76 Ca -0.02 -0.80 -0.08 0.00 -1.10 0.00 0.00 60.65 58.65 1ai9 s ILE 76 Cb -0.14 -2.08 -0.04 0.00 -1.06 0.00 0.00 42.46 39.13 1ai9 s ILE 76 CO -0.06 0.53 0.09 -0.76 -0.10 0.00 0.00 174.94 174.65 1ai9 s LEU 77 N 0.53 4.03 -0.13 2.97 1.43 0.36 -1.89 118.68 125.98 1ai9 s LEU 77 Ca -0.11 0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 53.08 1ai9 s LEU 77 Cb -0.16 -2.02 0.04 0.00 0.03 0.00 0.00 46.19 44.08 1ai9 s LEU 77 CO 0.04 0.23 0.35 -0.55 0.23 0.00 0.00 176.35 176.65 1ai9 s SER 78 N 0.06 -0.38 0.00 2.29 0.15 -1.15 -1.75 113.70 112.93 1ai9 s SER 78 Ca 0.07 0.71 0.19 0.00 0.70 0.00 0.00 55.95 57.63 1ai9 s SER 78 Cb -0.12 0.70 1.10 0.00 -1.71 0.00 0.00 66.02 65.99 1ai9 s SER 78 CO 0.00 -0.13 1.55 0.54 1.20 0.00 0.00 173.24 176.40 1ai9 n ARG 79 N 3.14 0.51 -0.00 5.44 1.74 -1.26 -2.44 116.66 123.79 1ai9 n ARG 79 Ca -0.15 0.03 0.09 0.00 -0.77 0.00 0.00 57.85 57.05 1ai9 n ARG 79 Cb 0.57 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.40 1ai9 n ARG 79 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1ai9 n SER 80 N -1.08 0.85 -4.86 0.55 7.64 -1.26 -4.97 113.62 110.50 1ai9 n SER 80 Ca 0.13 -0.87 -0.31 0.00 1.01 0.00 0.00 58.87 58.83 1ai9 n SER 80 Cb 0.09 1.06 -0.01 0.00 -1.01 0.00 0.00 64.21 64.33 1ai9 n SER 80 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1ai9 s TYR 81 N -2.78 3.53 -0.03 1.43 2.02 -1.02 -5.08 117.35 115.42 1ai9 s TYR 81 Ca 0.06 1.31 -0.02 0.00 -0.37 0.00 0.00 57.07 58.05 1ai9 s TYR 81 Cb 0.14 -2.69 -0.04 0.00 -0.40 0.00 0.00 41.96 38.97 1ai9 s TYR 81 CO 0.76 -0.46 0.09 -1.21 -1.57 0.00 0.00 175.55 173.16 1ai9 s GLU 82 N -4.51 3.15 0.11 -0.62 2.02 -1.26 -4.54 118.70 113.04 1ai9 s GLU 82 Ca 0.56 -0.41 -0.32 0.00 0.02 0.00 0.00 54.97 54.81 1ai9 s GLU 82 Cb -0.10 -2.92 -0.12 0.00 0.10 0.00 0.00 34.13 31.09 1ai9 s GLU 82 CO 0.41 0.67 1.79 0.09 0.02 0.00 0.00 175.26 178.24 1ai9 n ASN 83 N 1.37 3.80 -3.64 -0.19 5.03 -1.26 -4.48 115.26 115.89 1ai9 n ASN 83 Ca -0.14 1.01 -0.09 0.00 0.87 0.00 0.00 54.58 56.23 1ai9 n ASN 83 Cb 0.53 -1.50 -0.07 0.00 -1.02 0.00 0.00 39.78 37.72 1ai9 n ASN 83 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1ai9 s GLU 84 N 2.45 0.71 -0.43 3.52 2.12 -0.32 -5.00 118.70 121.75 1ai9 s GLU 84 Ca 0.82 1.11 -0.21 0.00 0.36 0.00 0.00 54.97 57.05 1ai9 s GLU 84 Cb -0.55 0.21 0.02 0.00 0.26 0.00 0.00 34.13 34.07 1ai9 s GLU 84 CO 0.39 -0.13 0.69 0.42 -0.54 0.00 0.00 175.26 176.08 1ai9 s ILE 85 N 1.26 4.78 -0.05 -3.70 1.01 -1.26 0.14 121.20 123.37 1ai9 s ILE 85 Ca -0.07 0.27 -0.21 0.00 0.00 0.00 0.00 60.65 60.65 1ai9 s ILE 85 Cb -0.05 -4.22 -0.15 0.00 0.01 0.00 0.00 42.46 38.04 1ai9 s ILE 85 CO -0.14 -0.59 0.84 0.40 0.00 0.00 0.00 174.94 175.45 1ai9 h ILE 86 N 5.88 0.83 -2.63 2.92 2.04 -1.59 -3.49 117.51 121.47 1ai9 h ILE 86 Ca -0.25 -1.15 -0.08 0.00 1.00 0.00 0.00 64.86 64.38 1ai9 h ILE 86 Cb 1.09 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 1ai9 h ILE 86 CO 0.91 0.22 -0.03 -0.90 0.00 0.00 0.00 178.15 178.35 1ai9 n ASP 87 N -4.91 -0.52 0.30 1.72 5.68 -1.06 -5.00 116.55 112.76 1ai9 n ASP 87 Ca -0.08 -1.63 0.17 0.00 -0.50 0.00 0.00 54.79 52.75 1ai9 n ASP 87 Cb 0.26 0.94 0.93 0.00 -1.14 0.00 0.00 41.12 42.11 1ai9 n ASP 87 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 1ai9 h ASP 88 N 0.67 0.00 0.00 -1.12 3.58 -2.02 -3.19 116.42 114.34 1ai9 h ASP 88 Ca -0.10 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.35 1ai9 h ASP 88 Cb 0.41 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.46 1ai9 h ASP 88 CO 0.13 0.04 -0.99 0.59 -2.88 0.00 0.00 179.24 176.12 1ai9 n ASN 89 N -3.49 0.87 -3.94 2.28 5.03 -1.26 -4.86 115.26 109.88 1ai9 n ASN 89 Ca -0.02 -0.67 -0.21 0.00 0.87 0.00 0.00 54.58 54.55 1ai9 n ASN 89 Cb 0.14 1.18 -0.16 0.00 -1.02 0.00 0.00 39.78 39.92 1ai9 n ASN 89 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1ai9 s ILE 90 N -2.66 0.73 0.01 2.41 1.01 -1.21 -0.14 121.20 121.37 1ai9 s ILE 90 Ca 0.03 -0.25 0.04 0.00 0.00 0.00 0.00 60.65 60.47 1ai9 s ILE 90 Cb 0.12 -0.71 -0.01 0.00 0.01 0.00 0.00 42.46 41.86 1ai9 s ILE 90 CO 0.66 0.26 -0.12 -0.63 0.00 0.00 0.00 174.94 175.11 1ai9 s ILE 91 N 0.78 0.96 -0.12 2.92 1.01 -0.18 -1.35 121.20 125.22 1ai9 s ILE 91 Ca -0.12 -0.73 -0.04 0.00 0.00 0.00 0.00 60.65 59.76 1ai9 s ILE 91 Cb -0.15 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 1ai9 s ILE 91 CO 0.01 0.11 0.03 -1.00 0.00 0.00 0.00 174.94 174.10 1ai9 s HIS 92 N -0.57 3.24 0.01 3.97 3.76 0.12 -1.46 115.29 124.37 1ai9 s HIS 92 Ca 0.02 0.19 0.03 0.00 -0.15 0.00 0.00 55.06 55.15 1ai9 s HIS 92 Cb -0.06 -1.89 -0.01 0.00 1.11 0.00 0.00 32.58 31.73 1ai9 s HIS 92 CO 0.00 0.41 -0.09 0.00 -0.85 0.00 0.00 174.74 174.21 1ai9 s ALA 93 N -0.55 0.76 -2.40 -1.40 0.00 -0.79 -1.17 121.76 116.21 1ai9 s ALA 93 Ca 0.10 -0.53 0.21 0.00 0.00 0.00 0.00 51.96 51.74 1ai9 s ALA 93 Cb -0.12 -0.13 0.31 0.00 0.00 0.00 0.00 23.12 23.18 1ai9 s ALA 93 CO 0.02 0.14 1.29 -1.13 0.00 0.00 0.00 175.76 176.09 1ai9 n SER 94 N 2.40 3.14 -3.49 0.00 3.41 -1.26 -2.91 113.62 114.91 1ai9 n SER 94 Ca -0.16 -1.94 -0.10 0.00 -0.26 0.00 0.00 58.87 56.42 1ai9 n SER 94 Cb 0.56 -0.15 -0.02 0.00 -0.26 0.00 0.00 64.21 64.34 1ai9 n SER 94 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ai9 s SER 95 N -1.53 -0.42 0.21 4.04 1.04 -1.26 -4.48 113.70 111.30 1ai9 s SER 95 Ca 0.32 0.05 -0.10 0.00 0.48 0.00 0.00 55.95 56.71 1ai9 s SER 95 Cb 0.20 0.43 0.17 0.00 0.10 0.00 0.00 66.02 66.92 1ai9 s SER 95 CO 0.28 -0.67 1.89 0.40 0.98 0.00 0.00 173.24 176.12 1ai9 h ILE 96 N 2.08 1.20 -0.64 -1.02 2.04 -2.00 -2.44 117.51 116.74 1ai9 h ILE 96 Ca -0.24 -0.38 0.06 0.00 1.00 0.00 0.00 64.86 65.30 1ai9 h ILE 96 Cb 1.25 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 1ai9 h ILE 96 CO 0.33 0.20 0.42 -0.33 0.00 0.00 0.00 178.15 178.77 1ai9 h GLU 97 N 1.07 0.64 -0.14 2.37 3.07 -1.99 -2.22 114.58 117.38 1ai9 h GLU 97 Ca 0.29 -0.04 -0.19 0.00 -0.50 0.00 0.00 59.36 58.92 1ai9 h GLU 97 Cb -0.12 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 27.65 1ai9 h GLU 97 CO -0.06 0.42 -0.69 0.77 -1.40 0.00 0.00 179.01 178.06 1ai9 h SER 98 N 0.66 0.66 -0.71 1.42 0.02 -1.91 -3.05 113.55 110.65 1ai9 h SER 98 Ca 0.27 -0.41 0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1ai9 h SER 98 Cb 0.24 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.52 1ai9 h SER 98 CO -0.08 1.16 0.39 0.77 -1.14 0.00 0.00 176.83 177.93 1ai9 h SER 99 N 0.41 0.57 0.51 3.07 4.64 -0.93 -0.98 113.55 120.85 1ai9 h SER 99 Ca -0.02 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1ai9 h SER 99 Cb 1.27 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1ai9 h SER 99 CO 0.13 0.36 0.00 0.18 -0.87 0.00 0.00 176.83 176.63 1ai9 n LEU 100 N -4.78 0.00 -0.82 5.97 4.77 -1.03 -2.40 117.00 118.72 1ai9 n LEU 100 Ca 0.10 0.29 0.09 0.00 -0.03 0.00 0.00 56.01 56.46 1ai9 n LEU 100 Cb 0.20 -0.29 0.12 0.00 -2.33 0.00 0.00 43.42 41.12 1ai9 n LEU 100 CO 0.28 -0.04 0.59 0.59 -1.33 0.00 0.00 177.39 177.48 1ai9 n ASN 101 N -1.29 2.79 -0.72 -1.43 5.03 -0.40 -4.54 115.26 114.69 1ai9 n ASN 101 Ca 0.12 -1.82 0.03 0.00 0.87 0.00 0.00 54.58 53.78 1ai9 n ASN 101 Cb 0.21 -0.10 0.20 0.00 -1.02 0.00 0.00 39.78 39.07 1ai9 n ASN 101 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1ai9 n LEU 102 N 1.06 3.16 -0.80 3.41 4.77 -1.00 -4.68 117.00 122.92 1ai9 n LEU 102 Ca 0.13 -3.72 0.05 0.00 -0.03 0.00 0.00 56.01 52.44 1ai9 n LEU 102 Cb 0.48 -0.55 0.17 0.00 -2.33 0.00 0.00 43.42 41.19 1ai9 n LEU 102 CO 0.12 1.24 0.30 1.33 -1.33 0.00 0.00 177.39 179.04 1ai9 n VAL 103 N -1.13 1.81 0.24 4.08 0.24 -1.26 -4.83 118.33 117.48 1ai9 n VAL 103 Ca 0.23 -2.86 0.11 0.00 -2.04 0.00 0.00 64.34 59.79 1ai9 n VAL 103 Cb 0.80 -0.02 0.59 0.00 -1.47 0.00 0.00 33.84 33.74 1ai9 n VAL 103 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1ai9 h SER 104 N 1.03 0.00 -0.63 -1.34 0.02 -1.92 -2.94 113.55 107.77 1ai9 h SER 104 Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1ai9 h SER 104 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1ai9 h SER 104 CO 0.03 0.18 0.00 0.47 -1.14 0.00 0.00 176.83 176.37 1ai9 n ASP 105 N -3.50 3.84 -4.66 3.07 8.00 -1.26 -5.00 116.55 117.04 1ai9 n ASP 105 Ca -0.01 -2.00 -0.27 0.00 0.71 0.00 0.00 54.79 53.22 1ai9 n ASP 105 Cb 0.34 -0.42 -0.10 0.00 -0.02 0.00 0.00 41.12 40.92 1ai9 n ASP 105 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1ai9 s VAL 106 N -1.16 2.09 -0.10 2.53 -7.23 -1.11 -4.69 120.40 110.72 1ai9 s VAL 106 Ca 0.46 -1.91 -0.04 0.00 -1.81 0.00 0.00 61.98 58.68 1ai9 s VAL 106 Cb 0.25 -3.00 -0.01 0.00 0.56 0.00 0.00 36.38 34.18 1ai9 s VAL 106 CO 0.33 0.00 -0.08 -0.08 -0.31 0.00 0.00 175.10 174.96 1ai9 h GLU 107 N 1.67 0.00 -6.00 4.82 4.81 -1.56 -3.49 114.58 114.82 1ai9 h GLU 107 Ca -0.44 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.26 1ai9 h GLU 107 Cb 1.24 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.44 1ai9 h GLU 107 CO 0.78 0.00 -0.79 1.03 -0.73 0.00 0.00 179.01 179.30 1ai9 s ARG 108 N -1.77 1.26 -0.15 1.92 0.52 -1.26 -4.56 118.95 114.92 1ai9 s ARG 108 Ca -0.07 -1.37 0.00 0.00 -0.52 0.00 0.00 55.73 53.77 1ai9 s ARG 108 Cb 0.01 -1.36 -0.00 0.00 0.52 0.00 0.00 34.95 34.11 1ai9 s ARG 108 CO 0.10 0.28 -0.15 0.08 0.02 0.00 0.00 175.30 175.63 1ai9 s VAL 109 N -1.88 2.70 -0.17 3.52 1.01 0.36 -1.48 120.40 124.46 1ai9 s VAL 109 Ca 0.14 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.36 1ai9 s VAL 109 Cb -0.07 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.18 1ai9 s VAL 109 CO 0.06 0.52 -0.14 -0.36 0.00 0.00 0.00 175.10 175.18 1ai9 s PHE 110 N 0.69 2.81 -0.41 5.22 0.08 0.11 -1.45 117.98 125.03 1ai9 s PHE 110 Ca -0.07 -1.15 -0.28 0.00 0.12 0.00 0.00 56.93 55.55 1ai9 s PHE 110 Cb -0.16 -1.93 0.02 0.00 -0.57 0.00 0.00 43.02 40.38 1ai9 s PHE 110 CO 0.02 -0.56 1.05 0.42 -0.10 0.00 0.00 175.22 176.05 1ai9 s ILE 111 N 1.03 4.39 -0.44 0.64 1.01 -0.08 -1.21 121.20 126.55 1ai9 s ILE 111 Ca -0.01 1.29 0.15 0.00 0.00 0.00 0.00 60.65 62.08 1ai9 s ILE 111 Cb -0.15 -4.48 0.56 0.00 0.01 0.00 0.00 42.46 38.40 1ai9 s ILE 111 CO -0.03 -0.76 1.47 2.30 0.00 0.00 0.00 174.94 177.92 1ai9 n ILE 112 N 6.36 2.07 0.00 2.92 -5.35 0.14 -2.11 119.36 123.39 1ai9 n ILE 112 Ca 0.10 -1.57 0.00 0.00 -0.27 0.00 0.00 62.75 61.01 1ai9 n ILE 112 Cb 0.48 -0.07 0.00 0.00 -1.74 0.00 0.00 39.64 38.31 1ai9 n ILE 112 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ai9 n GLY 113 N 0.04 -2.07 0.00 3.28 0.00 -1.25 -4.97 105.19 100.21 1ai9 n GLY 113 Ca 0.21 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 44.05 1ai9 n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ai9 n GLY 114 N -0.24 1.05 0.37 -0.02 0.00 -1.26 -1.32 105.19 103.77 1ai9 n GLY 114 Ca 0.00 -1.65 -0.08 0.00 0.00 0.00 0.00 46.02 44.29 1ai9 n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ai9 h ALA 115 N -1.67 -0.27 -0.67 4.61 0.00 -1.97 0.11 119.26 119.41 1ai9 h ALA 115 Ca 0.00 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1ai9 h ALA 115 Cb 0.00 0.86 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1ai9 h ALA 115 CO 0.00 -0.79 0.22 1.49 0.00 0.00 0.00 179.25 180.17 1ai9 h GLU 116 N -0.25 1.01 -0.11 0.00 4.81 -1.95 -1.10 114.58 116.99 1ai9 h GLU 116 Ca 0.18 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1ai9 h GLU 116 Cb 0.56 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 1ai9 h GLU 116 CO -0.63 0.85 0.02 0.82 -0.73 0.00 0.00 179.01 179.34 1ai9 h ILE 117 N 0.98 1.22 -0.40 2.32 1.08 -1.72 -2.17 117.51 118.81 1ai9 h ILE 117 Ca 0.22 -0.70 0.06 0.00 -0.39 0.00 0.00 64.86 64.04 1ai9 h ILE 117 Cb 0.26 1.47 -0.05 0.00 -3.07 0.00 0.00 36.82 35.43 1ai9 h ILE 117 CO -0.01 0.20 0.10 1.88 -0.69 0.00 0.00 178.15 179.63 1ai9 h TYR 118 N -0.04 0.17 0.00 1.37 0.05 -0.75 -1.63 116.97 116.14 1ai9 h TYR 118 Ca 0.03 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.80 1ai9 h TYR 118 Cb 0.30 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.02 1ai9 h TYR 118 CO 0.02 0.04 -0.17 -0.91 -1.05 0.00 0.00 178.16 176.09 1ai9 h ASN 119 N 0.24 0.00 0.53 3.88 2.35 -1.10 -1.41 115.58 120.06 1ai9 h ASN 119 Ca 0.19 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.69 1ai9 h ASN 119 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1ai9 h ASN 119 CO -0.23 0.17 -1.09 -0.33 -1.65 0.00 0.00 177.43 174.30 1ai9 h GLU 120 N 0.00 0.31 0.00 0.81 5.08 -0.95 -3.37 114.58 116.46 1ai9 h GLU 120 Ca -0.00 -0.42 -0.15 0.00 -1.00 0.00 0.00 59.36 57.79 1ai9 h GLU 120 Cb 0.31 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1ai9 h GLU 120 CO 0.02 1.15 -1.47 1.28 -1.00 0.00 0.00 179.01 178.99 1ai9 n LEU 121 N -3.62 0.74 0.34 1.33 4.77 -0.65 -4.45 117.00 115.46 1ai9 n LEU 121 Ca -0.07 0.32 0.22 0.00 -0.03 0.00 0.00 56.01 56.45 1ai9 n LEU 121 Cb 0.93 0.08 1.18 0.00 -2.33 0.00 0.00 43.42 43.28 1ai9 n LEU 121 CO 0.52 0.12 1.18 -0.29 -1.33 0.00 0.00 177.39 177.59 1ai9 h ILE 122 N 0.00 0.00 -0.24 -0.08 2.10 -1.43 -1.52 117.51 116.34 1ai9 h ILE 122 Ca -0.16 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.78 1ai9 h ILE 122 Cb 1.52 0.96 0.00 0.00 -1.09 0.00 0.00 36.82 38.21 1ai9 h ILE 122 CO 0.04 0.00 0.00 0.59 -1.08 0.00 0.00 178.15 177.70 1ai9 n ASN 123 N -3.05 3.03 -4.71 2.19 5.03 -1.26 -4.90 115.26 111.58 1ai9 n ASN 123 Ca -0.03 -1.89 -0.42 0.00 0.87 0.00 0.00 54.58 53.11 1ai9 n ASN 123 Cb 0.11 -0.15 -0.03 0.00 -1.02 0.00 0.00 39.78 38.68 1ai9 n ASN 123 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1ai9 s ASN 124 N -1.43 7.26 0.59 6.41 3.04 -0.57 -4.94 114.94 125.30 1ai9 s ASN 124 Ca 0.30 1.85 0.34 0.00 0.04 0.00 0.00 52.86 55.38 1ai9 s ASN 124 Cb 0.19 -2.58 1.82 0.00 -1.54 0.00 0.00 41.25 39.14 1ai9 s ASN 124 CO 0.26 -0.32 2.20 -1.28 -3.04 0.00 0.00 177.10 174.92 1ai9 h SER 125 N 6.56 0.00 0.65 -4.21 0.87 -1.90 -1.79 113.55 113.72 1ai9 h SER 125 Ca -0.42 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.09 1ai9 h SER 125 Cb 1.22 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.17 1ai9 h SER 125 CO 0.77 0.04 -0.25 -0.07 -0.53 0.00 0.00 176.83 176.80 1ai9 h LEU 126 N 0.00 0.00 -8.69 2.23 3.38 -1.92 -3.42 115.31 106.89 1ai9 h LEU 126 Ca -0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 1ai9 h LEU 126 Cb 0.17 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 1ai9 h LEU 126 CO 0.01 0.25 1.03 -0.69 0.09 0.00 0.00 178.44 179.12 1ai9 s VAL 127 N -3.88 3.96 -1.16 1.22 1.01 -0.68 -3.89 120.40 116.98 1ai9 s VAL 127 Ca -0.01 0.92 0.12 0.00 0.00 0.00 0.00 61.98 63.01 1ai9 s VAL 127 Cb 0.12 -4.43 0.01 0.00 0.00 0.00 0.00 36.38 32.07 1ai9 s VAL 127 CO 0.64 -1.01 0.73 -1.54 0.00 0.00 0.00 175.10 173.92 1ai9 n SER 128 N 8.75 1.43 -4.00 3.32 3.41 -0.40 -4.95 113.62 121.19 1ai9 n SER 128 Ca 0.13 -1.22 -0.13 0.00 -0.26 0.00 0.00 58.87 57.40 1ai9 n SER 128 Cb 0.49 0.41 -0.12 0.00 -0.26 0.00 0.00 64.21 64.73 1ai9 n SER 128 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1ai9 s HIS 129 N -1.48 0.47 -0.13 7.33 3.76 -1.20 -4.38 115.29 119.66 1ai9 s HIS 129 Ca 0.11 -0.34 0.01 0.00 -0.15 0.00 0.00 55.06 54.68 1ai9 s HIS 129 Cb 0.10 -0.29 -0.01 0.00 1.11 0.00 0.00 32.58 33.49 1ai9 s HIS 129 CO 0.29 -0.07 -0.16 -0.51 -0.85 0.00 0.00 174.74 173.43 1ai9 s LEU 130 N -0.99 2.51 -0.49 0.89 1.02 -0.48 -1.64 118.68 119.50 1ai9 s LEU 130 Ca -0.07 -0.42 -0.03 0.00 0.02 0.00 0.00 54.13 53.63 1ai9 s LEU 130 Cb -0.07 -1.55 0.13 0.00 0.02 0.00 0.00 46.19 44.72 1ai9 s LEU 130 CO -0.00 0.14 0.30 -0.76 0.02 0.00 0.00 176.35 176.05 1ai9 s LEU 131 N 0.50 5.27 -0.18 1.79 1.02 0.15 -0.84 118.68 126.38 1ai9 s LEU 131 Ca -0.11 -2.34 -0.06 0.00 0.02 0.00 0.00 54.13 51.65 1ai9 s LEU 131 Cb -0.16 -1.85 -0.03 0.00 0.02 0.00 0.00 46.19 44.17 1ai9 s LEU 131 CO 0.05 -0.49 0.02 -0.63 0.02 0.00 0.00 176.35 175.32 1ai9 s ILE 132 N 0.70 4.28 -0.48 -0.59 1.01 -0.81 -0.98 121.20 124.33 1ai9 s ILE 132 Ca 0.11 -0.21 -0.19 0.00 0.00 0.00 0.00 60.65 60.36 1ai9 s ILE 132 Cb -0.22 -2.92 0.04 0.00 0.01 0.00 0.00 42.46 39.38 1ai9 s ILE 132 CO -0.04 0.46 0.59 -0.89 0.00 0.00 0.00 174.94 175.06 1ai9 s THR 133 N 0.58 4.91 -0.31 2.92 2.01 0.06 -1.51 115.64 124.30 1ai9 s THR 133 Ca 0.00 -0.36 -0.22 0.00 0.31 0.00 0.00 61.69 61.42 1ai9 s THR 133 Cb -0.14 -4.23 -0.00 0.00 0.01 0.00 0.00 72.50 68.14 1ai9 s THR 133 CO 0.02 -0.69 0.73 -1.61 -0.69 0.00 0.00 174.62 172.38 1ai9 s GLU 134 N 2.55 3.91 -0.13 4.92 2.02 -0.11 -1.41 118.70 130.45 1ai9 s GLU 134 Ca 0.16 0.44 -0.08 0.00 0.02 0.00 0.00 54.97 55.50 1ai9 s GLU 134 Cb -0.18 -3.74 -0.04 0.00 0.10 0.00 0.00 34.13 30.27 1ai9 s GLU 134 CO 0.14 -0.66 0.16 0.42 0.02 0.00 0.00 175.26 175.33 1ai9 s ILE 135 N 2.84 5.46 0.13 -1.63 1.01 -0.16 -2.12 121.20 126.74 1ai9 s ILE 135 Ca 0.29 0.25 0.05 0.00 0.00 0.00 0.00 60.65 61.24 1ai9 s ILE 135 Cb -0.14 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 1ai9 s ILE 135 CO 0.13 0.58 -0.11 -1.61 0.00 0.00 0.00 174.94 173.93 1ai9 s GLU 136 N -0.76 1.02 -0.11 2.79 2.02 0.26 -1.09 118.70 122.84 1ai9 s GLU 136 Ca 0.14 -1.34 -0.26 0.00 0.02 0.00 0.00 54.97 53.54 1ai9 s GLU 136 Cb -0.12 -0.69 0.06 0.00 0.10 0.00 0.00 34.13 33.47 1ai9 s GLU 136 CO 0.03 0.11 0.61 -1.58 0.02 0.00 0.00 175.26 174.45 1ai9 s HIS 137 N -2.82 -0.60 0.26 1.61 2.46 -1.26 -1.26 115.29 113.68 1ai9 s HIS 137 Ca 0.13 1.18 -0.03 0.00 0.47 0.00 0.00 55.06 56.81 1ai9 s HIS 137 Cb -0.01 0.31 0.41 0.00 -0.13 0.00 0.00 32.58 33.16 1ai9 s HIS 137 CO 0.01 -0.49 1.86 -1.35 -2.47 0.00 0.00 174.74 172.31 1ai9 h PRO 138 N 3.83 1.03 -2.55 2.88 0.10 -2.01 -3.32 132.00 131.96 1ai9 h PRO 138 Ca -0.28 -0.06 -0.60 0.00 0.10 0.00 0.00 66.00 65.16 1ai9 h PRO 138 Cb 1.15 -0.23 -0.39 0.00 0.10 0.00 0.00 31.00 31.63 1ai9 h PRO 138 CO 0.30 0.68 -0.85 -1.13 0.10 0.00 0.00 178.00 177.10 1ai9 n SER 139 N -4.57 0.75 -0.28 -2.05 3.41 -1.26 -4.99 113.62 104.63 1ai9 n SER 139 Ca 0.15 -2.68 0.11 0.00 -0.26 0.00 0.00 58.87 56.20 1ai9 n SER 139 Cb 0.22 -0.62 0.36 0.00 -0.26 0.00 0.00 64.21 63.91 1ai9 n SER 139 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1ai9 h PRO 140 N 5.41 0.70 0.00 4.33 0.13 -1.90 0.50 132.00 141.17 1ai9 h PRO 140 Ca 0.22 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1ai9 h PRO 140 Cb 0.85 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.82 1ai9 h PRO 140 CO 0.50 0.46 0.00 1.05 -0.23 0.00 0.00 178.00 179.78 1ai9 h GLU 141 N 0.72 0.00 0.00 0.86 -0.00 -1.94 0.52 114.58 114.75 1ai9 h GLU 141 Ca 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.82 1ai9 h GLU 141 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.45 1ai9 h GLU 141 CO -0.21 0.00 -0.16 0.77 -0.00 0.00 0.00 179.01 179.41 1ai9 h SER 142 N 0.00 0.00 -3.47 3.06 0.02 -1.33 -3.43 113.55 108.41 1ai9 h SER 142 Ca 0.00 -0.01 -0.61 0.00 -0.84 0.00 0.00 61.79 60.33 1ai9 h SER 142 Cb 0.03 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 62.46 1ai9 h SER 142 CO 0.00 0.01 0.27 -0.63 -1.14 0.00 0.00 176.83 175.34 1ai9 s ILE 143 N -3.20 4.88 0.09 3.27 -1.09 0.17 -5.03 121.20 120.29 1ai9 s ILE 143 Ca 0.07 1.08 -0.30 0.00 -2.23 0.00 0.00 60.65 59.26 1ai9 s ILE 143 Cb 0.07 -4.06 -0.05 0.00 -1.58 0.00 0.00 42.46 36.85 1ai9 s ILE 143 CO 0.67 -0.15 0.98 -1.61 -1.23 0.00 0.00 174.94 173.60 1ai9 s GLU 144 N 2.75 4.65 0.02 2.79 2.02 -1.26 -5.02 118.70 124.64 1ai9 s GLU 144 Ca 0.29 1.47 -0.28 0.00 0.02 0.00 0.00 54.97 56.48 1ai9 s GLU 144 Cb -0.15 -3.39 0.08 0.00 0.10 0.00 0.00 34.13 30.78 1ai9 s GLU 144 CO 0.11 0.12 0.73 0.00 0.02 0.00 0.00 175.26 176.25 1ai9 s MET 145 N 0.25 1.03 0.00 1.61 0.23 -1.26 -4.56 119.30 116.60 1ai9 s MET 145 Ca 0.49 -0.11 0.00 0.00 -1.03 0.00 0.00 55.69 55.04 1ai9 s MET 145 Cb -0.23 0.48 0.00 0.00 -1.53 0.00 0.00 34.83 33.55 1ai9 s MET 145 CO 0.30 -0.40 0.44 -0.40 -2.03 0.00 0.00 175.02 172.93 1ai9 n ASP 146 N 0.23 0.72 -3.92 -1.18 5.68 -0.81 -4.98 116.55 112.29 1ai9 n ASP 146 Ca -0.15 -1.19 -0.24 0.00 -0.50 0.00 0.00 54.79 52.71 1ai9 n ASP 146 Cb 0.61 0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 40.42 1ai9 n ASP 146 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1ai9 s THR 147 N -0.19 0.82 0.10 2.12 2.01 -1.00 -5.01 115.64 114.49 1ai9 s THR 147 Ca 0.00 -0.23 0.04 0.00 0.31 0.00 0.00 61.69 61.80 1ai9 s THR 147 Cb 0.00 -0.83 -0.04 0.00 0.01 0.00 0.00 72.50 71.64 1ai9 s THR 147 CO 0.00 0.31 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.78 1ai9 s PHE 148 N 1.22 1.07 0.16 4.92 0.40 -1.26 -0.28 117.98 124.21 1ai9 s PHE 148 Ca -0.05 -0.66 -0.24 0.00 -0.60 0.00 0.00 56.93 55.38 1ai9 s PHE 148 Cb -0.14 -0.58 -0.08 0.00 0.51 0.00 0.00 43.02 42.73 1ai9 s PHE 148 CO -0.02 0.00 0.74 -0.51 0.70 0.00 0.00 175.22 176.13 1ai9 s LEU 149 N -2.46 4.56 -0.60 -0.37 1.43 -0.83 -4.92 118.68 115.48 1ai9 s LEU 149 Ca 0.06 1.56 0.06 0.00 -1.03 0.00 0.00 54.13 54.78 1ai9 s LEU 149 Cb -0.03 -3.26 0.25 0.00 0.03 0.00 0.00 46.19 43.18 1ai9 s LEU 149 CO 0.00 0.20 0.70 0.29 0.23 0.00 0.00 176.35 177.77 1ai9 n LYS 150 N 1.51 2.21 -4.20 1.70 4.76 -1.26 -4.92 118.16 117.96 1ai9 n LYS 150 Ca -0.06 -4.44 -0.36 0.00 -2.87 0.00 0.00 58.31 50.59 1ai9 n LYS 150 Cb 0.49 -2.10 -0.08 0.00 -1.84 0.00 0.00 35.03 31.50 1ai9 n LYS 150 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1ai9 s PHE 151 N -2.22 3.31 -1.36 2.13 0.08 -1.26 -4.94 117.98 113.72 1ai9 s PHE 151 Ca 0.38 0.30 -0.11 0.00 0.12 0.00 0.00 56.93 57.62 1ai9 s PHE 151 Cb 0.14 -1.85 0.11 0.00 -0.57 0.00 0.00 43.02 40.85 1ai9 s PHE 151 CO -0.04 0.55 2.05 -0.35 -0.10 0.00 0.00 175.22 177.34 1ai9 n PRO 152 N 2.13 3.30 0.33 0.24 -0.04 -1.26 -4.78 135.00 134.91 1ai9 n PRO 152 Ca -0.19 -3.11 0.20 0.00 -0.04 0.00 0.00 63.50 60.36 1ai9 n PRO 152 Cb 0.54 -3.08 1.05 0.00 -0.04 0.00 0.00 33.50 31.97 1ai9 n PRO 152 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1ai9 h LEU 153 N 8.76 0.00 -2.22 1.53 3.38 -1.96 -0.33 115.31 124.48 1ai9 h LEU 153 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.45 1ai9 h LEU 153 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1ai9 h LEU 153 CO 1.74 0.00 0.00 1.05 0.09 0.00 0.00 178.44 181.32 1ai9 h GLU 154 N 0.00 0.00 -0.66 1.13 9.09 -2.03 -2.13 114.58 119.98 1ai9 h GLU 154 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.42 1ai9 h GLU 154 Cb 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.38 1ai9 h GLU 154 CO -0.00 0.00 0.00 0.43 0.05 0.00 0.00 179.01 179.49 1ai9 n SER 155 N -3.08 4.61 -4.33 3.06 7.64 -0.13 -4.92 113.62 116.47 1ai9 n SER 155 Ca -0.01 -2.37 -0.22 0.00 1.01 0.00 0.00 58.87 57.28 1ai9 n SER 155 Cb 0.19 -0.56 -0.11 0.00 -1.01 0.00 0.00 64.21 62.71 1ai9 n SER 155 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1ai9 s TRP 156 N -1.70 1.83 -0.13 1.43 0.52 -0.80 -0.66 118.94 119.43 1ai9 s TRP 156 Ca 0.51 -0.46 0.02 0.00 0.02 0.00 0.00 56.10 56.19 1ai9 s TRP 156 Cb 0.32 -0.92 0.01 0.00 -1.15 0.00 0.00 33.47 31.73 1ai9 s TRP 156 CO 0.26 0.32 -0.20 0.99 0.02 0.00 0.00 176.95 178.34 1ai9 s THR 157 N -1.95 1.91 -0.01 2.01 2.01 0.16 -4.77 115.64 115.00 1ai9 s THR 157 Ca 0.15 -0.89 -0.30 0.00 0.31 0.00 0.00 61.69 60.95 1ai9 s THR 157 Cb -0.06 -1.69 -0.05 0.00 0.01 0.00 0.00 72.50 70.70 1ai9 s THR 157 CO 0.06 0.52 1.34 -0.75 -0.69 0.00 0.00 174.62 175.10 1ai9 s LYS 158 N 0.82 4.31 0.54 4.92 2.20 -1.26 -1.51 119.74 129.76 1ai9 s LYS 158 Ca -0.08 1.88 -0.07 0.00 -0.36 0.00 0.00 55.97 57.34 1ai9 s LYS 158 Cb -0.16 -3.55 -0.03 0.00 -1.51 0.00 0.00 37.83 32.58 1ai9 s LYS 158 CO -0.01 -0.53 0.88 -0.65 -0.36 0.00 0.00 175.35 174.68 1ai9 s GLN 159 N 2.28 3.40 0.65 4.03 -1.52 0.16 -4.98 119.66 123.68 1ai9 s GLN 159 Ca 0.61 0.30 -0.16 0.00 -1.95 0.00 0.00 55.36 54.16 1ai9 s GLN 159 Cb -0.29 -2.27 -0.00 0.00 -0.22 0.00 0.00 33.01 30.22 1ai9 s GLN 159 CO 0.25 -0.42 1.15 -1.25 -0.25 0.00 0.00 175.29 174.77 1ai9 s PRO 160 N -4.92 2.75 0.35 2.91 0.04 -1.26 -4.62 135.00 130.25 1ai9 s PRO 160 Ca 0.51 1.56 0.13 0.00 0.04 0.00 0.00 61.00 63.25 1ai9 s PRO 160 Cb -0.11 -1.93 1.00 0.00 0.04 0.00 0.00 34.50 33.51 1ai9 s PRO 160 CO 0.47 -1.32 1.72 -0.22 0.04 0.00 0.00 177.00 177.69 1ai9 h LYS 161 N 0.24 0.45 -0.98 4.56 3.64 -1.96 -1.18 116.57 121.35 1ai9 h LYS 161 Ca -0.48 -0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.01 1ai9 h LYS 161 Cb 1.27 -0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 32.90 1ai9 h LYS 161 CO 0.54 0.30 0.62 0.66 -2.27 0.00 0.00 179.45 179.29 1ai9 h SER 162 N 0.47 0.84 -0.07 4.20 4.64 -2.00 -1.13 113.55 120.50 1ai9 h SER 162 Ca 0.66 0.05 -0.11 0.00 -0.47 0.00 0.00 61.79 61.93 1ai9 h SER 162 Cb 1.44 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.41 1ai9 h SER 162 CO -0.46 0.42 -0.29 -0.33 -0.87 0.00 0.00 176.83 175.30 1ai9 h GLU 163 N 0.88 0.53 -0.19 4.77 4.39 -1.57 -1.54 114.58 121.85 1ai9 h GLU 163 Ca 0.50 -0.22 -0.05 0.00 0.34 0.00 0.00 59.36 59.93 1ai9 h GLU 163 Cb 0.61 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1ai9 h GLU 163 CO -0.27 0.76 -0.08 1.25 -1.16 0.00 0.00 179.01 179.52 1ai9 h LEU 164 N 0.46 0.39 -1.07 1.33 5.85 -1.26 -2.32 115.31 118.69 1ai9 h LEU 164 Ca 0.06 -0.40 0.07 0.00 0.84 0.00 0.00 57.88 58.45 1ai9 h LEU 164 Cb 0.73 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.59 1ai9 h LEU 164 CO 0.06 0.70 0.62 -0.61 -0.34 0.00 0.00 178.44 178.87 1ai9 h GLN 165 N 0.08 1.08 -0.75 1.25 5.75 -1.22 -0.54 115.11 120.77 1ai9 h GLN 165 Ca 0.04 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.50 1ai9 h GLN 165 Cb 0.55 -0.24 -0.04 0.00 1.07 0.00 0.00 27.48 28.81 1ai9 h GLN 165 CO 0.02 0.71 0.49 0.87 -2.65 0.00 0.00 178.83 178.28 1ai9 h LYS 166 N 1.11 0.95 -0.26 1.69 1.57 -0.91 -2.24 116.57 118.48 1ai9 h LYS 166 Ca 0.42 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.98 1ai9 h LYS 166 Cb 0.19 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 1ai9 h LYS 166 CO -0.16 0.63 -0.43 0.35 -0.57 0.00 0.00 179.45 179.26 1ai9 h PHE 167 N 0.98 0.95 -0.00 -1.35 3.04 -0.79 -3.29 116.94 116.48 1ai9 h PHE 167 Ca 0.28 -0.33 0.00 0.00 3.98 0.00 0.00 57.97 61.91 1ai9 h PHE 167 Cb -0.07 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.26 1ai9 h PHE 167 CO -0.03 1.12 -0.27 0.28 -2.02 0.00 0.00 178.31 177.39 1ai9 n VAL 168 N -4.14 0.00 0.00 1.41 0.31 -0.30 -5.01 118.33 110.60 1ai9 n VAL 168 Ca -0.05 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1ai9 n VAL 168 Cb 0.56 -0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 1ai9 n VAL 168 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ai9 n GLY 169 N 1.45 2.47 0.12 2.92 0.00 -0.85 -3.39 105.19 107.89 1ai9 n GLY 169 Ca 0.08 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1ai9 n GLY 169 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ai9 h ASP 170 N 0.00 0.00 -2.70 1.61 5.19 -1.95 -3.45 116.42 115.12 1ai9 h ASP 170 Ca 0.00 -0.06 -0.60 0.00 -0.62 0.00 0.00 57.03 55.76 1ai9 h ASP 170 Cb 0.00 0.00 0.10 0.00 0.18 0.00 0.00 39.33 39.61 1ai9 h ASP 170 CO 0.00 0.03 0.31 0.41 -3.12 0.00 0.00 179.24 176.87 1ai9 n THR 171 N -2.43 1.77 -3.12 0.35 -1.04 -1.22 -4.95 114.28 103.65 1ai9 n THR 171 Ca 0.04 -0.44 -0.39 0.00 -2.04 0.00 0.00 64.05 61.22 1ai9 n THR 171 Cb 0.46 -1.21 -0.05 0.00 -1.82 0.00 0.00 70.33 67.71 1ai9 n THR 171 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1ai9 s VAL 172 N -0.87 4.97 -0.44 12.58 0.11 -1.26 -5.02 120.40 130.47 1ai9 s VAL 172 Ca 0.60 1.35 -0.03 0.00 -2.93 0.00 0.00 61.98 60.97 1ai9 s VAL 172 Cb -0.67 -3.99 0.12 0.00 -1.53 0.00 0.00 36.38 30.31 1ai9 s VAL 172 CO 0.59 0.33 0.24 -0.76 -3.33 0.00 0.00 175.10 172.17 1ai9 s LEU 173 N 0.33 5.26 0.31 2.54 1.02 -1.26 -5.09 118.68 121.80 1ai9 s LEU 173 Ca 0.34 -2.14 -0.18 0.00 0.02 0.00 0.00 54.13 52.18 1ai9 s LEU 173 Cb -0.18 -1.84 -0.09 0.00 0.02 0.00 0.00 46.19 44.10 1ai9 s LEU 173 CO 0.18 -0.52 0.77 -1.61 0.02 0.00 0.00 176.35 175.19 1ai9 s GLU 174 N 0.98 4.13 0.24 1.70 2.02 -1.26 -5.07 118.70 121.44 1ai9 s GLU 174 Ca 0.09 0.82 -0.01 0.00 0.02 0.00 0.00 54.97 55.89 1ai9 s GLU 174 Cb -0.23 -2.52 -0.04 0.00 0.10 0.00 0.00 34.13 31.44 1ai9 s GLU 174 CO -0.04 0.19 0.43 -0.51 0.02 0.00 0.00 175.26 175.36 1ai9 s ASP 175 N -2.08 6.38 -1.27 -0.19 1.01 -1.26 -4.62 116.67 114.64 1ai9 s ASP 175 Ca 0.52 0.43 -0.18 0.00 0.71 0.00 0.00 52.55 54.03 1ai9 s ASP 175 Cb -0.12 -2.02 0.01 0.00 1.01 0.00 0.00 42.92 41.80 1ai9 s ASP 175 CO 0.18 -0.10 0.59 0.47 0.21 0.00 0.00 175.17 176.52 1ai9 n ASP 176 N -0.89 -3.16 -4.70 0.27 8.00 -1.18 -4.85 116.55 110.05 1ai9 n ASP 176 Ca -0.05 -1.13 -0.42 0.00 0.71 0.00 0.00 54.79 53.90 1ai9 n ASP 176 Cb 0.54 -2.59 -0.03 0.00 -0.02 0.00 0.00 41.12 39.03 1ai9 n ASP 176 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ai9 s ILE 177 N -3.70 4.10 -0.10 0.53 1.01 -0.18 -4.77 121.20 118.10 1ai9 s ILE 177 Ca 0.33 1.46 -0.04 0.00 0.00 0.00 0.00 60.65 62.39 1ai9 s ILE 177 Cb -0.15 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 1ai9 s ILE 177 CO 0.92 0.03 0.09 -0.54 0.00 0.00 0.00 174.94 175.43 1ai9 s LYS 178 N 1.91 3.24 -0.22 2.79 1.02 -1.26 -1.35 119.74 125.87 1ai9 s LYS 178 Ca 0.58 -0.26 -0.03 0.00 0.02 0.00 0.00 55.97 56.27 1ai9 s LYS 178 Cb -0.27 -3.01 0.11 0.00 -0.52 0.00 0.00 37.83 34.13 1ai9 s LYS 178 CO 0.25 0.74 0.27 -1.21 -0.92 0.00 0.00 175.35 174.48 1ai9 s GLU 179 N -1.05 0.25 7.28 1.68 2.02 -0.43 -5.02 118.70 123.43 1ai9 s GLU 179 Ca 0.15 0.27 0.00 0.00 0.02 0.00 0.00 54.97 55.41 1ai9 s GLU 179 Cb -0.12 -0.96 0.00 0.00 0.10 0.00 0.00 34.13 33.15 1ai9 s GLU 179 CO 0.04 -0.68 0.00 0.41 0.02 0.00 0.00 175.26 175.05 1ai9 n GLY 180 N 5.33 3.21 0.22 -1.39 0.00 -1.26 -1.02 105.19 110.28 1ai9 n GLY 180 Ca -0.05 -0.22 0.15 0.00 0.00 0.00 0.00 46.02 45.90 1ai9 n GLY 180 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ai9 n ASP 181 N 4.04 0.73 -4.88 1.61 8.00 -1.26 -4.93 116.55 119.87 1ai9 n ASP 181 Ca 0.00 -1.05 -0.32 0.00 0.71 0.00 0.00 54.79 54.13 1ai9 n ASP 181 Cb 0.00 -0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.03 1ai9 n ASP 181 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1ai9 s PHE 182 N -2.16 3.45 -0.04 1.24 0.08 -0.19 -4.34 117.98 116.02 1ai9 s PHE 182 Ca 0.38 0.84 0.03 0.00 0.12 0.00 0.00 56.93 58.29 1ai9 s PHE 182 Cb 0.21 -2.23 0.00 0.00 -0.57 0.00 0.00 43.02 40.44 1ai9 s PHE 182 CO 0.39 0.31 -0.12 0.99 -0.10 0.00 0.00 175.22 176.70 1ai9 s THR 183 N -1.76 1.02 0.16 0.64 2.01 -0.39 -1.31 115.64 116.02 1ai9 s THR 183 Ca 0.45 -0.47 -0.09 0.00 0.31 0.00 0.00 61.69 61.89 1ai9 s THR 183 Cb -0.12 -0.91 -0.01 0.00 0.01 0.00 0.00 72.50 71.48 1ai9 s THR 183 CO 0.21 0.31 0.28 -0.72 -0.69 0.00 0.00 174.62 174.02 1ai9 s TYR 184 N 0.26 0.36 -0.02 4.92 1.13 -0.45 0.92 117.35 124.46 1ai9 s TYR 184 Ca -0.06 -0.73 -0.05 0.00 -1.41 0.00 0.00 57.07 54.82 1ai9 s TYR 184 Cb -0.11 -0.04 0.01 0.00 -1.10 0.00 0.00 41.96 40.71 1ai9 s TYR 184 CO 0.02 -0.71 0.12 -0.80 -2.51 0.00 0.00 175.55 171.67 1ai9 s ASN 185 N -2.95 -0.05 0.10 -0.18 -0.87 -0.90 -1.01 114.94 109.07 1ai9 s ASN 185 Ca 0.16 0.03 -0.23 0.00 -1.57 0.00 0.00 52.86 51.24 1ai9 s ASN 185 Cb 0.03 0.24 -0.07 0.00 -0.02 0.00 0.00 41.25 41.43 1ai9 s ASN 185 CO -0.01 -0.19 0.70 -0.31 -2.57 0.00 0.00 177.10 174.71 1ai9 s TYR 186 N -0.62 3.82 0.10 2.20 2.02 -1.26 -0.94 117.35 122.67 1ai9 s TYR 186 Ca -0.07 1.46 0.01 0.00 -0.37 0.00 0.00 57.07 58.10 1ai9 s TYR 186 Cb -0.04 -2.69 -0.04 0.00 -0.40 0.00 0.00 41.96 38.78 1ai9 s TYR 186 CO 0.01 0.46 -0.04 0.95 -1.57 0.00 0.00 175.55 175.35 1ai9 s THR 187 N -0.78 0.59 -0.04 -0.71 -4.23 -0.57 -4.96 115.64 104.93 1ai9 s THR 187 Ca 0.34 -1.92 0.04 0.00 -1.18 0.00 0.00 61.69 58.96 1ai9 s THR 187 Cb -0.21 -1.74 0.00 0.00 1.34 0.00 0.00 72.50 71.89 1ai9 s THR 187 CO 0.23 -0.81 -0.14 -0.22 -0.54 0.00 0.00 174.62 173.13 1ai9 s LEU 188 N -3.04 1.85 0.02 4.79 2.96 -1.26 -1.93 118.68 122.06 1ai9 s LEU 188 Ca 0.14 -0.30 0.05 0.00 -0.22 0.00 0.00 54.13 53.79 1ai9 s LEU 188 Cb 0.06 -0.84 -0.02 0.00 0.50 0.00 0.00 46.19 45.90 1ai9 s LEU 188 CO -0.04 0.11 -0.15 0.26 -1.32 0.00 0.00 176.35 175.22 1ai9 s TRP 189 N 0.16 1.29 0.28 5.38 0.52 -0.02 0.36 118.94 126.90 1ai9 s TRP 189 Ca -0.05 -0.31 0.09 0.00 0.02 0.00 0.00 56.10 55.85 1ai9 s TRP 189 Cb -0.11 -0.79 -0.05 0.00 -1.15 0.00 0.00 33.47 31.36 1ai9 s TRP 189 CO 0.02 0.02 -0.13 0.95 0.02 0.00 0.00 176.95 177.83 1ai9 s THR 190 N -0.65 2.02 0.37 2.01 -4.23 -0.57 -1.38 115.64 113.21 1ai9 s THR 190 Ca 0.04 -2.24 -0.26 0.00 -1.18 0.00 0.00 61.69 58.05 1ai9 s THR 190 Cb -0.07 -2.36 -0.09 0.00 1.34 0.00 0.00 72.50 71.32 1ai9 s THR 190 CO 0.01 -0.37 1.11 -0.13 -0.54 0.00 0.00 174.62 174.69 1ai9 s ARG 191 N -3.62 4.25 0.00 3.99 0.52 -1.26 0.37 118.95 123.20 1ai9 s ARG 191 Ca 0.29 1.72 0.30 0.00 -0.52 0.00 0.00 55.73 57.52 1ai9 s ARG 191 Cb 0.00 -2.77 1.81 0.00 0.52 0.00 0.00 34.95 34.51 1ai9 s ARG 191 CO 0.13 -0.11 2.14 1.63 0.02 0.00 0.00 175.30 179.11