#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sy9 n ASP 2 N 0.00 5.59 -0.23 0.00 8.00 -1.26 -4.79 116.55 123.87 1sy9 n ASP 2 Ca 0.00 -3.16 -0.06 0.00 0.71 0.00 0.00 54.79 52.28 1sy9 n ASP 2 Cb 0.00 -1.42 0.10 0.00 -0.02 0.00 0.00 41.12 39.78 1sy9 n ASP 2 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1sy9 h GLN 3 N 6.07 1.06 -1.00 -1.24 4.20 -2.06 -2.87 115.11 119.27 1sy9 h GLN 3 Ca 0.29 -0.23 0.01 0.00 0.06 0.00 0.00 58.65 58.78 1sy9 h GLN 3 Cb 0.71 -0.15 -0.05 0.00 0.30 0.00 0.00 27.48 28.29 1sy9 h GLN 3 CO 1.36 0.92 0.66 -0.07 -0.67 0.00 0.00 178.83 181.04 1sy9 h LEU 4 N 1.01 1.15 -7.04 1.46 3.38 -2.09 -3.38 115.31 109.80 1sy9 h LEU 4 Ca 0.22 -0.03 -0.50 0.00 0.09 0.00 0.00 57.88 57.66 1sy9 h LEU 4 Cb 0.32 -0.29 -0.40 0.00 0.09 0.00 0.00 40.66 40.38 1sy9 h LEU 4 CO -0.00 0.83 -0.76 0.42 0.09 0.00 0.00 178.44 179.02 1sy9 s THR 5 N -6.12 0.10 -0.84 0.22 -4.23 -1.09 -4.98 115.64 98.70 1sy9 s THR 5 Ca -0.13 -0.47 0.27 0.00 -1.18 0.00 0.00 61.69 60.18 1sy9 s THR 5 Cb 0.18 -0.84 0.26 0.00 1.34 0.00 0.00 72.50 73.44 1sy9 s THR 5 CO 0.82 -0.40 1.83 -0.62 -0.54 0.00 0.00 174.62 175.70 1sy9 n GLU 6 N 5.20 0.14 0.19 3.99 1.02 -1.20 -3.18 120.64 126.80 1sy9 n GLU 6 Ca -0.07 0.14 0.06 0.00 -0.02 0.00 0.00 57.16 57.27 1sy9 n GLU 6 Cb 0.46 -1.67 0.38 0.00 -0.02 0.00 0.00 31.44 30.59 1sy9 n GLU 6 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1sy9 h GLU 7 N 0.00 0.00 -0.08 3.49 5.08 -1.94 -2.52 114.58 118.61 1sy9 h GLU 7 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1sy9 h GLU 7 Cb 0.61 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1sy9 h GLU 7 CO 0.00 0.36 -0.24 1.96 -1.00 0.00 0.00 179.01 180.09 1sy9 h GLN 8 N 0.00 0.14 -0.56 2.33 1.08 -1.91 -2.84 115.11 113.35 1sy9 h GLN 8 Ca -0.00 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1sy9 h GLN 8 Cb 0.81 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.19 1sy9 h GLN 8 CO 0.05 0.38 0.37 0.82 -0.95 0.00 0.00 178.83 179.50 1sy9 h ILE 9 N 0.13 1.14 0.00 2.54 2.04 -1.63 -1.88 117.51 119.84 1sy9 h ILE 9 Ca 0.02 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 1sy9 h ILE 9 Cb 0.50 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1sy9 h ILE 9 CO 0.03 0.14 -0.21 0.00 0.00 0.00 0.00 178.15 178.12 1sy9 h ALA 10 N 1.65 1.38 -0.18 1.87 0.00 -1.62 -1.73 119.26 120.63 1sy9 h ALA 10 Ca 0.21 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1sy9 h ALA 10 Cb -0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1sy9 h ALA 10 CO -0.05 0.26 -0.15 0.93 0.00 0.00 0.00 179.25 180.24 1sy9 h GLU 11 N 0.00 0.42 0.00 0.00 5.08 -1.46 -1.92 114.58 116.70 1sy9 h GLU 11 Ca -0.00 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.10 1sy9 h GLU 11 Cb 0.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1sy9 h GLU 11 CO 0.03 0.77 -0.21 0.74 -1.00 0.00 0.00 179.01 179.34 1sy9 h PHE 12 N 0.08 0.00 -0.29 4.33 0.04 -1.46 -2.59 116.94 117.04 1sy9 h PHE 12 Ca 0.03 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.64 1sy9 h PHE 12 Cb 0.68 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.83 1sy9 h PHE 12 CO 0.08 0.21 -0.46 -0.22 -0.60 0.00 0.00 178.31 177.31 1sy9 h LYS 13 N 0.00 0.83 0.00 1.51 3.64 -1.07 -1.92 116.57 119.57 1sy9 h LYS 13 Ca -0.00 -0.50 -0.10 0.00 -1.27 0.00 0.00 60.65 58.78 1sy9 h LYS 13 Cb 0.63 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 1sy9 h LYS 13 CO 0.03 1.14 -0.46 0.93 -2.27 0.00 0.00 179.45 178.82 1sy9 h GLU 14 N 0.60 0.00 0.00 1.90 4.39 -1.03 -2.98 114.58 117.46 1sy9 h GLU 14 Ca 0.03 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.56 1sy9 h GLU 14 Cb 1.06 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.69 1sy9 h GLU 14 CO 0.11 0.46 -0.84 0.00 -1.16 0.00 0.00 179.01 177.57 1sy9 h ALA 15 N 1.54 0.54 -0.97 3.43 0.00 -1.39 -3.33 119.26 119.08 1sy9 h ALA 15 Ca -0.00 -0.73 0.01 0.00 0.00 0.00 0.00 54.91 54.19 1sy9 h ALA 15 Cb 0.88 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 1sy9 h ALA 15 CO 0.06 0.96 0.65 0.35 0.00 0.00 0.00 179.25 181.27 1sy9 h PHE 16 N 0.00 1.23 -0.83 0.00 3.04 -1.18 -1.87 116.94 117.32 1sy9 h PHE 16 Ca -0.03 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.92 1sy9 h PHE 16 Cb 1.60 -0.41 -0.04 0.00 2.56 0.00 0.00 35.95 39.65 1sy9 h PHE 16 CO 0.00 0.77 0.41 1.03 -2.02 0.00 0.00 178.31 178.50 1sy9 h SER 17 N 1.32 1.07 -0.94 0.41 0.87 -1.67 0.70 113.55 115.31 1sy9 h SER 17 Ca 0.36 -0.12 0.01 0.00 -1.23 0.00 0.00 61.79 60.81 1sy9 h SER 17 Cb -0.15 -0.27 -0.05 0.00 -0.44 0.00 0.00 62.40 61.49 1sy9 h SER 17 CO -0.08 0.89 0.63 0.25 -0.53 0.00 0.00 176.83 177.99 1sy9 h LEU 18 N 1.17 1.08 0.07 2.23 5.85 -1.50 -2.56 115.31 121.66 1sy9 h LEU 18 Ca 0.29 -0.03 -0.29 0.00 0.84 0.00 0.00 57.88 58.69 1sy9 h LEU 18 Cb 0.10 -0.27 0.02 0.00 0.37 0.00 0.00 40.66 40.88 1sy9 h LEU 18 CO -0.04 0.78 -1.19 -0.26 -0.34 0.00 0.00 178.44 177.40 1sy9 h PHE 19 N 1.28 0.92 -3.01 1.25 0.04 -0.84 -3.40 116.94 113.19 1sy9 h PHE 19 Ca 0.35 -0.57 -0.72 0.00 2.80 0.00 0.00 57.97 59.83 1sy9 h PHE 19 Cb -0.15 -0.08 -0.21 0.00 2.20 0.00 0.00 35.95 37.71 1sy9 h PHE 19 CO -0.01 1.41 0.26 0.34 -0.60 0.00 0.00 178.31 179.71 1sy9 s ASP 20 N -7.35 6.41 0.39 2.17 -1.08 0.24 -4.78 116.67 112.67 1sy9 s ASP 20 Ca -0.08 -1.86 0.18 0.00 -0.52 0.00 0.00 52.55 50.27 1sy9 s ASP 20 Cb 0.06 -2.30 0.80 0.00 -1.46 0.00 0.00 42.92 40.02 1sy9 s ASP 20 CO 0.92 -0.98 1.80 0.11 0.52 0.00 0.00 175.17 177.55 1sy9 h LYS 21 N 8.78 0.00 -0.00 4.34 1.79 -1.78 -2.97 116.57 126.73 1sy9 h LYS 21 Ca -0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1sy9 h LYS 21 Cb 1.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 1sy9 h LYS 21 CO 1.02 0.35 -0.04 -0.25 -1.08 0.00 0.00 179.45 179.45 1sy9 n ASP 22 N -3.69 0.06 -1.95 0.86 8.00 -1.26 -4.89 116.55 113.69 1sy9 n ASP 22 Ca -0.01 0.24 -0.14 0.00 0.71 0.00 0.00 54.79 55.59 1sy9 n ASP 22 Cb 0.45 -0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 41.14 1sy9 n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sy9 n GLY 23 N 1.44 0.39 0.12 0.44 0.00 -1.12 -4.79 105.19 101.67 1sy9 n GLY 23 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.24 1sy9 n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sy9 n ASP 24 N -1.27 0.64 0.00 1.61 5.75 -1.26 -4.92 116.55 117.10 1sy9 n ASP 24 Ca -0.16 -0.52 0.00 0.00 -0.01 0.00 0.00 54.79 54.11 1sy9 n ASP 24 Cb 0.55 0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 1sy9 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sy9 n GLY 25 N 1.38 0.58 3.05 6.12 0.00 -1.26 -5.07 105.19 109.99 1sy9 n GLY 25 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 1sy9 n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sy9 s THR 26 N -2.17 0.01 -0.20 2.61 -4.23 -1.26 -4.23 115.64 106.17 1sy9 s THR 26 Ca 0.00 -0.10 -0.07 0.00 -1.18 0.00 0.00 61.69 60.34 1sy9 s THR 26 Cb 0.00 -0.26 -0.04 0.00 1.34 0.00 0.00 72.50 73.54 1sy9 s THR 26 CO 0.00 -0.05 0.06 -0.63 -0.54 0.00 0.00 174.62 173.46 1sy9 s ILE 27 N -0.12 4.67 -0.04 2.99 1.01 -1.17 -4.91 121.20 123.62 1sy9 s ILE 27 Ca -0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.53 1sy9 s ILE 27 Cb -0.02 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 1sy9 s ILE 27 CO 0.00 0.43 0.09 0.42 0.00 0.00 0.00 174.94 175.89 1sy9 s THR 28 N 0.64 4.92 0.47 2.92 -4.23 -1.26 -3.45 115.64 115.65 1sy9 s THR 28 Ca 0.03 -0.21 0.37 0.00 -1.18 0.00 0.00 61.69 60.70 1sy9 s THR 28 Cb -0.13 -3.20 0.56 0.00 1.34 0.00 0.00 72.50 71.07 1sy9 s THR 28 CO 0.02 0.45 1.53 0.35 -0.54 0.00 0.00 174.62 176.43 1sy9 n THR 29 N 1.50 -0.18 -0.11 3.99 -2.24 -1.26 0.11 114.28 116.09 1sy9 n THR 29 Ca -0.15 1.69 -0.09 0.00 -2.27 0.00 0.00 64.05 63.22 1sy9 n THR 29 Cb 0.53 -2.77 -0.01 0.00 -2.10 0.00 0.00 70.33 65.98 1sy9 n THR 29 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1sy9 h LYS 30 N 0.00 0.50 0.29 -0.78 1.57 -1.99 -2.32 116.57 113.84 1sy9 h LYS 30 Ca 0.88 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.59 1sy9 h LYS 30 Cb 3.06 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 35.28 1sy9 h LYS 30 CO -0.33 0.43 -0.17 0.93 -0.57 0.00 0.00 179.45 179.74 1sy9 h GLU 31 N 0.44 -0.42 -0.91 3.15 5.08 0.42 -2.82 114.58 119.53 1sy9 h GLU 31 Ca 0.12 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.60 1sy9 h GLU 31 Cb 0.08 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 1sy9 h GLU 31 CO -0.02 -0.28 0.59 1.25 -1.00 0.00 0.00 179.01 179.55 1sy9 h LEU 32 N -0.43 0.86 -2.00 1.33 7.12 -1.43 -1.09 115.31 119.66 1sy9 h LEU 32 Ca -0.03 0.02 0.17 0.00 0.13 0.00 0.00 57.88 58.17 1sy9 h LEU 32 Cb 0.36 -0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 40.30 1sy9 h LEU 32 CO 0.04 0.52 0.44 1.23 -0.13 0.00 0.00 178.44 180.53 1sy9 h GLY 33 N 0.96 0.00 1.18 3.75 0.00 -1.15 -0.51 103.07 107.30 1sy9 h GLY 33 Ca 0.41 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.58 1sy9 h GLY 33 CO -0.17 0.00 -0.42 -0.84 0.00 0.00 0.00 176.54 175.11 1sy9 h THR 34 N 0.00 1.28 0.47 4.70 2.02 -1.20 -1.66 112.91 118.52 1sy9 h THR 34 Ca 0.28 -1.60 -0.02 0.00 0.77 0.00 0.00 66.41 65.84 1sy9 h THR 34 Cb 1.15 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 1sy9 h THR 34 CO -0.00 0.53 -0.22 0.58 0.37 0.00 0.00 175.52 176.77 1sy9 h VAL 35 N 0.72 0.54 -0.09 3.16 2.07 -1.15 -1.98 116.25 119.51 1sy9 h VAL 35 Ca 0.05 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.49 1sy9 h VAL 35 Cb 1.01 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1sy9 h VAL 35 CO 0.10 0.02 0.07 0.24 0.02 0.00 0.00 177.57 178.02 1sy9 h MET 36 N -0.69 0.00 -1.01 1.57 2.86 -1.56 -0.49 114.93 115.62 1sy9 h MET 36 Ca -0.06 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1sy9 h MET 36 Cb 0.51 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.12 1sy9 h MET 36 CO 0.11 0.00 0.66 -0.09 1.06 0.00 0.00 176.91 178.65 1sy9 h ARG 37 N 0.00 1.29 0.00 1.72 2.43 -0.34 0.26 114.38 119.75 1sy9 h ARG 37 Ca 0.04 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1sy9 h ARG 37 Cb 0.18 -0.29 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1sy9 h ARG 37 CO -0.00 0.86 0.00 0.66 -1.51 0.00 0.00 179.97 179.97 1sy9 h SER 38 N 1.33 0.00 0.84 -3.80 4.64 -0.63 -2.80 113.55 113.13 1sy9 h SER 38 Ca 0.38 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.46 1sy9 h SER 38 Cb -0.10 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 61.97 1sy9 h SER 38 CO -0.10 0.00 -1.17 0.25 -0.87 0.00 0.00 176.83 174.94 1sy9 h LEU 39 N 0.00 0.09 0.00 5.97 5.85 -0.84 -3.47 115.31 122.91 1sy9 h LEU 39 Ca 0.00 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1sy9 h LEU 39 Cb 0.43 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1sy9 h LEU 39 CO 0.00 1.09 0.00 0.61 -0.34 0.00 0.00 178.44 179.80 1sy9 n GLY 40 N 1.43 0.70 3.86 3.75 0.00 -1.03 -5.12 105.19 108.77 1sy9 n GLY 40 Ca -0.05 -0.05 -0.07 0.00 0.00 0.00 0.00 46.02 45.86 1sy9 n GLY 40 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1sy9 s GLN 41 N 0.00 1.77 -0.13 1.61 -2.07 -1.12 -4.97 119.66 114.76 1sy9 s GLN 41 Ca 0.00 -0.98 -0.07 0.00 -1.82 0.00 0.00 55.36 52.49 1sy9 s GLN 41 Cb 0.00 0.60 -0.04 0.00 -1.09 0.00 0.00 33.01 32.48 1sy9 s GLN 41 CO 0.00 -0.81 0.11 1.21 -1.32 0.00 0.00 175.29 174.48 1sy9 s ASN 42 N -2.92 6.14 0.00 12.60 3.84 -1.26 -1.64 114.94 131.70 1sy9 s ASN 42 Ca 0.11 0.37 0.00 0.00 0.21 0.00 0.00 52.86 53.55 1sy9 s ASN 42 Cb -0.06 -1.97 0.00 0.00 -0.55 0.00 0.00 41.25 38.67 1sy9 s ASN 42 CO 0.07 0.37 0.00 -0.81 -2.79 0.00 0.00 177.10 173.93 1sy9 n PRO 43 N 2.27 2.06 -3.92 0.43 -0.04 -1.26 -4.97 135.00 129.56 1sy9 n PRO 43 Ca -0.19 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.16 1sy9 n PRO 43 Cb 0.54 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.88 1sy9 n PRO 43 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1sy9 s THR 44 N 0.00 0.05 0.60 0.52 -4.23 -1.26 -5.01 115.64 106.31 1sy9 s THR 44 Ca 0.00 -0.43 0.28 0.00 -1.18 0.00 0.00 61.69 60.36 1sy9 s THR 44 Cb 0.00 -0.13 0.37 0.00 1.34 0.00 0.00 72.50 74.08 1sy9 s THR 44 CO 0.00 -0.23 1.76 -0.33 -0.54 0.00 0.00 174.62 175.28 1sy9 h GLU 45 N 5.44 0.00 0.23 3.99 5.08 -1.97 0.70 114.58 128.06 1sy9 h GLU 45 Ca -0.28 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1sy9 h GLU 45 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1sy9 h GLU 45 CO 0.46 0.00 -0.11 0.00 -1.00 0.00 0.00 179.01 178.36 1sy9 h ALA 46 N 1.23 -0.30 -0.51 3.43 0.00 -2.00 -2.45 119.26 118.66 1sy9 h ALA 46 Ca 0.25 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1sy9 h ALA 46 Cb 1.50 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 1sy9 h ALA 46 CO -0.00 -0.40 -0.18 1.49 0.00 0.00 0.00 179.25 180.16 1sy9 h GLU 47 N -0.85 1.01 -0.84 0.00 4.81 -1.34 -2.69 114.58 114.69 1sy9 h GLU 47 Ca -0.03 -0.41 0.11 0.00 -0.13 0.00 0.00 59.36 58.89 1sy9 h GLU 47 Cb 0.51 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.79 1sy9 h GLU 47 CO 0.05 1.09 0.54 -0.07 -0.73 0.00 0.00 179.01 179.90 1sy9 h LEU 48 N 0.88 0.69 -0.81 1.64 3.38 0.24 -1.27 115.31 120.05 1sy9 h LEU 48 Ca 0.12 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1sy9 h LEU 48 Cb 0.76 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1sy9 h LEU 48 CO 0.06 0.39 0.34 -0.61 0.09 0.00 0.00 178.44 178.71 1sy9 h GLN 49 N 0.75 1.21 -0.76 1.13 4.15 -1.09 -2.82 115.11 117.67 1sy9 h GLN 49 Ca 0.39 -0.21 -0.06 0.00 0.77 0.00 0.00 58.65 59.55 1sy9 h GLN 49 Cb 0.50 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 1sy9 h GLN 49 CO -0.16 0.96 0.25 0.22 -1.93 0.00 0.00 178.83 178.18 1sy9 h ASP 50 N 1.18 1.10 -0.75 -0.69 1.82 -1.19 -2.05 116.42 115.83 1sy9 h ASP 50 Ca 0.27 -0.20 -0.02 0.00 -0.39 0.00 0.00 57.03 56.70 1sy9 h ASP 50 Cb 0.20 -0.29 -0.04 0.00 0.68 0.00 0.00 39.33 39.89 1sy9 h ASP 50 CO -0.02 1.01 0.41 0.24 -1.61 0.00 0.00 179.24 179.26 1sy9 h MET 51 N 1.13 1.04 -0.57 0.28 2.86 -1.27 -2.60 114.93 115.81 1sy9 h MET 51 Ca 0.25 -0.12 -0.11 0.00 -2.06 0.00 0.00 59.70 57.65 1sy9 h MET 51 Cb 0.29 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1sy9 h MET 51 CO -0.01 0.78 -0.08 0.82 1.06 0.00 0.00 176.91 179.47 1sy9 h ILE 52 N 1.03 1.27 -0.93 -1.22 1.08 -1.29 -3.10 117.51 114.36 1sy9 h ILE 52 Ca 0.26 -1.25 -0.01 0.00 -0.39 0.00 0.00 64.86 63.47 1sy9 h ILE 52 Cb 0.04 0.91 -0.04 0.00 -3.07 0.00 0.00 36.82 34.66 1sy9 h ILE 52 CO -0.04 0.45 0.53 0.78 -0.69 0.00 0.00 178.15 179.17 1sy9 h ASN 53 N 0.94 1.14 0.50 1.72 2.35 -1.01 0.81 115.58 122.04 1sy9 h ASN 53 Ca 0.15 -0.09 -0.10 0.00 -0.55 0.00 0.00 56.30 55.71 1sy9 h ASN 53 Cb 0.66 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 1sy9 h ASN 53 CO 0.05 0.90 -0.47 -0.08 -1.65 0.00 0.00 177.43 176.17 1sy9 h GLU 54 N 1.29 0.00 -0.00 0.81 4.81 -1.46 -3.07 114.58 116.95 1sy9 h GLU 54 Ca 0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 1sy9 h GLU 54 Cb -0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1sy9 h GLU 54 CO -0.06 0.47 -0.89 0.28 -0.73 0.00 0.00 179.01 178.08 1sy9 n VAL 55 N -3.94 0.00 -2.01 0.32 0.31 -0.96 -4.85 118.33 107.21 1sy9 n VAL 55 Ca -0.01 -0.05 -0.31 0.00 -0.01 0.00 0.00 64.34 63.96 1sy9 n VAL 55 Cb 0.50 1.05 -0.04 0.00 -0.91 0.00 0.00 33.84 34.44 1sy9 n VAL 55 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1sy9 s ASP 56 N -2.89 5.10 0.24 4.52 1.01 0.28 -4.79 116.67 120.14 1sy9 s ASP 56 Ca 0.10 -0.22 -0.05 0.00 0.71 0.00 0.00 52.55 53.10 1sy9 s ASP 56 Cb 0.16 -2.55 0.25 0.00 1.01 0.00 0.00 42.92 41.80 1sy9 s ASP 56 CO 0.81 -2.67 1.77 0.00 0.21 0.00 0.00 175.17 175.28 1sy9 h ALA 57 N 12.97 1.08 0.00 5.23 0.00 -1.88 -3.12 119.26 133.54 1sy9 h ALA 57 Ca -0.05 -0.23 -0.30 0.00 0.00 0.00 0.00 54.91 54.33 1sy9 h ALA 57 Cb 1.07 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 1sy9 h ALA 57 CO 1.20 0.61 -1.81 -0.40 0.00 0.00 0.00 179.25 178.85 1sy9 n ASP 58 N -4.25 0.74 0.00 0.00 5.75 -1.26 -4.99 116.55 112.54 1sy9 n ASP 58 Ca 0.05 0.35 0.00 0.00 -0.01 0.00 0.00 54.79 55.18 1sy9 n ASP 58 Cb 0.25 0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 1sy9 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sy9 n GLY 59 N 1.58 0.77 0.21 6.12 0.00 -1.18 -4.98 105.19 107.72 1sy9 n GLY 59 Ca -0.19 -0.45 -0.16 0.00 0.00 0.00 0.00 46.02 45.21 1sy9 n GLY 59 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1sy9 h ASN 60 N 0.00 0.87 0.00 1.61 -1.07 -1.94 -3.48 115.58 111.58 1sy9 h ASN 60 Ca 0.00 -0.58 0.00 0.00 0.07 0.00 0.00 56.30 55.79 1sy9 h ASN 60 Cb 0.02 -0.26 0.00 0.00 -2.07 0.00 0.00 38.32 36.01 1sy9 h ASN 60 CO 0.00 1.37 0.00 0.61 0.07 0.00 0.00 177.43 179.48 1sy9 n GLY 61 N 0.70 0.15 3.30 9.14 0.00 -1.26 -5.14 105.19 112.09 1sy9 n GLY 61 Ca -0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.79 1sy9 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sy9 s THR 62 N -1.10 0.56 -0.28 2.61 -4.23 -1.26 -4.84 115.64 107.11 1sy9 s THR 62 Ca 0.00 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.41 1sy9 s THR 62 Cb 0.00 -2.56 -0.03 0.00 1.34 0.00 0.00 72.50 71.25 1sy9 s THR 62 CO 0.00 -0.07 0.15 -0.63 -0.54 0.00 0.00 174.62 173.53 1sy9 s ILE 63 N -3.75 4.87 0.44 2.99 1.01 -1.22 -4.76 121.20 120.78 1sy9 s ILE 63 Ca 0.36 -0.07 0.07 0.00 0.00 0.00 0.00 60.65 61.01 1sy9 s ILE 63 Cb 0.08 -3.35 0.01 0.00 0.01 0.00 0.00 42.46 39.21 1sy9 s ILE 63 CO 0.12 0.23 0.61 -1.81 0.00 0.00 0.00 174.94 174.09 1sy9 s ASP 64 N 1.69 5.59 0.21 3.58 1.01 -1.26 -3.04 116.67 124.44 1sy9 s ASP 64 Ca 0.06 -0.35 -0.14 0.00 0.71 0.00 0.00 52.55 52.84 1sy9 s ASP 64 Cb -0.16 -0.70 0.23 0.00 1.01 0.00 0.00 42.92 43.30 1sy9 s ASP 64 CO 0.08 -0.83 1.63 0.15 0.21 0.00 0.00 175.17 176.41 1sy9 h PHE 65 N 0.54 -0.33 -0.27 4.23 3.57 -1.99 0.42 116.94 123.09 1sy9 h PHE 65 Ca -0.40 0.06 -0.10 0.00 3.53 0.00 0.00 57.97 61.06 1sy9 h PHE 65 Cb 1.28 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 40.25 1sy9 h PHE 65 CO 0.39 -0.27 -0.23 -1.00 -2.23 0.00 0.00 178.31 174.97 1sy9 h PRO 66 N -0.00 0.51 -0.38 6.41 0.13 -1.96 -2.71 132.00 134.00 1sy9 h PRO 66 Ca 0.30 -0.19 -0.16 0.00 -0.87 0.00 0.00 66.00 65.07 1sy9 h PRO 66 Cb 0.46 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 1sy9 h PRO 66 CO -0.64 0.71 -0.41 0.93 -0.23 0.00 0.00 178.00 178.37 1sy9 h GLU 67 N 0.46 0.94 -0.70 0.86 5.08 -1.55 -2.95 114.58 116.72 1sy9 h GLU 67 Ca 0.07 -0.51 -0.03 0.00 -1.00 0.00 0.00 59.36 57.89 1sy9 h GLU 67 Cb 0.66 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 1sy9 h GLU 67 CO 0.05 1.16 0.31 0.35 -1.00 0.00 0.00 179.01 179.88 1sy9 h PHE 68 N 0.76 1.03 -0.45 4.33 3.04 -0.82 -2.64 116.94 122.19 1sy9 h PHE 68 Ca 0.06 -0.06 -0.11 0.00 3.98 0.00 0.00 57.97 61.83 1sy9 h PHE 68 Cb 1.00 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 39.19 1sy9 h PHE 68 CO 0.06 0.78 -0.16 -0.07 -2.02 0.00 0.00 178.31 176.91 1sy9 h LEU 69 N 0.98 0.93 -0.81 0.59 4.07 -1.48 -2.76 115.31 116.82 1sy9 h LEU 69 Ca 0.24 -0.38 -0.04 0.00 0.08 0.00 0.00 57.88 57.77 1sy9 h LEU 69 Cb 0.16 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 41.61 1sy9 h LEU 69 CO -0.02 1.10 0.33 0.71 -1.08 0.00 0.00 178.44 179.48 1sy9 h THR 70 N 0.75 1.26 -0.42 0.22 1.35 -1.42 -2.67 112.91 111.99 1sy9 h THR 70 Ca 0.11 -0.82 -0.13 0.00 -0.55 0.00 0.00 66.41 65.03 1sy9 h THR 70 Cb 0.72 0.28 -0.01 0.00 -1.73 0.00 0.00 68.15 67.41 1sy9 h THR 70 CO 0.05 0.34 -0.23 -0.03 -0.25 0.00 0.00 175.52 175.40 1sy9 h MET 71 N 1.18 0.89 -0.33 4.72 1.85 -1.41 -2.41 114.93 119.42 1sy9 h MET 71 Ca 0.27 -0.40 -0.11 0.00 -0.61 0.00 0.00 59.70 58.85 1sy9 h MET 71 Cb 0.20 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.21 1sy9 h MET 71 CO -0.02 1.05 -0.22 1.98 -0.40 0.00 0.00 176.91 179.30 1sy9 h MET 72 N 0.71 0.73 -0.10 0.39 -1.53 -1.40 -1.89 114.93 111.84 1sy9 h MET 72 Ca 0.09 -0.35 -0.18 0.00 -3.44 0.00 0.00 59.70 55.82 1sy9 h MET 72 Cb 0.80 -0.01 -0.00 0.00 -0.55 0.00 0.00 31.60 31.84 1sy9 h MET 72 CO 0.07 0.96 -0.70 0.00 0.14 0.00 0.00 176.91 177.38 1sy9 h ALA 73 N 0.76 0.60 0.06 0.39 0.00 -1.53 -2.87 119.26 116.67 1sy9 h ALA 73 Ca 0.07 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1sy9 h ALA 73 Cb 0.77 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1sy9 h ALA 73 CO 0.06 0.74 -0.03 -0.09 0.00 0.00 0.00 179.25 179.93 1sy9 h ARG 74 N 0.32 -0.07 -0.91 0.00 1.12 -1.47 -3.31 114.38 110.06 1sy9 h ARG 74 Ca -0.02 0.01 0.01 0.00 -1.11 0.00 0.00 59.98 58.86 1sy9 h ARG 74 Cb 1.27 0.02 -0.05 0.00 -0.01 0.00 0.00 29.97 31.20 1sy9 h ARG 74 CO 0.12 0.39 0.60 0.87 -3.11 0.00 0.00 179.97 178.85 1sy9 h LYS 75 N -0.96 1.19 -0.46 0.20 1.57 -1.48 -2.76 116.57 113.87 1sy9 h LYS 75 Ca -0.01 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1sy9 h LYS 75 Cb 0.50 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1sy9 h LYS 75 CO 0.01 0.79 0.30 0.00 -0.57 0.00 0.00 179.45 179.98 1sy9 h MET 76 N 1.23 0.59 -0.01 3.15 -0.00 -1.66 -2.97 114.93 115.26 1sy9 h MET 76 Ca 0.33 -0.04 -0.00 0.00 -0.00 0.00 0.00 59.70 60.00 1sy9 h MET 76 Cb -0.14 -0.13 -0.00 0.00 -0.00 0.00 0.00 31.60 31.33 1sy9 h MET 76 CO -0.07 0.39 0.00 -0.22 -0.00 0.00 0.00 176.91 177.01 1sy9 h LYS 77 N 0.61 0.01 0.00 -0.10 3.64 -1.57 -2.56 116.57 116.60 1sy9 h LYS 77 Ca 0.17 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1sy9 h LYS 77 Cb -0.06 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1sy9 h LYS 77 CO -0.04 0.17 0.00 -0.40 -2.27 0.00 0.00 179.45 176.91 1sy9 n ASP 78 N -5.01 0.04 -3.16 4.20 5.68 -1.15 -4.72 116.55 112.44 1sy9 n ASP 78 Ca -0.07 0.51 -0.13 0.00 -0.50 0.00 0.00 54.79 54.59 1sy9 n ASP 78 Cb 0.10 -0.52 0.08 0.00 -1.14 0.00 0.00 41.12 39.65 1sy9 n ASP 78 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1sy9 n THR 79 N -1.55 0.00 -4.58 2.12 -1.04 -0.96 -5.10 114.28 103.17 1sy9 n THR 79 Ca 0.03 -0.67 -0.22 0.00 -2.04 0.00 0.00 64.05 61.16 1sy9 n THR 79 Cb 0.17 -1.42 -0.15 0.00 -1.82 0.00 0.00 70.33 67.10 1sy9 n THR 79 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1sy9 s ASP 80 N -3.29 1.54 0.54 8.00 1.01 -1.26 -5.01 116.67 118.19 1sy9 s ASP 80 Ca 0.36 -0.24 0.24 0.00 0.71 0.00 0.00 52.55 53.62 1sy9 s ASP 80 Cb -0.01 -0.25 1.53 0.00 1.01 0.00 0.00 42.92 45.19 1sy9 s ASP 80 CO 0.25 0.14 2.17 0.77 0.21 0.00 0.00 175.17 178.71 1sy9 h SER 81 N 5.99 0.00 -0.71 0.27 4.64 -1.97 -1.20 113.55 120.58 1sy9 h SER 81 Ca -0.33 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.99 1sy9 h SER 81 Cb 1.17 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.22 1sy9 h SER 81 CO 0.49 0.04 0.47 -0.33 -0.87 0.00 0.00 176.83 176.62 1sy9 h GLU 82 N 0.00 0.93 -0.37 4.77 5.08 -2.00 -1.82 114.58 121.17 1sy9 h GLU 82 Ca -0.00 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.14 1sy9 h GLU 82 Cb 0.09 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 1sy9 h GLU 82 CO 0.01 0.62 -0.41 0.93 -1.00 0.00 0.00 179.01 179.15 1sy9 h GLU 83 N 0.96 0.94 -0.85 2.33 5.08 -1.64 -2.87 114.58 118.53 1sy9 h GLU 83 Ca 0.26 -0.51 -0.03 0.00 -1.00 0.00 0.00 59.36 58.07 1sy9 h GLU 83 Cb -0.11 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 1sy9 h GLU 83 CO -0.06 1.16 0.39 0.93 -1.00 0.00 0.00 179.01 180.44 1sy9 h GLU 84 N 0.76 1.23 -0.02 2.33 5.08 -1.26 -2.65 114.58 120.05 1sy9 h GLU 84 Ca 0.05 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1sy9 h GLU 84 Cb 1.01 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 1sy9 h GLU 84 CO 0.10 0.95 0.00 0.82 -1.00 0.00 0.00 179.01 179.88 1sy9 h ILE 85 N 1.21 1.20 -0.76 3.13 2.04 -1.31 -2.08 117.51 120.95 1sy9 h ILE 85 Ca 0.29 -0.61 0.05 0.00 1.00 0.00 0.00 64.86 65.59 1sy9 h ILE 85 Cb 0.14 1.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.75 1sy9 h ILE 85 CO -0.03 0.16 0.46 0.03 0.00 0.00 0.00 178.15 178.77 1sy9 h ARG 86 N -0.22 0.85 -0.36 2.37 3.08 -1.41 -2.38 114.38 116.31 1sy9 h ARG 86 Ca 0.01 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 59.84 1sy9 h ARG 86 Cb 0.26 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1sy9 h ARG 86 CO 0.00 0.56 -0.41 0.93 -1.07 0.00 0.00 179.97 179.98 1sy9 h GLU 87 N 0.87 0.91 -0.19 0.04 5.08 -1.46 -2.85 114.58 116.99 1sy9 h GLU 87 Ca 0.32 -0.49 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1sy9 h GLU 87 Cb 0.10 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1sy9 h GLU 87 CO -0.14 1.14 0.04 0.00 -1.00 0.00 0.00 179.01 179.05 1sy9 h ALA 88 N 0.79 0.25 -0.54 3.43 0.00 -1.07 -2.49 119.26 119.63 1sy9 h ALA 88 Ca 0.05 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1sy9 h ALA 88 Cb 1.00 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1sy9 h ALA 88 CO 0.10 -0.10 -0.11 0.35 0.00 0.00 0.00 179.25 179.49 1sy9 h PHE 89 N 0.11 1.15 -0.94 0.00 3.04 -1.52 -2.82 116.94 115.97 1sy9 h PHE 89 Ca 0.06 -0.24 -0.01 0.00 3.98 0.00 0.00 57.97 61.76 1sy9 h PHE 89 Cb 0.28 -0.28 -0.05 0.00 2.56 0.00 0.00 35.95 38.46 1sy9 h PHE 89 CO 0.01 1.07 0.55 -0.09 -2.02 0.00 0.00 178.31 177.83 1sy9 h ARG 90 N 0.91 1.28 -0.29 1.11 2.43 -1.46 -0.32 114.38 118.04 1sy9 h ARG 90 Ca 0.14 -0.12 -0.19 0.00 -0.81 0.00 0.00 59.98 59.00 1sy9 h ARG 90 Cb 0.68 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1sy9 h ARG 90 CO 0.05 0.90 -0.55 -0.39 -1.51 0.00 0.00 179.97 178.48 1sy9 h VAL 91 N 1.30 1.27 -0.22 0.20 -1.51 -1.38 -3.27 116.25 112.64 1sy9 h VAL 91 Ca 0.34 -1.73 -0.21 0.00 -1.23 0.00 0.00 66.70 63.87 1sy9 h VAL 91 Cb -0.04 1.63 0.01 0.00 -2.13 0.00 0.00 31.29 30.75 1sy9 h VAL 91 CO -0.06 0.56 -0.67 -0.26 -1.23 0.00 0.00 177.57 175.92 1sy9 h PHE 92 N 0.67 1.10 -0.38 5.19 0.04 -1.31 -3.34 116.94 118.92 1sy9 h PHE 92 Ca 0.01 -0.44 -0.72 0.00 2.80 0.00 0.00 57.97 59.62 1sy9 h PHE 92 Cb 1.16 -0.19 -0.06 0.00 2.20 0.00 0.00 35.95 39.05 1sy9 h PHE 92 CO 0.07 1.28 2.91 -3.47 -0.60 0.00 0.00 178.31 178.50 1sy9 n ASP 93 N -3.97 4.73 -0.27 2.17 2.03 -0.15 -4.72 116.55 116.37 1sy9 n ASP 93 Ca -0.06 -2.89 -0.05 0.00 0.52 0.00 0.00 54.79 52.31 1sy9 n ASP 93 Cb 0.69 -1.60 0.06 0.00 -0.72 0.00 0.00 41.12 39.56 1sy9 n ASP 93 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1sy9 h LYS 94 N 5.80 0.97 0.00 -0.67 1.57 -1.75 -1.75 116.57 120.74 1sy9 h LYS 94 Ca 0.56 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 59.21 1sy9 h LYS 94 Cb 0.59 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1sy9 h LYS 94 CO 1.80 0.64 -0.32 0.38 -0.57 0.00 0.00 179.45 181.39 1sy9 h ASP 95 N 1.00 0.00 -0.84 0.86 2.03 -1.94 -3.47 116.42 114.06 1sy9 h ASP 95 Ca 0.27 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 56.38 1sy9 h ASP 95 Cb -0.12 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.34 1sy9 h ASP 95 CO -0.06 0.32 -0.20 0.61 -1.03 0.00 0.00 179.24 178.88 1sy9 n GLY 96 N 0.53 0.58 0.20 7.15 0.00 -0.66 -4.89 105.19 108.09 1sy9 n GLY 96 Ca 0.01 -0.57 0.14 0.00 0.00 0.00 0.00 46.02 45.61 1sy9 n GLY 96 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1sy9 h ASN 97 N 0.00 0.00 0.00 1.61 -1.07 -1.91 -3.46 115.58 110.76 1sy9 h ASN 97 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.17 1sy9 h ASN 97 Cb 0.86 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.11 1sy9 h ASN 97 CO 0.27 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.38 1sy9 n GLY 98 N -0.25 2.45 3.17 9.14 0.00 -1.26 -5.07 105.19 113.37 1sy9 n GLY 98 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1sy9 n GLY 98 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1sy9 s TYR 99 N -2.22 0.14 -0.22 1.61 1.13 -1.26 -3.19 117.35 113.35 1sy9 s TYR 99 Ca 0.00 -0.46 -0.21 0.00 -1.41 0.00 0.00 57.07 54.99 1sy9 s TYR 99 Cb 0.00 -0.08 -0.02 0.00 -1.10 0.00 0.00 41.96 40.76 1sy9 s TYR 99 CO 0.00 -0.45 0.64 0.42 -2.51 0.00 0.00 175.55 173.65 1sy9 s ILE 100 N -3.06 5.00 0.81 -3.49 1.01 -1.08 -4.93 121.20 115.45 1sy9 s ILE 100 Ca -0.01 1.19 -0.12 0.00 0.00 0.00 0.00 60.65 61.71 1sy9 s ILE 100 Cb 0.01 -3.95 0.09 0.00 0.01 0.00 0.00 42.46 38.62 1sy9 s ILE 100 CO -0.07 0.07 1.17 -0.44 0.00 0.00 0.00 174.94 175.67 1sy9 s SER 101 N 1.30 4.43 0.11 3.58 0.01 -1.26 -4.06 113.70 117.82 1sy9 s SER 101 Ca 0.28 0.69 -0.19 0.00 1.31 0.00 0.00 55.95 58.04 1sy9 s SER 101 Cb -0.16 -1.17 -0.07 0.00 0.21 0.00 0.00 66.02 64.84 1sy9 s SER 101 CO 0.10 -1.93 1.70 0.00 0.41 0.00 0.00 173.24 173.51 1sy9 h ALA 102 N -1.04 0.28 -0.80 1.44 0.00 -1.97 -2.46 119.26 114.71 1sy9 h ALA 102 Ca -0.46 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.40 1sy9 h ALA 102 Cb 1.32 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1sy9 h ALA 102 CO 0.63 -0.18 0.53 0.00 0.00 0.00 0.00 179.25 180.23 1sy9 h ALA 103 N 1.00 1.43 -0.94 0.00 0.00 -2.01 -2.27 119.26 116.47 1sy9 h ALA 103 Ca 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1sy9 h ALA 103 Cb 0.08 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 1sy9 h ALA 103 CO -0.01 0.53 0.55 0.93 0.00 0.00 0.00 179.25 181.25 1sy9 h GLU 104 N 1.09 1.28 -0.30 0.00 5.08 -1.82 -2.74 114.58 117.18 1sy9 h GLU 104 Ca 0.29 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1sy9 h GLU 104 Cb -0.13 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 28.84 1sy9 h GLU 104 CO -0.06 0.90 0.19 1.25 -1.00 0.00 0.00 179.01 180.29 1sy9 h LEU 105 N 1.30 0.35 -1.51 1.33 6.46 -1.03 -2.80 115.31 119.40 1sy9 h LEU 105 Ca 0.33 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 58.06 1sy9 h LEU 105 Cb -0.04 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 39.78 1sy9 h LEU 105 CO -0.06 0.28 0.33 0.03 -0.62 0.00 0.00 178.44 178.40 1sy9 h ARG 106 N 0.39 0.65 -0.81 1.25 3.08 -1.36 -2.54 114.38 115.04 1sy9 h ARG 106 Ca 0.11 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.13 1sy9 h ARG 106 Cb -0.01 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 29.85 1sy9 h ARG 106 CO -0.02 0.43 0.54 1.25 -1.07 0.00 0.00 179.97 181.10 1sy9 h HIS 107 N 0.67 1.02 0.05 3.04 2.76 -1.23 -2.46 115.15 119.01 1sy9 h HIS 107 Ca 0.18 0.02 -0.26 0.00 -2.20 0.00 0.00 60.37 58.12 1sy9 h HIS 107 Cb -0.07 -0.35 0.01 0.00 1.55 0.00 0.00 27.41 28.55 1sy9 h HIS 107 CO 0.00 0.64 -1.08 0.28 -1.30 0.00 0.00 177.93 176.47 1sy9 h VAL 108 N 1.10 1.38 -0.00 5.26 2.07 -1.53 -2.55 116.25 121.98 1sy9 h VAL 108 Ca 0.30 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 65.28 1sy9 h VAL 108 Cb -0.13 2.57 -0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1sy9 h VAL 108 CO -0.07 0.76 0.00 0.24 0.02 0.00 0.00 177.57 178.53 1sy9 h MET 109 N 0.23 0.00 -0.35 1.57 2.07 -1.29 0.24 114.93 117.41 1sy9 h MET 109 Ca -0.12 -0.00 -0.07 0.00 -2.07 0.00 0.00 59.70 57.44 1sy9 h MET 109 Cb 1.74 -0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 31.46 1sy9 h MET 109 CO 0.19 0.00 -0.07 1.15 1.07 0.00 0.00 176.91 179.26 1sy9 h THR 110 N 0.00 1.27 0.00 2.22 2.02 -1.55 -2.48 112.91 114.39 1sy9 h THR 110 Ca 0.00 -1.11 -0.02 0.00 0.77 0.00 0.00 66.41 66.05 1sy9 h THR 110 Cb 0.00 1.28 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1sy9 h THR 110 CO -0.00 0.37 -0.07 0.78 0.37 0.00 0.00 175.52 176.96 1sy9 h ASN 111 N 0.46 0.00 0.48 4.18 2.35 -1.25 -1.11 115.58 120.68 1sy9 h ASN 111 Ca 0.09 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.73 1sy9 h ASN 111 Cb 0.56 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 1sy9 h ASN 111 CO 0.03 0.07 -0.50 -0.07 -1.65 0.00 0.00 177.43 175.32 1sy9 h LEU 112 N 0.00 0.03 0.00 1.61 3.38 -0.08 -3.47 115.31 116.78 1sy9 h LEU 112 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1sy9 h LEU 112 Cb 0.15 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1sy9 h LEU 112 CO 0.01 0.52 0.00 0.61 0.09 0.00 0.00 178.44 179.67 1sy9 n GLY 113 N -0.08 1.69 3.28 0.83 0.00 -0.42 -4.99 105.19 105.50 1sy9 n GLY 113 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1sy9 n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sy9 s GLU 114 N -0.09 2.26 -0.31 1.61 2.02 -1.06 -5.05 118.70 118.09 1sy9 s GLU 114 Ca 0.00 -0.90 -0.12 0.00 0.02 0.00 0.00 54.97 53.97 1sy9 s GLU 114 Cb 0.00 -2.05 -0.03 0.00 0.10 0.00 0.00 34.13 32.15 1sy9 s GLU 114 CO 0.00 0.46 0.22 0.15 0.02 0.00 0.00 175.26 176.11 1sy9 s LYS 115 N -0.38 3.73 0.12 1.61 1.02 -1.26 -3.99 119.74 120.59 1sy9 s LYS 115 Ca 0.03 -0.47 0.05 0.00 0.02 0.00 0.00 55.97 55.60 1sy9 s LYS 115 Cb -0.12 -3.73 -0.04 0.00 -0.52 0.00 0.00 37.83 33.42 1sy9 s LYS 115 CO 0.01 -0.31 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.51 1sy9 s LEU 116 N 1.75 2.45 0.68 3.17 1.43 -1.26 -5.14 118.68 121.76 1sy9 s LEU 116 Ca 0.07 -0.89 -0.09 0.00 -1.03 0.00 0.00 54.13 52.19 1sy9 s LEU 116 Cb -0.17 -0.40 0.03 0.00 0.03 0.00 0.00 46.19 45.67 1sy9 s LEU 116 CO 0.11 -0.25 1.04 -0.89 0.23 0.00 0.00 176.35 176.59 1sy9 s THR 117 N -2.67 3.24 0.45 5.49 2.01 -1.26 -4.93 115.64 117.98 1sy9 s THR 117 Ca 0.11 0.20 0.17 0.00 0.31 0.00 0.00 61.69 62.48 1sy9 s THR 117 Cb -0.02 -3.36 0.21 0.00 0.01 0.00 0.00 72.50 69.34 1sy9 s THR 117 CO 0.01 -0.44 2.03 0.44 -0.69 0.00 0.00 174.62 175.97 1sy9 h ASP 118 N -0.55 0.00 0.15 3.53 3.32 -2.01 -1.18 116.42 119.69 1sy9 h ASP 118 Ca -0.45 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.50 1sy9 h ASP 118 Cb 1.27 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.81 1sy9 h ASP 118 CO 0.63 0.15 -0.35 -0.33 -1.72 0.00 0.00 179.24 177.62 1sy9 h GLU 119 N 0.00 0.29 -0.23 3.56 5.08 -2.00 -2.07 114.58 119.21 1sy9 h GLU 119 Ca -0.00 -0.12 -0.12 0.00 -1.00 0.00 0.00 59.36 58.12 1sy9 h GLU 119 Cb 0.29 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1sy9 h GLU 119 CO 0.02 0.61 -0.35 0.93 -1.00 0.00 0.00 179.01 179.22 1sy9 h GLU 120 N 0.25 0.50 -0.31 2.33 5.08 -1.58 -2.57 114.58 118.28 1sy9 h GLU 120 Ca 0.03 -0.23 -0.15 0.00 -1.00 0.00 0.00 59.36 58.01 1sy9 h GLU 120 Cb 0.75 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1sy9 h GLU 120 CO 0.06 0.78 -0.42 0.28 -1.00 0.00 0.00 179.01 178.71 1sy9 h VAL 121 N 0.43 1.28 -0.67 3.13 2.07 -1.17 -3.08 116.25 118.24 1sy9 h VAL 121 Ca 0.05 -1.60 0.01 0.00 0.82 0.00 0.00 66.70 65.97 1sy9 h VAL 121 Cb 0.81 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 1sy9 h VAL 121 CO 0.07 0.52 0.45 -0.78 0.02 0.00 0.00 177.57 177.84 1sy9 h ASP 122 N 0.63 0.77 -0.99 0.57 1.82 -1.09 -2.21 116.42 115.93 1sy9 h ASP 122 Ca 0.05 -0.02 0.01 0.00 -0.39 0.00 0.00 57.03 56.68 1sy9 h ASP 122 Cb 0.99 -0.19 -0.05 0.00 0.68 0.00 0.00 39.33 40.75 1sy9 h ASP 122 CO 0.09 0.56 0.66 -0.08 -1.61 0.00 0.00 179.24 178.86 1sy9 h GLU 123 N 0.91 1.30 -0.86 0.28 4.81 -1.40 -1.22 114.58 118.40 1sy9 h GLU 123 Ca 0.25 -0.08 0.13 0.00 -0.13 0.00 0.00 59.36 59.53 1sy9 h GLU 123 Cb -0.11 -0.29 -0.07 0.00 0.63 0.00 0.00 28.75 28.92 1sy9 h GLU 123 CO -0.05 0.86 0.56 0.52 -0.73 0.00 0.00 179.01 180.16 1sy9 h MET 124 N 1.34 0.66 -0.44 1.92 2.86 -1.32 0.12 114.93 120.07 1sy9 h MET 124 Ca 0.37 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.85 1sy9 h MET 124 Cb -0.15 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.35 1sy9 h MET 124 CO -0.08 0.44 -0.20 0.82 1.06 0.00 0.00 176.91 178.94 1sy9 h ILE 125 N 0.68 1.27 -1.01 -1.22 2.04 -1.13 -3.07 117.51 115.07 1sy9 h ILE 125 Ca 0.42 -1.33 0.01 0.00 1.00 0.00 0.00 64.86 64.96 1sy9 h ILE 125 Cb 0.66 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.84 1sy9 h ILE 125 CO -0.18 0.45 0.66 -0.09 0.00 0.00 0.00 178.15 179.00 1sy9 h ARG 126 N 0.76 1.33 -0.76 2.37 2.43 -0.34 0.63 114.38 120.79 1sy9 h ARG 126 Ca 0.11 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 1sy9 h ARG 126 Cb 0.74 -0.30 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 1sy9 h ARG 126 CO 0.06 0.88 0.27 0.93 -1.51 0.00 0.00 179.97 180.59 1sy9 h GLU 127 N 1.36 1.17 -0.01 0.20 5.08 -1.35 -3.10 114.58 117.93 1sy9 h GLU 127 Ca 0.37 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1sy9 h GLU 127 Cb -0.16 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 28.92 1sy9 h GLU 127 CO -0.08 0.97 -0.74 0.00 -1.00 0.00 0.00 179.01 178.16 1sy9 n ALA 128 N -2.44 4.16 -3.37 3.43 0.00 -1.01 -4.69 120.51 116.58 1sy9 n ALA 128 Ca 0.07 -0.59 -0.42 0.00 0.00 0.00 0.00 53.44 52.49 1sy9 n ALA 128 Cb 0.21 -0.81 -0.02 0.00 0.00 0.00 0.00 19.45 18.83 1sy9 n ALA 128 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1sy9 n ASP 129 N -0.89 5.26 -0.19 0.00 2.03 0.22 -4.84 116.55 118.14 1sy9 n ASP 129 Ca 0.06 -3.13 -0.10 0.00 0.52 0.00 0.00 54.79 52.14 1sy9 n ASP 129 Cb 0.38 -1.26 0.02 0.00 -0.72 0.00 0.00 41.12 39.54 1sy9 n ASP 129 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1sy9 h ILE 130 N 3.70 1.27 -0.99 5.18 2.04 -1.84 -3.08 117.51 123.79 1sy9 h ILE 130 Ca 0.18 -1.25 0.03 0.00 1.00 0.00 0.00 64.86 64.82 1sy9 h ILE 130 Cb 0.81 0.92 -0.06 0.00 -0.74 0.00 0.00 36.82 37.75 1sy9 h ILE 130 CO 1.02 0.45 0.65 -2.24 0.00 0.00 0.00 178.15 178.02 1sy9 h ASP 131 N 0.94 1.09 0.00 1.72 2.03 -1.96 -3.47 116.42 116.77 1sy9 h ASP 131 Ca 0.15 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.43 1sy9 h ASP 131 Cb 0.66 -0.26 0.00 0.00 -0.83 0.00 0.00 39.33 38.90 1sy9 h ASP 131 CO 0.05 0.76 0.00 0.61 -1.03 0.00 0.00 179.24 179.62 1sy9 n GLY 132 N -1.38 0.96 0.14 7.15 0.00 -1.16 -4.96 105.19 105.94 1sy9 n GLY 132 Ca 0.13 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.26 1sy9 n GLY 132 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1sy9 h ASP 133 N 0.00 0.00 0.00 1.61 2.03 -1.90 -3.47 116.42 114.69 1sy9 h ASP 133 Ca 0.00 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 1sy9 h ASP 133 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1sy9 h ASP 133 CO 0.00 0.01 0.00 0.61 -1.03 0.00 0.00 179.24 178.83 1sy9 n GLY 134 N 1.24 0.75 2.98 7.15 0.00 -1.26 -5.05 105.19 110.99 1sy9 n GLY 134 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 1sy9 n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sy9 s GLN 135 N -0.48 1.03 -0.36 1.61 -0.21 -1.26 -4.82 119.66 115.16 1sy9 s GLN 135 Ca 0.00 -0.27 -0.20 0.00 0.02 0.00 0.00 55.36 54.91 1sy9 s GLN 135 Cb 0.00 -0.95 0.00 0.00 1.00 0.00 0.00 33.01 33.06 1sy9 s GLN 135 CO 0.00 0.05 0.63 0.08 -2.12 0.00 0.00 175.29 173.93 1sy9 s VAL 136 N 0.45 4.89 0.71 1.09 1.01 -1.26 -4.94 120.40 122.35 1sy9 s VAL 136 Ca -0.07 0.57 -0.06 0.00 0.00 0.00 0.00 61.98 62.43 1sy9 s VAL 136 Cb -0.11 -4.08 0.15 0.00 0.00 0.00 0.00 36.38 32.34 1sy9 s VAL 136 CO 0.01 -0.32 0.97 0.59 0.00 0.00 0.00 175.10 176.35 1sy9 n ASN 137 N 6.04 0.75 -0.21 3.32 3.02 -1.26 -2.64 115.26 124.29 1sy9 n ASN 137 Ca -0.01 -1.76 -0.08 0.00 -0.03 0.00 0.00 54.58 52.69 1sy9 n ASN 137 Cb 0.49 -0.68 0.03 0.00 -0.61 0.00 0.00 39.78 39.00 1sy9 n ASN 137 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1sy9 h TYR 138 N -0.99 1.04 -0.67 3.10 5.03 -1.96 -2.39 116.97 120.13 1sy9 h TYR 138 Ca -0.32 -0.14 -0.01 0.00 2.58 0.00 0.00 58.73 60.84 1sy9 h TYR 138 Cb 1.04 -0.29 -0.03 0.00 1.55 0.00 0.00 36.73 39.00 1sy9 h TYR 138 CO 0.00 0.89 0.36 0.93 -1.32 0.00 0.00 178.16 179.03 1sy9 h GLU 139 N 0.89 0.94 -0.70 1.82 4.39 -1.94 -2.53 114.58 117.45 1sy9 h GLU 139 Ca 0.18 -0.11 -0.06 0.00 0.34 0.00 0.00 59.36 59.71 1sy9 h GLU 139 Cb 0.40 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 1sy9 h GLU 139 CO 0.01 0.71 0.19 0.93 -1.16 0.00 0.00 179.01 179.69 1sy9 h GLU 140 N 0.92 1.10 -0.32 2.33 5.08 -1.89 -2.87 114.58 118.92 1sy9 h GLU 140 Ca 0.24 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1sy9 h GLU 140 Cb 0.05 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1sy9 h GLU 140 CO -0.04 0.96 0.21 0.35 -1.00 0.00 0.00 179.01 179.49 1sy9 h PHE 141 N 1.05 0.40 -0.68 4.33 3.04 -1.03 -2.56 116.94 121.50 1sy9 h PHE 141 Ca 0.23 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 62.10 1sy9 h PHE 141 Cb 0.33 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.68 1sy9 h PHE 141 CO 0.03 0.26 0.12 0.28 -2.02 0.00 0.00 178.31 176.97 1sy9 h VAL 142 N 0.43 1.26 -0.94 1.41 2.07 -1.38 -2.94 116.25 116.17 1sy9 h VAL 142 Ca 0.12 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 1sy9 h VAL 142 Cb -0.05 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 1sy9 h VAL 142 CO -0.03 0.39 0.56 -0.61 0.02 0.00 0.00 177.57 177.90 1sy9 h GLN 143 N 1.05 1.29 -0.53 1.57 4.15 -1.33 -1.85 115.11 119.47 1sy9 h GLN 143 Ca 0.21 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 1sy9 h GLN 143 Cb 0.44 -0.27 -0.03 0.00 0.21 0.00 0.00 27.48 27.84 1sy9 h GLN 143 CO 0.01 0.91 0.33 0.52 -1.93 0.00 0.00 178.83 178.67 1sy9 h MET 144 N 1.30 0.71 -0.17 1.69 2.86 -1.28 -1.88 114.93 118.16 1sy9 h MET 144 Ca 0.34 -0.06 -0.22 0.00 -2.06 0.00 0.00 59.70 57.70 1sy9 h MET 144 Cb -0.04 -0.15 0.01 0.00 0.06 0.00 0.00 31.60 31.48 1sy9 h MET 144 CO -0.06 0.50 -0.76 0.52 1.06 0.00 0.00 176.91 178.17 1sy9 h MET 145 N 0.71 0.81 0.00 1.72 2.86 -1.43 -3.11 114.93 116.50 1sy9 h MET 145 Ca 0.19 -0.65 0.00 0.00 -2.06 0.00 0.00 59.70 57.18 1sy9 h MET 145 Cb -0.04 0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.75 1sy9 h MET 145 CO -0.04 1.26 0.00 -2.37 1.06 0.00 0.00 176.91 176.82 1sy9 n THR 146 N -3.94 0.40 -3.26 2.22 5.66 -0.71 -4.68 114.28 109.96 1sy9 n THR 146 Ca -0.07 0.10 -0.40 0.00 -3.05 0.00 0.00 64.05 60.63 1sy9 n THR 146 Cb 0.74 -0.72 -0.08 0.00 -1.55 0.00 0.00 70.33 68.72 1sy9 n THR 146 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1sy9 s ALA 147 N -2.82 3.59 -1.74 1.79 0.00 -0.72 -5.07 121.76 116.79 1sy9 s ALA 147 Ca 0.15 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1sy9 s ALA 147 Cb 0.15 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.41 1sy9 s ALA 147 CO 0.38 -0.73 0.43 0.36 0.00 0.00 0.00 175.76 176.21