#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 5.21 -0.12 0.00 8.00 -1.26 -4.81 116.55 123.57 1sy9 n ASP 2 Ca 0.00 -2.99 -0.08 0.00 0.71 0.00 0.00 54.79 52.43 1sy9 n ASP 2 Cb 0.00 -1.57 -0.00 0.00 -0.02 0.00 0.00 41.12 39.53 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 7.01 0.50 -7.65 -1.24 4.20 -2.13 -3.43 115.11 112.36 1sy9 h GLN 3 Ca 0.33 -0.03 -0.45 0.00 0.06 0.00 0.00 58.65 58.55 1sy9 h GLN 3 Cb 0.85 -0.11 0.13 0.00 0.30 0.00 0.00 27.48 28.65 1sy9 h GLN 3 CO 1.28 0.33 0.37 -0.51 -0.67 0.00 0.00 178.83 179.63 1sy9 s LEU 4 N -10.16 2.71 -0.17 1.46 1.43 -1.26 -5.09 118.68 107.61 1sy9 s LEU 4 Ca -0.13 0.32 -0.04 0.00 -1.03 0.00 0.00 54.13 53.25 1sy9 s LEU 4 Cb 0.10 -2.55 0.08 0.00 0.03 0.00 0.00 46.19 43.85 1sy9 s LEU 4 CO 0.72 -2.35 0.23 0.42 0.23 0.00 0.00 176.35 175.61 1sy9 s THR 5 N -3.68 -0.36 -1.06 5.49 -4.23 -1.26 -5.01 115.64 105.53 1sy9 s THR 5 Ca 0.69 0.07 0.24 0.00 -1.18 0.00 0.00 61.69 61.51 1sy9 s THR 5 Cb -0.06 -0.56 -0.05 0.00 1.34 0.00 0.00 72.50 73.16 1sy9 s THR 5 CO 0.50 -0.06 1.27 -0.62 -0.54 0.00 0.00 174.62 175.17 1sy9 n GLU 6 N 5.33 0.07 -0.22 3.99 1.02 -1.26 -4.17 120.64 125.40 1sy9 n GLU 6 Ca -0.05 -0.05 -0.09 0.00 -0.02 0.00 0.00 57.16 56.95 1sy9 n GLU 6 Cb 0.50 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.45 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 0.11 1.09 -0.47 3.49 5.08 -2.02 -2.71 114.58 119.15 1sy9 h GLU 7 Ca 0.00 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 57.96 1sy9 h GLU 7 Cb 0.51 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1sy9 h GLU 7 CO 0.00 1.05 0.01 1.96 -1.00 0.00 0.00 179.01 181.03 1sy9 h GLN 8 N 1.00 0.76 0.00 2.33 4.20 -2.02 -2.69 115.11 118.70 1sy9 h GLN 8 Ca 0.18 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1sy9 h GLN 8 Cb 0.53 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 1sy9 h GLN 8 CO 0.03 0.76 -0.01 0.82 -0.67 0.00 0.00 178.83 179.76 1sy9 h ILE 9 N 0.71 0.92 -0.80 2.54 2.04 -1.67 -1.99 117.51 119.26 1sy9 h ILE 9 Ca 0.14 -0.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.94 1sy9 h ILE 9 Cb 0.42 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 1sy9 h ILE 9 CO 0.02 0.01 0.36 0.00 0.00 0.00 0.00 178.15 178.53 1sy9 h ALA 10 N 1.99 1.13 -0.84 1.87 0.00 -1.43 -2.61 119.26 119.37 1sy9 h ALA 10 Ca -0.00 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1sy9 h ALA 10 Cb 0.02 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 1sy9 h ALA 10 CO 0.00 0.64 0.55 0.93 0.00 0.00 0.00 179.25 181.37 1sy9 h GLU 11 N 1.14 1.07 0.00 0.00 5.08 -1.47 -0.90 114.58 119.51 1sy9 h GLU 11 Ca 0.27 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1sy9 h GLU 11 Cb 0.15 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 1sy9 h GLU 11 CO -0.03 0.71 -0.01 0.74 -1.00 0.00 0.00 179.01 179.42 1sy9 h PHE 12 N 1.10 0.00 -0.22 4.33 0.04 -1.48 -2.74 116.94 117.98 1sy9 h PHE 12 Ca 0.32 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.99 1sy9 h PHE 12 Cb -0.08 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.06 1sy9 h PHE 12 CO -0.02 0.01 -0.24 0.87 -0.60 0.00 0.00 178.31 178.34 1sy9 h LYS 13 N 0.00 0.55 0.50 1.51 1.79 -1.03 -1.98 116.57 117.91 1sy9 h LYS 13 Ca -0.00 -0.30 -0.02 0.00 -2.18 0.00 0.00 60.65 58.15 1sy9 h LYS 13 Cb 0.22 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 1sy9 h LYS 13 CO 0.00 0.89 -0.24 0.93 -1.08 0.00 0.00 179.45 179.95 1sy9 h GLU 14 N 0.24 -0.65 0.00 3.15 5.08 -1.48 -2.92 114.58 118.00 1sy9 h GLU 14 Ca 0.03 0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1sy9 h GLU 14 Cb 0.79 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 1sy9 h GLU 14 CO 0.06 -0.43 -0.23 0.00 -1.00 0.00 0.00 179.01 177.41 1sy9 h ALA 15 N -0.17 1.12 -0.18 3.43 0.00 -1.64 -3.29 119.26 118.53 1sy9 h ALA 15 Ca -0.07 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.68 1sy9 h ALA 15 Cb 0.52 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 1sy9 h ALA 15 CO 0.11 0.29 -0.39 0.35 0.00 0.00 0.00 179.25 179.61 1sy9 h PHE 16 N 0.00 -1.11 -0.59 0.00 3.57 -1.15 0.12 116.94 117.79 1sy9 h PHE 16 Ca -0.00 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 1sy9 h PHE 16 Cb 0.63 0.51 -0.03 0.00 2.79 0.00 0.00 35.95 39.86 1sy9 h PHE 16 CO 0.00 -0.45 0.24 0.77 -2.23 0.00 0.00 178.31 176.65 1sy9 h SER 17 N -0.44 0.77 -0.93 0.41 0.02 -1.65 -0.65 113.55 111.08 1sy9 h SER 17 Ca 0.09 -0.09 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1sy9 h SER 17 Cb 0.60 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.89 1sy9 h SER 17 CO -0.41 0.68 0.62 0.25 -1.14 0.00 0.00 176.83 176.83 1sy9 h LEU 18 N 0.84 1.07 -0.24 5.07 5.85 -1.24 -2.32 115.31 124.33 1sy9 h LEU 18 Ca 0.20 -0.03 -0.21 0.00 0.84 0.00 0.00 57.88 58.69 1sy9 h LEU 18 Cb 0.15 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1sy9 h LEU 18 CO -0.02 0.77 -0.91 -0.26 -0.34 0.00 0.00 178.44 177.68 1sy9 h PHE 19 N 1.26 0.39 -2.79 1.25 0.04 -0.32 -3.40 116.94 113.37 1sy9 h PHE 19 Ca 0.34 -0.22 -0.68 0.00 2.80 0.00 0.00 57.97 60.22 1sy9 h PHE 19 Cb -0.14 -0.04 -0.18 0.00 2.20 0.00 0.00 35.95 37.79 1sy9 h PHE 19 CO -0.01 1.03 0.35 0.34 -0.60 0.00 0.00 178.31 179.43 1sy9 s ASP 20 N -6.98 6.26 0.29 2.17 2.15 -0.30 -4.90 116.67 115.36 1sy9 s ASP 20 Ca -0.04 -1.41 -0.03 0.00 0.43 0.00 0.00 52.55 51.51 1sy9 s ASP 20 Cb 0.10 -2.35 0.41 0.00 -0.30 0.00 0.00 42.92 40.77 1sy9 s ASP 20 CO 0.84 -1.20 1.96 0.11 -0.17 0.00 0.00 175.17 176.71 1sy9 h LYS 21 N 9.22 1.14 0.00 4.34 6.56 -1.78 -2.06 116.57 133.99 1sy9 h LYS 21 Ca -0.22 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.30 1sy9 h LYS 21 Cb 1.07 -0.26 0.00 0.00 -0.57 0.00 0.00 32.23 32.48 1sy9 h LYS 21 CO 1.12 0.75 0.00 -0.25 -2.06 0.00 0.00 179.45 179.01 1sy9 n ASP 22 N -4.40 0.45 -2.23 0.86 8.00 -1.26 -4.89 116.55 113.07 1sy9 n ASP 22 Ca 0.10 0.55 -0.21 0.00 0.71 0.00 0.00 54.79 55.94 1sy9 n ASP 22 Cb 0.02 -0.67 -0.03 0.00 -0.02 0.00 0.00 41.12 40.43 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 1.18 0.02 0.38 0.44 0.00 -0.77 -4.84 105.19 101.60 1sy9 n GLY 23 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.88 1.29 0.00 1.61 5.75 -1.26 -4.92 116.55 117.14 1sy9 n ASP 24 Ca -0.24 -1.24 0.00 0.00 -0.01 0.00 0.00 54.79 53.30 1sy9 n ASP 24 Cb 0.69 0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.83 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 1.24 0.73 3.16 6.12 0.00 -1.26 -5.06 105.19 110.11 1sy9 n GLY 25 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.36 0.04 -0.20 2.61 -4.23 -1.26 -4.24 115.64 106.00 1sy9 s THR 26 Ca 0.00 -0.31 -0.08 0.00 -1.18 0.00 0.00 61.69 60.12 1sy9 s THR 26 Cb 0.00 -0.45 -0.04 0.00 1.34 0.00 0.00 72.50 73.35 1sy9 s THR 26 CO 0.00 -0.17 0.08 -0.63 -0.54 0.00 0.00 174.62 173.36 1sy9 s ILE 27 N -0.67 4.83 -0.12 2.99 1.01 -1.14 -4.90 121.20 123.20 1sy9 s ILE 27 Ca -0.08 -0.01 -0.07 0.00 0.00 0.00 0.00 60.65 60.49 1sy9 s ILE 27 Cb -0.04 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 1sy9 s ILE 27 CO 0.02 0.43 0.14 -0.89 0.00 0.00 0.00 174.94 174.63 1sy9 s THR 28 N 0.64 5.47 0.54 2.92 2.01 -1.26 -3.55 115.64 122.41 1sy9 s THR 28 Ca 0.04 0.20 0.44 0.00 0.31 0.00 0.00 61.69 62.68 1sy9 s THR 28 Cb -0.13 -3.38 0.66 0.00 0.01 0.00 0.00 72.50 69.66 1sy9 s THR 28 CO 0.01 0.62 1.65 0.71 -0.69 0.00 0.00 174.62 176.93 1sy9 h THR 29 N 3.99 0.15 -0.03 -0.82 1.35 -1.92 0.61 112.91 116.23 1sy9 h THR 29 Ca -0.55 -0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1sy9 h THR 29 Cb 1.23 0.14 -0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1sy9 h THR 29 CO 0.58 0.00 0.01 0.50 -0.25 0.00 0.00 175.52 176.36 1sy9 h LYS 30 N 0.01 0.05 0.30 4.72 3.64 -1.99 -1.63 116.57 121.68 1sy9 h LYS 30 Ca 0.81 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 60.17 1sy9 h LYS 30 Cb 3.19 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 35.00 1sy9 h LYS 30 CO -0.04 0.28 -0.19 0.93 -2.27 0.00 0.00 179.45 178.16 1sy9 h GLU 31 N -0.18 -0.46 -0.27 1.90 5.08 -0.16 -2.50 114.58 117.97 1sy9 h GLU 31 Ca 0.01 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1sy9 h GLU 31 Cb 0.25 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1sy9 h GLU 31 CO 0.00 -0.31 0.14 1.25 -1.00 0.00 0.00 179.01 179.10 1sy9 h LEU 32 N -0.48 0.33 -1.85 1.33 5.85 -1.52 -2.25 115.31 116.71 1sy9 h LEU 32 Ca -0.03 -0.02 0.20 0.00 0.84 0.00 0.00 57.88 58.88 1sy9 h LEU 32 Cb 0.40 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1sy9 h LEU 32 CO 0.02 0.27 0.54 1.23 -0.34 0.00 0.00 178.44 180.16 1sy9 h GLY 33 N 0.45 0.26 1.33 3.75 0.00 -0.82 0.60 103.07 108.64 1sy9 h GLY 33 Ca 0.10 -0.06 -0.15 0.00 0.00 0.00 0.00 47.33 47.22 1sy9 h GLY 33 CO -0.02 0.01 -0.43 -0.84 0.00 0.00 0.00 176.54 175.26 1sy9 h THR 34 N 0.13 1.29 0.52 4.70 2.02 -1.41 -2.01 112.91 118.15 1sy9 h THR 34 Ca 0.37 -1.61 -0.03 0.00 0.77 0.00 0.00 66.41 65.92 1sy9 h THR 34 Cb 1.28 1.52 0.01 0.00 -1.74 0.00 0.00 68.15 69.22 1sy9 h THR 34 CO -0.05 0.52 -0.25 0.58 0.37 0.00 0.00 175.52 176.69 1sy9 h VAL 35 N 0.59 0.43 -0.18 3.16 2.07 -1.00 -2.79 116.25 118.53 1sy9 h VAL 35 Ca 0.04 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1sy9 h VAL 35 Cb 0.98 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1sy9 h VAL 35 CO 0.09 0.04 0.12 0.24 0.02 0.00 0.00 177.57 178.08 1sy9 h MET 36 N -0.87 0.23 0.00 1.57 2.86 -1.51 -0.97 114.93 116.23 1sy9 h MET 36 Ca -0.07 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1sy9 h MET 36 Cb 0.60 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.21 1sy9 h MET 36 CO 0.12 0.15 -0.00 -0.09 1.06 0.00 0.00 176.91 178.15 1sy9 h ARG 37 N 0.24 -0.00 0.00 1.72 1.12 -0.90 0.64 114.38 117.20 1sy9 h ARG 37 Ca 0.07 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.94 1sy9 h ARG 37 Cb -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.95 1sy9 h ARG 37 CO -0.01 -0.00 0.00 1.03 -3.11 0.00 0.00 179.97 177.88 1sy9 h SER 38 N -0.01 0.00 0.02 -3.80 0.87 -1.19 -2.91 113.55 106.54 1sy9 h SER 38 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1sy9 h SER 38 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1sy9 h SER 38 CO 0.00 0.00 -0.26 0.18 -0.53 0.00 0.00 176.83 176.22 1sy9 n LEU 39 N -2.88 2.08 0.00 2.23 7.99 -0.41 -4.95 117.00 121.06 1sy9 n LEU 39 Ca 0.02 -0.72 0.00 0.00 -0.01 0.00 0.00 56.01 55.30 1sy9 n LEU 39 Cb 0.37 -0.02 0.00 0.00 -0.11 0.00 0.00 43.42 43.66 1sy9 n LEU 39 CO 0.28 0.37 0.00 0.61 -1.51 0.00 0.00 177.39 177.14 1sy9 n GLY 40 N 1.36 -1.57 3.82 -0.72 0.00 0.19 -5.01 105.19 103.26 1sy9 n GLY 40 Ca 0.12 0.56 -0.06 0.00 0.00 0.00 0.00 46.02 46.65 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 1.58 -0.25 1.61 -2.07 0.85 -4.84 119.66 116.55 1sy9 s GLN 41 Ca 0.00 -0.90 -0.07 0.00 -1.82 0.00 0.00 55.36 52.57 1sy9 s GLN 41 Cb 0.00 0.52 -0.02 0.00 -1.09 0.00 0.00 33.01 32.42 1sy9 s GLN 41 CO 0.00 -0.73 0.06 1.21 -1.32 0.00 0.00 175.29 174.51 1sy9 s ASN 42 N -2.97 5.03 0.00 12.60 3.04 -1.26 -2.24 114.94 129.14 1sy9 s ASN 42 Ca 0.13 -0.26 0.00 0.00 0.04 0.00 0.00 52.86 52.76 1sy9 s ASN 42 Cb -0.04 -1.90 0.00 0.00 -1.54 0.00 0.00 41.25 37.77 1sy9 s ASN 42 CO 0.06 -0.04 0.00 -0.81 -3.04 0.00 0.00 177.10 173.26 1sy9 n PRO 43 N 4.91 2.54 -4.05 0.43 -0.04 -1.26 -5.02 135.00 132.49 1sy9 n PRO 43 Ca -0.16 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.20 1sy9 n PRO 43 Cb 0.51 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.86 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 0.35 0.62 0.52 -4.23 -1.26 -5.00 115.64 106.64 1sy9 s THR 44 Ca 0.00 -1.27 0.28 0.00 -1.18 0.00 0.00 61.69 59.53 1sy9 s THR 44 Cb 0.00 -0.79 0.35 0.00 1.34 0.00 0.00 72.50 73.39 1sy9 s THR 44 CO 0.00 -0.60 1.89 -0.33 -0.54 0.00 0.00 174.62 175.04 1sy9 h GLU 45 N 4.10 0.00 0.48 3.99 5.08 -1.97 0.90 114.58 127.17 1sy9 h GLU 45 Ca -0.34 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 1sy9 h GLU 45 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1sy9 h GLU 45 CO 0.49 0.00 -0.23 0.00 -1.00 0.00 0.00 179.01 178.26 1sy9 h ALA 46 N 1.39 -0.65 -0.40 3.43 0.00 -2.00 -2.39 119.26 118.65 1sy9 h ALA 46 Ca 0.14 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1sy9 h ALA 46 Cb 1.01 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1sy9 h ALA 46 CO -0.00 -0.60 -0.21 1.49 0.00 0.00 0.00 179.25 179.92 1sy9 h GLU 47 N -1.17 0.78 -0.64 0.00 4.81 -1.71 -2.67 114.58 113.98 1sy9 h GLU 47 Ca -0.07 -0.31 0.06 0.00 -0.13 0.00 0.00 59.36 58.92 1sy9 h GLU 47 Cb 0.50 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 1sy9 h GLU 47 CO 0.11 0.93 0.42 -0.07 -0.73 0.00 0.00 179.01 179.67 1sy9 h LEU 48 N 0.69 0.54 -0.82 1.64 3.38 0.71 -1.66 115.31 119.79 1sy9 h LEU 48 Ca 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1sy9 h LEU 48 Cb 0.72 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 1sy9 h LEU 48 CO 0.06 0.35 0.36 -0.61 0.09 0.00 0.00 178.44 178.68 1sy9 h GLN 49 N 0.62 1.21 -0.63 1.13 -0.00 -1.06 -2.85 115.11 113.53 1sy9 h GLN 49 Ca 0.28 -0.20 -0.09 0.00 -0.00 0.00 0.00 58.65 58.63 1sy9 h GLN 49 Cb 0.29 -0.20 -0.02 0.00 0.00 0.00 0.00 27.48 27.55 1sy9 h GLN 49 CO -0.08 0.96 0.03 0.22 0.00 0.00 0.00 178.83 179.95 1sy9 h ASP 50 N 1.18 1.07 -0.49 -0.69 1.82 -1.32 -1.87 116.42 116.12 1sy9 h ASP 50 Ca 0.28 -0.29 0.01 0.00 -0.39 0.00 0.00 57.03 56.63 1sy9 h ASP 50 Cb 0.18 -0.29 -0.02 0.00 0.68 0.00 0.00 39.33 39.88 1sy9 h ASP 50 CO -0.03 1.10 0.33 0.24 -1.61 0.00 0.00 179.24 179.27 1sy9 h MET 51 N 1.01 0.65 -0.33 0.28 2.86 -1.30 -2.28 114.93 115.81 1sy9 h MET 51 Ca 0.18 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.69 1sy9 h MET 51 Cb 0.53 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 1sy9 h MET 51 CO 0.03 0.43 -0.20 0.82 1.06 0.00 0.00 176.91 179.05 1sy9 h ILE 52 N 0.67 1.26 -1.00 -1.22 1.08 -1.40 -3.09 117.51 113.81 1sy9 h ILE 52 Ca 0.18 -1.23 0.01 0.00 -0.39 0.00 0.00 64.86 63.43 1sy9 h ILE 52 Cb -0.08 1.23 -0.05 0.00 -3.07 0.00 0.00 36.82 34.85 1sy9 h ILE 52 CO -0.04 0.40 0.66 -1.13 -0.69 0.00 0.00 178.15 177.36 1sy9 h ASN 53 N 0.55 1.15 0.57 1.72 -1.24 -0.77 0.41 115.58 117.97 1sy9 h ASN 53 Ca 0.08 -0.03 -0.09 0.00 0.71 0.00 0.00 56.30 56.98 1sy9 h ASN 53 Cb 0.65 -0.29 -0.01 0.00 0.73 0.00 0.00 38.32 39.40 1sy9 h ASN 53 CO 0.05 0.83 -0.43 -0.08 -1.29 0.00 0.00 177.43 176.51 1sy9 h GLU 54 N 1.35 0.00 -0.00 6.67 4.81 -1.41 -3.06 114.58 122.94 1sy9 h GLU 54 Ca 0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 1sy9 h GLU 54 Cb -0.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.22 1sy9 h GLU 54 CO -0.08 0.43 -0.83 0.28 -0.73 0.00 0.00 179.01 178.08 1sy9 n VAL 55 N -3.82 0.00 -2.25 0.32 0.31 -0.83 -4.84 118.33 107.23 1sy9 n VAL 55 Ca -0.01 -0.04 -0.39 0.00 -0.01 0.00 0.00 64.34 63.89 1sy9 n VAL 55 Cb 0.48 0.90 -0.03 0.00 -0.91 0.00 0.00 33.84 34.28 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 -2.91 5.63 0.22 4.52 1.01 0.14 -4.82 116.67 120.45 1sy9 s ASP 56 Ca 0.10 -0.10 -0.06 0.00 0.71 0.00 0.00 52.55 53.21 1sy9 s ASP 56 Cb 0.17 -2.54 0.19 0.00 1.01 0.00 0.00 42.92 41.74 1sy9 s ASP 56 CO 0.79 -2.17 1.69 0.00 0.21 0.00 0.00 175.17 175.69 1sy9 h ALA 57 N 12.71 0.95 0.00 5.23 0.00 -1.88 -3.13 119.26 133.14 1sy9 h ALA 57 Ca -0.22 -0.30 -0.28 0.00 0.00 0.00 0.00 54.91 54.11 1sy9 h ALA 57 Cb 1.10 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 1sy9 h ALA 57 CO 1.25 0.63 -1.68 -0.40 0.00 0.00 0.00 179.25 179.05 1sy9 n ASP 58 N -4.19 0.88 0.00 0.00 5.75 -1.26 -4.98 116.55 112.75 1sy9 n ASP 58 Ca 0.03 0.42 0.00 0.00 -0.01 0.00 0.00 54.79 55.22 1sy9 n ASP 58 Cb 0.34 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 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 1.54 0.77 0.20 6.12 0.00 -1.19 -4.98 105.19 107.65 1sy9 n GLY 59 Ca -0.16 -0.41 -0.15 0.00 0.00 0.00 0.00 46.02 45.30 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 0.75 0.00 1.61 -1.07 -1.94 -3.48 115.58 111.46 1sy9 h ASN 60 Ca 0.00 -0.51 0.00 0.00 0.07 0.00 0.00 56.30 55.86 1sy9 h ASN 60 Cb 0.00 -0.22 0.00 0.00 -2.07 0.00 0.00 38.32 36.03 1sy9 h ASN 60 CO 0.00 1.30 0.00 0.61 0.07 0.00 0.00 177.43 179.41 1sy9 n GLY 61 N 0.73 0.62 3.27 9.14 0.00 -1.26 -5.13 105.19 112.56 1sy9 n GLY 61 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.48 0.41 -0.22 2.61 -4.23 -1.26 -4.85 115.64 106.61 1sy9 s THR 62 Ca 0.00 -1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 58.46 1sy9 s THR 62 Cb 0.00 -2.51 -0.03 0.00 1.34 0.00 0.00 72.50 71.30 1sy9 s THR 62 CO 0.00 -0.08 0.03 -0.63 -0.54 0.00 0.00 174.62 173.40 1sy9 s ILE 63 N -3.86 4.12 0.42 2.99 1.01 -1.23 -4.72 121.20 119.92 1sy9 s ILE 63 Ca 0.36 -0.25 0.08 0.00 0.00 0.00 0.00 60.65 60.84 1sy9 s ILE 63 Cb 0.07 -2.89 -0.00 0.00 0.01 0.00 0.00 42.46 39.65 1sy9 s ILE 63 CO 0.12 0.39 0.48 -1.81 0.00 0.00 0.00 174.94 174.11 1sy9 s ASP 64 N 1.27 5.36 0.21 3.58 1.01 -1.26 -2.88 116.67 123.96 1sy9 s ASP 64 Ca 0.04 -0.58 -0.13 0.00 0.71 0.00 0.00 52.55 52.59 1sy9 s ASP 64 Cb -0.15 -0.61 0.25 0.00 1.01 0.00 0.00 42.92 43.43 1sy9 s ASP 64 CO 0.02 -0.71 1.63 0.15 0.21 0.00 0.00 175.17 176.46 1sy9 h PHE 65 N 0.83 -0.32 -0.27 4.23 3.57 -2.00 -0.85 116.94 122.12 1sy9 h PHE 65 Ca -0.41 0.06 -0.08 0.00 3.53 0.00 0.00 57.97 61.07 1sy9 h PHE 65 Cb 1.27 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 40.24 1sy9 h PHE 65 CO 0.46 -0.27 -0.16 -1.00 -2.23 0.00 0.00 178.31 175.11 1sy9 h PRO 66 N 0.01 0.48 -0.33 6.41 0.13 -1.97 -2.84 132.00 133.88 1sy9 h PRO 66 Ca 0.31 -0.15 -0.18 0.00 -0.87 0.00 0.00 66.00 65.12 1sy9 h PRO 66 Cb 0.48 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.57 1sy9 h PRO 66 CO -0.66 0.62 -0.48 0.93 -0.23 0.00 0.00 178.00 178.19 1sy9 h GLU 67 N 0.44 0.91 -0.52 0.86 5.08 -1.55 -3.04 114.58 116.76 1sy9 h GLU 67 Ca 0.08 -0.53 -0.02 0.00 -1.00 0.00 0.00 59.36 57.88 1sy9 h GLU 67 Cb 0.53 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1sy9 h GLU 67 CO 0.03 1.18 0.25 0.35 -1.00 0.00 0.00 179.01 179.82 1sy9 h PHE 68 N 0.72 0.75 -0.52 4.33 3.04 -1.08 -2.96 116.94 121.21 1sy9 h PHE 68 Ca 0.04 -0.04 -0.03 0.00 3.98 0.00 0.00 57.97 61.91 1sy9 h PHE 68 Cb 1.08 -0.23 -0.02 0.00 2.56 0.00 0.00 35.95 39.34 1sy9 h PHE 68 CO 0.07 0.59 0.19 -0.07 -2.02 0.00 0.00 178.31 177.07 1sy9 h LEU 69 N 0.69 0.73 -1.40 0.59 3.38 -1.52 -2.89 115.31 114.89 1sy9 h LEU 69 Ca 0.18 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1sy9 h LEU 69 Cb 0.12 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1sy9 h LEU 69 CO -0.02 0.71 0.08 0.00 0.09 0.00 0.00 178.44 179.30 1sy9 h THR 70 N 0.70 1.16 -0.19 0.22 1.03 -1.47 -2.79 112.91 111.57 1sy9 h THR 70 Ca 0.17 -0.55 -0.04 0.00 -0.01 0.00 0.00 66.41 65.98 1sy9 h THR 70 Cb 0.22 0.82 -0.01 0.00 -1.07 0.00 0.00 68.15 68.11 1sy9 h THR 70 CO -0.01 0.20 -0.04 -0.03 -0.01 0.00 0.00 175.52 175.63 1sy9 h MET 71 N 0.48 0.36 -0.42 0.00 1.85 -1.35 -3.05 114.93 112.80 1sy9 h MET 71 Ca 0.11 -0.14 -0.05 0.00 -0.61 0.00 0.00 59.70 59.02 1sy9 h MET 71 Cb 0.18 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.18 1sy9 h MET 71 CO -0.00 0.61 0.08 1.98 -0.40 0.00 0.00 176.91 179.18 1sy9 h MET 72 N 0.08 0.70 -0.69 0.39 -1.53 -1.38 -2.68 114.93 109.81 1sy9 h MET 72 Ca 0.05 -0.18 0.02 0.00 -3.44 0.00 0.00 59.70 56.14 1sy9 h MET 72 Cb 0.48 -0.08 -0.04 0.00 -0.55 0.00 0.00 31.60 31.41 1sy9 h MET 72 CO 0.02 0.72 0.46 0.00 0.14 0.00 0.00 176.91 178.25 1sy9 h ALA 73 N 0.94 1.55 -0.31 0.39 0.00 -1.55 -2.34 119.26 117.94 1sy9 h ALA 73 Ca 0.13 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 1sy9 h ALA 73 Cb 0.36 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1sy9 h ALA 73 CO 0.01 0.40 -0.52 -0.09 0.00 0.00 0.00 179.25 179.06 1sy9 h ARG 74 N 0.90 0.90 -0.02 0.00 9.65 -1.41 -3.29 114.38 121.10 1sy9 h ARG 74 Ca 0.26 -0.55 -0.13 0.00 -1.10 0.00 0.00 59.98 58.46 1sy9 h ARG 74 Cb -0.04 0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.58 1sy9 h ARG 74 CO -0.06 1.19 -0.61 0.87 2.80 0.00 0.00 179.97 184.16 1sy9 h LYS 75 N 0.70 0.07 -0.49 0.20 1.79 -1.12 -3.33 116.57 114.39 1sy9 h LYS 75 Ca 0.02 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1sy9 h LYS 75 Cb 1.12 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.76 1sy9 h LYS 75 CO 0.12 0.65 0.32 0.52 -1.08 0.00 0.00 179.45 179.98 1sy9 h MET 76 N 0.05 0.64 -0.24 3.15 2.86 -1.50 -2.81 114.93 117.08 1sy9 h MET 76 Ca -0.01 -0.04 -0.13 0.00 -2.06 0.00 0.00 59.70 57.46 1sy9 h MET 76 Cb 1.08 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.59 1sy9 h MET 76 CO 0.08 0.43 -0.40 1.57 1.06 0.00 0.00 176.91 179.66 1sy9 h LYS 77 N 0.66 0.55 0.00 1.72 2.10 -1.73 -2.91 116.57 116.96 1sy9 h LYS 77 Ca 0.18 -0.27 0.00 0.00 -2.00 0.00 0.00 60.65 58.55 1sy9 h LYS 77 Cb -0.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.26 1sy9 h LYS 77 CO -0.04 0.85 0.00 -0.25 -2.00 0.00 0.00 179.45 178.02 1sy9 n ASP 78 N -4.03 0.34 -0.74 7.07 8.00 -1.12 -4.83 116.55 121.24 1sy9 n ASP 78 Ca -0.02 0.58 0.00 0.00 0.71 0.00 0.00 54.79 56.06 1sy9 n ASP 78 Cb 0.51 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 1sy9 n ASP 78 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1sy9 n THR 79 N -1.87 0.00 -5.25 -3.53 5.66 -1.08 -5.12 114.28 103.09 1sy9 n THR 79 Ca 0.03 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.72 1sy9 n THR 79 Cb 0.22 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 68.84 1sy9 n THR 79 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1sy9 s ASP 80 N 0.14 3.07 0.51 1.09 1.01 -1.26 -4.96 116.67 116.27 1sy9 s ASP 80 Ca 0.00 -0.53 0.16 0.00 0.71 0.00 0.00 52.55 52.89 1sy9 s ASP 80 Cb 0.00 -1.04 1.25 0.00 1.01 0.00 0.00 42.92 44.14 1sy9 s ASP 80 CO 0.00 0.21 2.14 -1.28 0.21 0.00 0.00 175.17 176.45 1sy9 h SER 81 N 6.29 0.00 -0.16 0.27 0.87 -1.99 -1.34 113.55 117.49 1sy9 h SER 81 Ca -0.27 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 1sy9 h SER 81 Cb 1.20 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.15 1sy9 h SER 81 CO 0.47 0.02 0.10 -0.33 -0.53 0.00 0.00 176.83 176.56 1sy9 h GLU 82 N 0.00 0.22 -1.01 2.24 5.08 -2.01 -1.63 114.58 117.47 1sy9 h GLU 82 Ca -0.00 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1sy9 h GLU 82 Cb 0.03 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 1sy9 h GLU 82 CO 0.00 0.15 0.67 0.93 -1.00 0.00 0.00 179.01 179.76 1sy9 h GLU 83 N 0.22 1.33 -0.66 2.33 5.08 -1.66 -2.13 114.58 119.09 1sy9 h GLU 83 Ca 0.06 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1sy9 h GLU 83 Cb -0.01 -0.30 -0.03 0.00 0.50 0.00 0.00 28.75 28.91 1sy9 h GLU 83 CO -0.01 0.88 0.30 0.93 -1.00 0.00 0.00 179.01 180.11 1sy9 h GLU 84 N 1.37 0.93 -0.11 2.33 5.08 -1.40 -2.58 114.58 120.19 1sy9 h GLU 84 Ca 0.37 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 1sy9 h GLU 84 Cb -0.16 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 28.91 1sy9 h GLU 84 CO -0.08 0.73 -0.02 0.82 -1.00 0.00 0.00 179.01 179.46 1sy9 h ILE 85 N 0.93 1.28 -0.90 3.13 2.04 -1.36 -2.22 117.51 120.41 1sy9 h ILE 85 Ca 0.23 -0.91 0.01 0.00 1.00 0.00 0.00 64.86 65.19 1sy9 h ILE 85 Cb 0.11 1.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 1sy9 h ILE 85 CO -0.03 0.26 0.59 0.03 0.00 0.00 0.00 178.15 179.01 1sy9 h ARG 86 N -0.09 1.18 -0.37 2.37 3.08 -1.31 -2.02 114.38 117.23 1sy9 h ARG 86 Ca 0.03 -0.07 -0.17 0.00 0.07 0.00 0.00 59.98 59.84 1sy9 h ARG 86 Cb 0.41 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 1sy9 h ARG 86 CO 0.01 0.78 -0.42 0.93 -1.07 0.00 0.00 179.97 180.21 1sy9 h GLU 87 N 1.22 0.94 -0.22 0.04 5.08 -1.46 -2.96 114.58 117.21 1sy9 h GLU 87 Ca 0.33 -0.51 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 1sy9 h GLU 87 Cb -0.14 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1sy9 h GLU 87 CO -0.07 1.17 -0.04 0.00 -1.00 0.00 0.00 179.01 179.06 1sy9 h ALA 88 N 0.76 0.30 -0.47 3.43 0.00 -1.16 -2.27 119.26 119.85 1sy9 h ALA 88 Ca 0.05 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1sy9 h ALA 88 Cb 1.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1sy9 h ALA 88 CO 0.10 0.07 0.31 0.35 0.00 0.00 0.00 179.25 180.08 1sy9 h PHE 89 N 0.15 0.58 -0.72 0.00 3.04 -1.44 -2.09 116.94 116.47 1sy9 h PHE 89 Ca 0.06 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.03 1sy9 h PHE 89 Cb 0.48 -0.20 -0.04 0.00 2.56 0.00 0.00 35.95 38.76 1sy9 h PHE 89 CO 0.05 0.37 0.48 -0.09 -2.02 0.00 0.00 178.31 177.09 1sy9 h ARG 90 N 0.63 0.94 -0.19 1.11 2.43 -1.47 -0.02 114.38 117.80 1sy9 h ARG 90 Ca 0.17 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 1sy9 h ARG 90 Cb -0.07 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.26 1sy9 h ARG 90 CO -0.04 0.62 -0.07 0.28 -1.51 0.00 0.00 179.97 179.25 1sy9 h VAL 91 N 0.97 1.30 -0.30 0.20 2.07 -0.79 -3.17 116.25 116.53 1sy9 h VAL 91 Ca 0.26 -1.09 -0.13 0.00 0.82 0.00 0.00 66.70 66.56 1sy9 h VAL 91 Cb -0.11 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1sy9 h VAL 91 CO -0.06 0.33 -0.35 -0.26 0.02 0.00 0.00 177.57 177.25 1sy9 h PHE 92 N 0.08 0.79 -0.69 1.57 0.04 -1.11 -3.34 116.94 114.27 1sy9 h PHE 92 Ca 0.04 -0.21 -0.62 0.00 2.80 0.00 0.00 57.97 59.98 1sy9 h PHE 92 Cb 0.54 -0.18 -0.07 0.00 2.20 0.00 0.00 35.95 38.44 1sy9 h PHE 92 CO 0.06 0.93 2.11 -3.47 -0.60 0.00 0.00 178.31 177.33 1sy9 n ASP 93 N -4.06 4.47 -0.21 2.17 -0.08 -0.05 -4.66 116.55 114.14 1sy9 n ASP 93 Ca -0.01 -2.87 -0.06 0.00 -1.51 0.00 0.00 54.79 50.34 1sy9 n ASP 93 Cb 0.49 -1.73 0.04 0.00 2.34 0.00 0.00 41.12 42.26 1sy9 n ASP 93 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1sy9 h LYS 94 N 7.79 0.78 0.00 -0.67 3.64 -1.76 -2.07 116.57 124.28 1sy9 h LYS 94 Ca 0.42 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1sy9 h LYS 94 Cb 0.86 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1sy9 h LYS 94 CO 1.47 0.51 0.00 0.38 -2.27 0.00 0.00 179.45 179.55 1sy9 h ASP 95 N 0.80 0.00 -2.17 4.20 2.03 -1.93 -3.47 116.42 115.88 1sy9 h ASP 95 Ca 0.22 0.00 -0.34 0.00 -0.73 0.00 0.00 57.03 56.17 1sy9 h ASP 95 Cb -0.09 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.37 1sy9 h ASP 95 CO -0.05 0.00 -0.42 0.61 -1.03 0.00 0.00 179.24 178.35 1sy9 n GLY 96 N 1.00 0.01 0.01 7.15 0.00 -0.78 -4.86 105.19 107.73 1sy9 n GLY 96 Ca 0.04 -0.17 0.09 0.00 0.00 0.00 0.00 46.02 45.98 1sy9 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sy9 n ASN 97 N -1.20 0.07 0.00 1.61 6.94 -1.26 -4.86 115.26 116.56 1sy9 n ASN 97 Ca -0.20 0.52 0.00 0.00 -0.02 0.00 0.00 54.58 54.88 1sy9 n ASN 97 Cb 0.64 -0.53 0.00 0.00 -2.36 0.00 0.00 39.78 37.53 1sy9 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1sy9 n GLY 98 N 0.26 3.31 3.31 4.83 0.00 -1.26 -5.05 105.19 110.58 1sy9 n GLY 98 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1sy9 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sy9 s TYR 99 N -2.85 2.35 -0.26 1.61 1.51 -1.26 -4.50 117.35 113.95 1sy9 s TYR 99 Ca 0.00 -0.47 -0.18 0.00 -1.01 0.00 0.00 57.07 55.41 1sy9 s TYR 99 Cb 0.00 -1.51 -0.03 0.00 -0.11 0.00 0.00 41.96 40.31 1sy9 s TYR 99 CO 0.00 -0.06 0.50 0.42 -1.11 0.00 0.00 175.55 175.30 1sy9 s ILE 100 N -0.55 5.08 0.60 2.71 1.01 -1.17 -4.94 121.20 123.92 1sy9 s ILE 100 Ca 0.08 0.86 -0.01 0.00 0.00 0.00 0.00 60.65 61.58 1sy9 s ILE 100 Cb -0.10 -3.82 0.04 0.00 0.01 0.00 0.00 42.46 38.59 1sy9 s ILE 100 CO -0.00 0.09 0.84 -0.44 0.00 0.00 0.00 174.94 175.43 1sy9 s SER 101 N 1.55 5.12 0.17 3.58 0.01 -1.26 -4.00 113.70 118.87 1sy9 s SER 101 Ca 0.21 0.08 -0.06 0.00 1.31 0.00 0.00 55.95 57.48 1sy9 s SER 101 Cb -0.16 -0.88 0.05 0.00 0.21 0.00 0.00 66.02 65.25 1sy9 s SER 101 CO 0.09 -1.29 1.49 0.00 0.41 0.00 0.00 173.24 173.94 1sy9 h ALA 102 N -0.12 0.64 -0.71 1.44 0.00 -1.94 -2.97 119.26 115.60 1sy9 h ALA 102 Ca -0.42 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 53.95 1sy9 h ALA 102 Cb 1.30 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1sy9 h ALA 102 CO 0.53 0.68 0.27 0.00 0.00 0.00 0.00 179.25 180.74 1sy9 h ALA 103 N 0.89 1.14 -0.72 0.00 0.00 -1.99 -2.16 119.26 116.42 1sy9 h ALA 103 Ca 0.02 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1sy9 h ALA 103 Cb 1.06 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1sy9 h ALA 103 CO 0.10 0.61 0.18 0.93 0.00 0.00 0.00 179.25 181.08 1sy9 h GLU 104 N 1.03 1.15 -0.74 0.00 5.08 -1.86 -2.55 114.58 116.70 1sy9 h GLU 104 Ca 0.24 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 1sy9 h GLU 104 Cb 0.21 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1sy9 h GLU 104 CO -0.02 1.01 0.21 -0.07 -1.00 0.00 0.00 179.01 179.14 1sy9 h LEU 105 N 1.09 1.10 -1.62 1.33 -0.00 -1.33 -2.52 115.31 113.36 1sy9 h LEU 105 Ca 0.23 -0.22 -0.03 0.00 -0.00 0.00 0.00 57.88 57.86 1sy9 h LEU 105 Cb 0.37 -0.29 -0.01 0.00 -0.00 0.00 0.00 40.66 40.73 1sy9 h LEU 105 CO 0.00 1.03 -0.09 -0.09 -0.00 0.00 0.00 178.44 179.29 1sy9 h ARG 106 N 1.11 0.13 -0.38 1.13 2.43 -1.06 -2.59 114.38 115.14 1sy9 h ARG 106 Ca 0.23 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1sy9 h ARG 106 Cb 0.34 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1sy9 h ARG 106 CO -0.00 0.23 0.25 1.25 -1.51 0.00 0.00 179.97 180.19 1sy9 h HIS 107 N 0.13 0.48 -0.03 2.20 2.76 -1.05 -2.41 115.15 117.23 1sy9 h HIS 107 Ca 0.03 0.01 -0.21 0.00 -2.20 0.00 0.00 60.37 58.00 1sy9 h HIS 107 Cb 0.25 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 29.04 1sy9 h HIS 107 CO 0.00 0.31 -0.86 0.28 -1.30 0.00 0.00 177.93 176.35 1sy9 h VAL 108 N 0.52 1.39 -0.11 5.26 2.07 -1.58 -2.52 116.25 121.28 1sy9 h VAL 108 Ca 0.14 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.33 1sy9 h VAL 108 Cb -0.06 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1sy9 h VAL 108 CO -0.03 0.70 0.07 0.24 0.02 0.00 0.00 177.57 178.57 1sy9 h MET 109 N 0.25 0.14 -0.41 1.57 2.07 -1.30 0.40 114.93 117.64 1sy9 h MET 109 Ca -0.06 -0.01 -0.15 0.00 -2.07 0.00 0.00 59.70 57.41 1sy9 h MET 109 Cb 1.48 -0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 31.17 1sy9 h MET 109 CO 0.15 0.10 -0.34 1.15 1.07 0.00 0.00 176.91 179.03 1sy9 h THR 110 N 0.14 1.27 -0.58 2.22 2.02 -1.51 -1.15 112.91 115.31 1sy9 h THR 110 Ca 0.04 -1.52 0.01 0.00 0.77 0.00 0.00 66.41 65.71 1sy9 h THR 110 Cb -0.01 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 1sy9 h THR 110 CO -0.01 0.51 0.39 -1.13 0.37 0.00 0.00 175.52 175.65 1sy9 h ASN 111 N 0.80 0.67 0.15 4.18 -0.00 -1.20 -1.11 115.58 119.06 1sy9 h ASN 111 Ca 0.07 -0.02 -0.13 0.00 -0.00 0.00 0.00 56.30 56.23 1sy9 h ASN 111 Cb 0.94 -0.17 -0.01 0.00 -0.00 0.00 0.00 38.32 39.08 1sy9 h ASN 111 CO 0.09 0.49 -0.46 -0.07 -0.00 0.00 0.00 177.43 177.48 1sy9 h LEU 112 N 0.79 0.40 0.00 0.34 3.38 -0.67 -3.47 115.31 116.09 1sy9 h LEU 112 Ca 0.21 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1sy9 h LEU 112 Cb -0.09 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1sy9 h LEU 112 CO -0.05 0.80 0.00 0.61 0.09 0.00 0.00 178.44 179.89 1sy9 n GLY 113 N -0.01 1.69 3.52 0.83 0.00 -0.42 -4.95 105.19 105.85 1sy9 n GLY 113 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.06 3.50 -0.27 1.61 2.02 -0.48 -5.01 118.70 120.02 1sy9 s GLU 114 Ca 0.00 -0.52 -0.11 0.00 0.02 0.00 0.00 54.97 54.37 1sy9 s GLU 114 Cb 0.00 -2.86 -0.05 0.00 0.10 0.00 0.00 34.13 31.32 1sy9 s GLU 114 CO 0.00 0.33 0.18 0.15 0.02 0.00 0.00 175.26 175.94 1sy9 s LYS 115 N 0.12 3.96 0.08 1.61 1.02 -1.26 -3.70 119.74 121.55 1sy9 s LYS 115 Ca -0.01 -0.32 0.02 0.00 0.02 0.00 0.00 55.97 55.68 1sy9 s LYS 115 Cb -0.14 -3.64 -0.04 0.00 -0.52 0.00 0.00 37.83 33.50 1sy9 s LYS 115 CO 0.03 -0.15 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.72 1sy9 s LEU 116 N 1.68 2.42 0.61 3.17 1.43 -1.26 -5.13 118.68 121.59 1sy9 s LEU 116 Ca 0.07 -0.84 -0.11 0.00 -1.03 0.00 0.00 54.13 52.23 1sy9 s LEU 116 Cb -0.16 -0.11 -0.04 0.00 0.03 0.00 0.00 46.19 45.91 1sy9 s LEU 116 CO 0.10 -0.37 1.01 0.42 0.23 0.00 0.00 176.35 177.74 1sy9 s THR 117 N -2.80 4.73 0.51 5.49 -4.23 -1.26 -4.93 115.64 113.15 1sy9 s THR 117 Ca 0.04 0.82 0.25 0.00 -1.18 0.00 0.00 61.69 61.62 1sy9 s THR 117 Cb -0.00 -3.87 0.30 0.00 1.34 0.00 0.00 72.50 70.27 1sy9 s THR 117 CO -0.03 -1.11 2.15 0.44 -0.54 0.00 0.00 174.62 175.53 1sy9 h ASP 118 N -0.25 0.00 0.25 3.99 3.32 -2.00 -0.13 116.42 121.60 1sy9 h ASP 118 Ca -0.44 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.51 1sy9 h ASP 118 Cb 1.19 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 1sy9 h ASP 118 CO 0.62 0.06 -0.37 -0.33 -1.72 0.00 0.00 179.24 177.50 1sy9 h GLU 119 N 0.00 0.18 -0.25 3.56 5.08 -2.00 -2.13 114.58 119.02 1sy9 h GLU 119 Ca -0.00 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.19 1sy9 h GLU 119 Cb 0.14 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1sy9 h GLU 119 CO 0.01 0.53 -0.25 0.93 -1.00 0.00 0.00 179.01 179.23 1sy9 h GLU 120 N 0.15 0.47 -0.16 2.33 5.08 -1.38 -2.59 114.58 118.49 1sy9 h GLU 120 Ca 0.02 -0.18 -0.21 0.00 -1.00 0.00 0.00 59.36 57.99 1sy9 h GLU 120 Cb 0.73 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1sy9 h GLU 120 CO 0.05 0.69 -0.72 0.28 -1.00 0.00 0.00 179.01 178.31 1sy9 h VAL 121 N 0.42 1.30 -0.62 3.13 2.07 -1.31 -3.04 116.25 118.20 1sy9 h VAL 121 Ca 0.06 -1.96 0.01 0.00 0.82 0.00 0.00 66.70 65.62 1sy9 h VAL 121 Cb 0.66 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 32.35 1sy9 h VAL 121 CO 0.05 0.62 0.41 -0.78 0.02 0.00 0.00 177.57 177.89 1sy9 h ASP 122 N 0.50 0.72 -0.77 0.57 1.82 -1.18 -2.12 116.42 115.96 1sy9 h ASP 122 Ca -0.04 -0.02 0.01 0.00 -0.39 0.00 0.00 57.03 56.59 1sy9 h ASP 122 Cb 1.33 -0.18 -0.04 0.00 0.68 0.00 0.00 39.33 41.13 1sy9 h ASP 122 CO 0.14 0.52 0.51 -0.08 -1.61 0.00 0.00 179.24 178.73 1sy9 h GLU 123 N 0.85 1.02 -0.89 0.28 4.81 -1.47 -1.49 114.58 117.68 1sy9 h GLU 123 Ca 0.23 -0.06 0.12 0.00 -0.13 0.00 0.00 59.36 59.52 1sy9 h GLU 123 Cb -0.10 -0.23 -0.07 0.00 0.63 0.00 0.00 28.75 28.99 1sy9 h GLU 123 CO -0.05 0.67 0.57 0.52 -0.73 0.00 0.00 179.01 180.00 1sy9 h MET 124 N 1.05 0.75 -0.53 1.92 2.86 -1.27 0.22 114.93 119.93 1sy9 h MET 124 Ca 0.28 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.80 1sy9 h MET 124 Cb -0.12 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.35 1sy9 h MET 124 CO -0.06 0.50 0.02 0.82 1.06 0.00 0.00 176.91 179.24 1sy9 h ILE 125 N 0.77 1.25 -0.84 -1.22 2.04 -1.02 -2.88 117.51 115.62 1sy9 h ILE 125 Ca 0.43 -1.04 0.06 0.00 1.00 0.00 0.00 64.86 65.31 1sy9 h ILE 125 Cb 0.59 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 1sy9 h ILE 125 CO -0.20 0.37 0.55 -0.09 0.00 0.00 0.00 178.15 178.78 1sy9 h ARG 126 N 0.82 0.94 -1.00 2.37 2.43 -0.06 0.26 114.38 120.14 1sy9 h ARG 126 Ca 0.16 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1sy9 h ARG 126 Cb 0.47 -0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 29.76 1sy9 h ARG 126 CO 0.02 0.62 0.66 0.93 -1.51 0.00 0.00 179.97 180.69 1sy9 h GLU 127 N 0.97 1.32 -0.02 0.20 5.08 -1.24 -2.99 114.58 117.90 1sy9 h GLU 127 Ca 0.35 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1sy9 h GLU 127 Cb 0.16 -0.30 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1sy9 h GLU 127 CO -0.12 0.88 -0.01 0.00 -1.00 0.00 0.00 179.01 178.76 1sy9 n ALA 128 N -2.38 2.49 -3.10 3.43 0.00 -1.00 -4.76 120.51 115.19 1sy9 n ALA 128 Ca 0.12 -0.63 -0.44 0.00 0.00 0.00 0.00 53.44 52.49 1sy9 n ALA 128 Cb 0.02 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 5.90 -0.20 0.00 -0.08 0.88 -4.62 116.55 119.32 1sy9 n ASP 129 Ca 0.09 -3.21 -0.10 0.00 -1.51 0.00 0.00 54.79 50.06 1sy9 n ASP 129 Cb 0.41 -1.35 0.02 0.00 2.34 0.00 0.00 41.12 42.54 1sy9 n ASP 129 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1sy9 h ILE 130 N 3.61 1.27 -0.82 5.18 2.04 -1.86 -3.05 117.51 123.89 1sy9 h ILE 130 Ca 0.21 -1.24 0.04 0.00 1.00 0.00 0.00 64.86 64.87 1sy9 h ILE 130 Cb 0.74 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.68 1sy9 h ILE 130 CO 1.22 0.44 0.54 -2.24 0.00 0.00 0.00 178.15 178.11 1sy9 h ASP 131 N 0.94 0.85 0.00 1.72 3.04 -1.96 -3.46 116.42 117.55 1sy9 h ASP 131 Ca 0.15 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.93 1sy9 h ASP 131 Cb 0.65 -0.19 0.00 0.00 -1.04 0.00 0.00 39.33 38.75 1sy9 h ASP 131 CO 0.04 0.58 0.00 0.61 -2.04 0.00 0.00 179.24 178.43 1sy9 n GLY 132 N -1.42 0.78 0.07 7.15 0.00 -1.15 -4.96 105.19 105.66 1sy9 n GLY 132 Ca 0.11 -0.34 0.13 0.00 0.00 0.00 0.00 46.02 45.91 1sy9 n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sy9 n ASP 133 N 0.63 0.59 0.00 1.61 5.75 -1.26 -4.92 116.55 118.95 1sy9 n ASP 133 Ca 0.00 0.41 0.00 0.00 -0.01 0.00 0.00 54.79 55.19 1sy9 n ASP 133 Cb 0.00 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 39.63 1sy9 n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sy9 n GLY 134 N 1.37 0.75 2.97 6.12 0.00 -1.26 -5.05 105.19 110.09 1sy9 n GLY 134 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.50 0.42 -0.20 1.61 -0.21 -1.26 -4.90 119.66 114.62 1sy9 s GLN 135 Ca 0.00 -0.28 -0.16 0.00 0.02 0.00 0.00 55.36 54.94 1sy9 s GLN 135 Cb 0.00 -0.36 -0.04 0.00 1.00 0.00 0.00 33.01 33.61 1sy9 s GLN 135 CO 0.00 0.09 0.41 0.08 -2.12 0.00 0.00 175.29 173.76 1sy9 s VAL 136 N -0.35 5.19 0.65 1.09 1.01 -1.26 -4.87 120.40 121.86 1sy9 s VAL 136 Ca -0.00 0.73 0.06 0.00 0.00 0.00 0.00 61.98 62.77 1sy9 s VAL 136 Cb -0.03 -3.74 0.11 0.00 0.00 0.00 0.00 36.38 32.72 1sy9 s VAL 136 CO -0.00 0.24 0.89 0.20 0.00 0.00 0.00 175.10 176.43 1sy9 s ASN 137 N 1.06 4.74 0.05 3.32 0.01 -1.26 -3.05 114.94 119.82 1sy9 s ASN 137 Ca 0.20 -0.76 -0.24 0.00 -0.71 0.00 0.00 52.86 51.34 1sy9 s ASN 137 Cb -0.15 0.35 -0.17 0.00 0.41 0.00 0.00 41.25 41.70 1sy9 s ASN 137 CO 0.08 -1.61 1.59 0.22 -1.51 0.00 0.00 177.10 175.87 1sy9 h TYR 138 N -0.13 -0.01 -0.47 2.20 3.20 -1.98 0.38 116.97 120.17 1sy9 h TYR 138 Ca -0.30 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.54 1sy9 h TYR 138 Cb 1.28 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.53 1sy9 h TYR 138 CO 0.19 0.15 0.19 0.93 -1.64 0.00 0.00 178.16 177.98 1sy9 h GLU 139 N -0.16 0.70 -0.49 1.82 4.39 -1.98 -2.51 114.58 116.34 1sy9 h GLU 139 Ca -0.00 -0.13 -0.10 0.00 0.34 0.00 0.00 59.36 59.47 1sy9 h GLU 139 Cb 0.16 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 1sy9 h GLU 139 CO 0.00 0.63 -0.11 0.93 -1.16 0.00 0.00 179.01 179.31 1sy9 h GLU 140 N 0.61 0.91 -0.39 2.33 5.08 -1.87 -2.56 114.58 118.69 1sy9 h GLU 140 Ca 0.16 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1sy9 h GLU 140 Cb 0.19 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1sy9 h GLU 140 CO -0.01 0.97 0.26 0.35 -1.00 0.00 0.00 179.01 179.57 1sy9 h PHE 141 N 0.81 0.49 -0.35 4.33 3.57 -0.72 -2.63 116.94 122.45 1sy9 h PHE 141 Ca 0.13 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.48 1sy9 h PHE 141 Cb 0.63 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 1sy9 h PHE 141 CO 0.04 0.31 -0.41 0.28 -2.23 0.00 0.00 178.31 176.30 1sy9 h VAL 142 N 0.53 1.28 -0.27 1.41 2.07 -1.38 -3.09 116.25 116.79 1sy9 h VAL 142 Ca 0.14 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 66.08 1sy9 h VAL 142 Cb -0.06 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1sy9 h VAL 142 CO -0.03 0.53 0.18 -0.61 0.02 0.00 0.00 177.57 177.65 1sy9 h GLN 143 N 0.71 0.35 -0.74 1.57 4.15 -1.31 -1.54 115.11 118.31 1sy9 h GLN 143 Ca 0.05 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.46 1sy9 h GLN 143 Cb 1.00 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.57 1sy9 h GLN 143 CO 0.10 0.23 0.49 1.98 -1.93 0.00 0.00 178.83 179.70 1sy9 h MET 144 N 0.36 0.96 -0.60 1.69 4.05 -1.51 0.45 114.93 120.33 1sy9 h MET 144 Ca 0.10 -0.06 -0.10 0.00 -0.28 0.00 0.00 59.70 59.36 1sy9 h MET 144 Cb -0.04 -0.22 -0.02 0.00 -0.80 0.00 0.00 31.60 30.52 1sy9 h MET 144 CO -0.02 0.64 -0.02 0.52 0.23 0.00 0.00 176.91 178.26 1sy9 h MET 145 N 0.99 1.08 -0.07 0.39 2.86 -1.35 -2.50 114.93 116.33 1sy9 h MET 145 Ca 0.27 -0.35 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1sy9 h MET 145 Cb -0.11 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.46 1sy9 h MET 145 CO -0.06 1.06 0.00 2.41 1.06 0.00 0.00 176.91 181.38 1sy9 n THR 146 N -4.17 0.09 -1.78 2.22 -1.04 -0.62 -4.91 114.28 104.06 1sy9 n THR 146 Ca 0.03 -0.20 -0.41 0.00 -2.04 0.00 0.00 64.05 61.43 1sy9 n THR 146 Cb 0.36 0.13 -0.00 0.00 -1.82 0.00 0.00 70.33 69.00 1sy9 n THR 146 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sy9 s ALA 147 N -1.91 3.63 -2.51 2.41 0.00 0.08 -5.06 121.76 118.39 1sy9 s ALA 147 Ca 0.34 1.60 0.20 0.00 0.00 0.00 0.00 51.96 54.10 1sy9 s ALA 147 Cb 0.18 -3.63 0.16 0.00 0.00 0.00 0.00 23.12 19.83 1sy9 s ALA 147 CO 0.28 -1.07 1.14 1.63 0.00 0.00 0.00 175.76 177.74