#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sy9 s ASP 2 N 0.00 6.85 0.27 0.00 -1.08 -1.26 -4.83 116.67 116.61 1sy9 s ASP 2 Ca 0.00 -2.52 -0.05 0.00 -0.52 0.00 0.00 52.55 49.47 1sy9 s ASP 2 Cb 0.00 -2.39 0.32 0.00 -1.46 0.00 0.00 42.92 39.39 1sy9 s ASP 2 CO 0.00 -0.90 1.94 1.56 0.52 0.00 0.00 175.17 178.30 1sy9 h GLN 3 N 8.01 1.25 -1.01 4.34 4.20 -2.04 -2.46 115.11 127.41 1sy9 h GLN 3 Ca 0.23 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.87 1sy9 h GLN 3 Cb 0.95 -0.28 -0.05 0.00 0.30 0.00 0.00 27.48 28.40 1sy9 h GLN 3 CO 1.16 0.83 0.67 -0.07 -0.67 0.00 0.00 178.83 180.75 1sy9 h LEU 4 N 1.29 1.15 -7.07 1.46 3.38 -2.09 -3.39 115.31 110.04 1sy9 h LEU 4 Ca 0.35 -0.03 -0.52 0.00 0.09 0.00 0.00 57.88 57.77 1sy9 h LEU 4 Cb -0.14 -0.29 -0.40 0.00 0.09 0.00 0.00 40.66 39.92 1sy9 h LEU 4 CO -0.08 0.83 -0.76 0.42 0.09 0.00 0.00 178.44 178.94 1sy9 s THR 5 N -6.12 0.31 -0.68 0.22 -4.23 -0.93 -4.98 115.64 99.23 1sy9 s THR 5 Ca -0.13 -0.69 0.25 0.00 -1.18 0.00 0.00 61.69 59.94 1sy9 s THR 5 Cb 0.18 -1.05 0.24 0.00 1.34 0.00 0.00 72.50 73.21 1sy9 s THR 5 CO 0.82 -0.45 1.66 -0.33 -0.54 0.00 0.00 174.62 175.78 1sy9 h GLU 6 N 8.29 0.00 -0.79 3.99 5.08 -1.76 -3.34 114.58 126.05 1sy9 h GLU 6 Ca -0.16 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.32 1sy9 h GLU 6 Cb 1.08 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.24 1sy9 h GLU 6 CO 0.38 0.00 0.39 0.93 -1.00 0.00 0.00 179.01 179.71 1sy9 h GLU 7 N 0.00 0.58 0.00 2.33 5.08 -1.93 0.10 114.58 120.73 1sy9 h GLU 7 Ca 0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1sy9 h GLU 7 Cb 0.77 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1sy9 h GLU 7 CO 0.00 0.38 -0.05 1.96 -1.00 0.00 0.00 179.01 180.30 1sy9 h GLN 8 N 0.59 0.00 0.08 2.33 4.20 -1.96 -3.22 115.11 117.14 1sy9 h GLN 8 Ca 0.42 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.13 1sy9 h GLN 8 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1sy9 h GLN 8 CO -0.34 0.05 -0.04 0.82 -0.67 0.00 0.00 178.83 178.66 1sy9 h ILE 9 N 0.00 0.97 -0.54 2.54 1.08 -0.99 -2.65 117.51 117.92 1sy9 h ILE 9 Ca -0.00 -0.16 -0.01 0.00 -0.39 0.00 0.00 64.86 64.30 1sy9 h ILE 9 Cb 0.54 1.07 -0.03 0.00 -3.07 0.00 0.00 36.82 35.34 1sy9 h ILE 9 CO 0.01 0.04 0.27 0.00 -0.69 0.00 0.00 178.15 177.78 1sy9 h ALA 10 N 0.73 1.47 -0.46 1.87 0.00 -1.57 -2.73 119.26 118.57 1sy9 h ALA 10 Ca -0.01 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1sy9 h ALA 10 Cb 0.15 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1sy9 h ALA 10 CO 0.02 0.43 0.30 0.93 0.00 0.00 0.00 179.25 180.93 1sy9 h GLU 11 N 0.75 0.60 0.00 0.00 5.08 -1.55 -1.72 114.58 117.74 1sy9 h GLU 11 Ca 0.19 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1sy9 h GLU 11 Cb 0.06 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1sy9 h GLU 11 CO -0.03 0.40 -0.07 0.74 -1.00 0.00 0.00 179.01 179.05 1sy9 h PHE 12 N 0.62 0.00 -0.39 4.33 0.04 -1.16 -2.37 116.94 118.00 1sy9 h PHE 12 Ca 0.17 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.82 1sy9 h PHE 12 Cb -0.07 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 1sy9 h PHE 12 CO -0.04 0.07 -0.22 0.87 -0.60 0.00 0.00 178.31 178.38 1sy9 h LYS 13 N 0.00 0.83 0.26 1.51 1.79 -1.20 -2.10 116.57 117.66 1sy9 h LYS 13 Ca -0.00 -0.38 -0.01 0.00 -2.18 0.00 0.00 60.65 58.08 1sy9 h LYS 13 Cb 0.29 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1sy9 h LYS 13 CO 0.01 1.01 -0.12 0.93 -1.08 0.00 0.00 179.45 180.20 1sy9 h GLU 14 N 0.64 -0.34 0.00 3.15 5.08 -1.28 -2.74 114.58 119.09 1sy9 h GLU 14 Ca 0.08 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1sy9 h GLU 14 Cb 0.78 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 1sy9 h GLU 14 CO 0.06 -0.22 -0.14 0.00 -1.00 0.00 0.00 179.01 177.71 1sy9 h ALA 15 N 0.40 1.11 -0.38 3.43 0.00 -1.55 -3.15 119.26 119.11 1sy9 h ALA 15 Ca -0.04 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.80 1sy9 h ALA 15 Cb 0.27 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1sy9 h ALA 15 CO 0.06 0.18 0.11 0.35 0.00 0.00 0.00 179.25 179.95 1sy9 h PHE 16 N 0.00 0.20 -0.89 0.00 3.04 -1.05 0.34 116.94 118.57 1sy9 h PHE 16 Ca -0.00 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.97 1sy9 h PHE 16 Cb 0.52 -0.03 -0.04 0.00 2.56 0.00 0.00 35.95 38.96 1sy9 h PHE 16 CO 0.00 0.06 0.54 0.77 -2.02 0.00 0.00 178.31 177.67 1sy9 h SER 17 N 0.26 1.07 -0.76 0.41 0.02 -1.60 0.46 113.55 113.40 1sy9 h SER 17 Ca 0.18 -0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 61.01 1sy9 h SER 17 Cb 0.18 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 1sy9 h SER 17 CO -0.20 0.81 0.26 0.25 -1.14 0.00 0.00 176.83 176.81 1sy9 h LEU 18 N 1.23 1.10 -0.41 5.07 5.85 -1.26 -2.48 115.31 124.41 1sy9 h LEU 18 Ca 0.32 -0.20 -0.16 0.00 0.84 0.00 0.00 57.88 58.68 1sy9 h LEU 18 Cb -0.06 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.67 1sy9 h LEU 18 CO -0.06 1.00 -0.40 -0.26 -0.34 0.00 0.00 178.44 178.38 1sy9 h PHE 19 N 1.13 1.09 -2.98 1.25 0.04 0.66 -3.38 116.94 114.75 1sy9 h PHE 19 Ca 0.25 -0.33 -0.72 0.00 2.80 0.00 0.00 57.97 59.97 1sy9 h PHE 19 Cb 0.29 -0.23 -0.21 0.00 2.20 0.00 0.00 35.95 38.00 1sy9 h PHE 19 CO 0.02 1.15 0.18 0.34 -0.60 0.00 0.00 178.31 179.41 1sy9 s ASP 20 N -6.86 6.32 0.39 2.17 -1.08 0.15 -4.79 116.67 112.98 1sy9 s ASP 20 Ca -0.11 -1.72 0.10 0.00 -0.52 0.00 0.00 52.55 50.30 1sy9 s ASP 20 Cb 0.11 -2.29 0.78 0.00 -1.46 0.00 0.00 42.92 40.06 1sy9 s ASP 20 CO 0.88 -1.01 1.91 0.11 0.52 0.00 0.00 175.17 177.58 1sy9 h LYS 21 N 8.92 0.23 0.00 4.34 1.57 -1.75 -2.60 116.57 127.28 1sy9 h LYS 21 Ca -0.18 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1sy9 h LYS 21 Cb 1.07 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1sy9 h LYS 21 CO 1.05 0.38 -0.03 -0.25 -0.57 0.00 0.00 179.45 180.03 1sy9 n ASP 22 N -4.27 0.03 -1.96 0.86 8.00 -1.26 -4.89 116.55 113.06 1sy9 n ASP 22 Ca -0.01 0.46 -0.17 0.00 0.71 0.00 0.00 54.79 55.78 1sy9 n ASP 22 Cb 0.27 -0.46 -0.04 0.00 -0.02 0.00 0.00 41.12 40.87 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 1.50 0.54 0.01 0.44 0.00 -0.98 -4.81 105.19 101.90 1sy9 n GLY 23 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.44 0.39 0.00 1.61 5.75 -1.26 -4.93 116.55 116.66 1sy9 n ASP 24 Ca -0.19 -0.09 0.00 0.00 -0.01 0.00 0.00 54.79 54.51 1sy9 n ASP 24 Cb 0.61 0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 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 1.49 0.68 3.06 6.12 0.00 -1.26 -5.08 105.19 110.19 1sy9 n GLY 25 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.00 0.02 -0.27 2.61 -4.23 -1.26 -4.42 115.64 106.09 1sy9 s THR 26 Ca 0.00 -0.14 -0.11 0.00 -1.18 0.00 0.00 61.69 60.26 1sy9 s THR 26 Cb 0.00 -0.28 -0.05 0.00 1.34 0.00 0.00 72.50 73.51 1sy9 s THR 26 CO 0.00 -0.07 0.19 -0.63 -0.54 0.00 0.00 174.62 173.56 1sy9 s ILE 27 N -0.20 5.32 -0.08 2.99 -1.09 -1.22 -4.88 121.20 122.04 1sy9 s ILE 27 Ca -0.03 0.18 -0.05 0.00 -2.23 0.00 0.00 60.65 58.52 1sy9 s ILE 27 Cb -0.02 -3.53 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 1sy9 s ILE 27 CO 0.00 0.27 0.14 0.42 -1.23 0.00 0.00 174.94 174.54 1sy9 s THR 28 N 1.62 5.33 0.49 2.92 -4.23 -1.26 -3.96 115.64 116.55 1sy9 s THR 28 Ca 0.07 0.02 0.39 0.00 -1.18 0.00 0.00 61.69 60.99 1sy9 s THR 28 Cb -0.15 -3.37 0.59 0.00 1.34 0.00 0.00 72.50 70.91 1sy9 s THR 28 CO 0.10 0.52 1.62 0.71 -0.54 0.00 0.00 174.62 177.02 1sy9 h THR 29 N 3.62 0.10 0.08 3.99 1.35 -1.92 0.39 112.91 120.53 1sy9 h THR 29 Ca -0.53 -0.01 -0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1sy9 h THR 29 Cb 1.21 0.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1sy9 h THR 29 CO 0.61 0.01 -0.04 0.11 -0.25 0.00 0.00 175.52 175.96 1sy9 h LYS 30 N 0.04 -0.11 0.48 4.72 1.57 -1.98 -1.91 116.57 119.39 1sy9 h LYS 30 Ca 0.85 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.61 1sy9 h LYS 30 Cb 3.03 0.02 0.00 0.00 0.08 0.00 0.00 32.23 35.37 1sy9 h LYS 30 CO -0.23 0.14 -0.23 0.93 -0.57 0.00 0.00 179.45 179.49 1sy9 h GLU 31 N -0.35 -0.63 -0.54 3.15 5.08 -0.61 -2.91 114.58 117.78 1sy9 h GLU 31 Ca -0.01 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1sy9 h GLU 31 Cb 0.30 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1sy9 h GLU 31 CO 0.02 -0.42 0.35 1.25 -1.00 0.00 0.00 179.01 179.21 1sy9 h LEU 32 N -0.65 0.62 -1.95 1.33 5.85 -1.52 -2.22 115.31 116.76 1sy9 h LEU 32 Ca -0.07 -0.02 0.29 0.00 0.84 0.00 0.00 57.88 58.92 1sy9 h LEU 32 Cb 0.50 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1sy9 h LEU 32 CO 0.11 0.45 0.71 1.23 -0.34 0.00 0.00 178.44 180.60 1sy9 h GLY 33 N 0.73 0.08 1.14 3.75 0.00 -1.13 0.14 103.07 107.79 1sy9 h GLY 33 Ca 0.20 -0.02 -0.17 0.00 0.00 0.00 0.00 47.33 47.35 1sy9 h GLY 33 CO -0.04 -0.01 -0.41 -0.84 0.00 0.00 0.00 176.54 175.24 1sy9 h THR 34 N 0.03 1.27 0.08 4.70 2.02 -1.45 -2.02 112.91 117.54 1sy9 h THR 34 Ca 0.48 -1.59 -0.00 0.00 0.77 0.00 0.00 66.41 66.07 1sy9 h THR 34 Cb 1.86 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 69.69 1sy9 h THR 34 CO -0.02 0.53 -0.04 0.58 0.37 0.00 0.00 175.52 176.94 1sy9 h VAL 35 N 0.76 1.07 -0.31 3.16 2.07 -0.85 -2.42 116.25 119.72 1sy9 h VAL 35 Ca 0.05 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1sy9 h VAL 35 Cb 1.01 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 1sy9 h VAL 35 CO 0.10 0.13 0.20 0.24 0.02 0.00 0.00 177.57 178.27 1sy9 h MET 36 N -0.35 0.40 -0.74 1.57 2.86 -1.50 -1.03 114.93 116.13 1sy9 h MET 36 Ca -0.01 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1sy9 h MET 36 Cb 0.30 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 1sy9 h MET 36 CO 0.02 0.27 0.41 -0.09 1.06 0.00 0.00 176.91 178.57 1sy9 h ARG 37 N 0.41 1.03 0.00 1.72 1.12 -0.71 -1.32 114.38 116.64 1sy9 h ARG 37 Ca 0.11 -0.12 0.00 0.00 -1.11 0.00 0.00 59.98 58.86 1sy9 h ARG 37 Cb -0.04 -0.20 0.00 0.00 -0.01 0.00 0.00 29.97 29.71 1sy9 h ARG 37 CO -0.02 0.77 0.00 1.03 -3.11 0.00 0.00 179.97 178.63 1sy9 h SER 38 N 1.02 0.00 0.87 -3.80 0.87 -0.72 -2.90 113.55 108.89 1sy9 h SER 38 Ca 0.26 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1sy9 h SER 38 Cb 0.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1sy9 h SER 38 CO -0.04 0.00 -0.82 0.25 -0.53 0.00 0.00 176.83 175.68 1sy9 h LEU 39 N 0.00 0.00 0.00 2.23 5.85 -0.58 -3.47 115.31 119.34 1sy9 h LEU 39 Ca 0.00 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1sy9 h LEU 39 Cb 0.58 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1sy9 h LEU 39 CO 0.00 0.07 0.00 0.61 -0.34 0.00 0.00 178.44 178.78 1sy9 n GLY 40 N 1.27 -0.45 3.86 3.75 0.00 -0.62 -4.99 105.19 108.01 1sy9 n GLY 40 Ca 0.02 0.25 -0.07 0.00 0.00 0.00 0.00 46.02 46.21 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 1.78 -0.19 1.61 -2.07 -0.76 -4.90 119.66 115.13 1sy9 s GLN 41 Ca 0.00 -0.99 -0.05 0.00 -1.82 0.00 0.00 55.36 52.50 1sy9 s GLN 41 Cb 0.00 0.61 -0.03 0.00 -1.09 0.00 0.00 33.01 32.50 1sy9 s GLN 41 CO 0.00 -0.82 0.01 1.21 -1.32 0.00 0.00 175.29 174.37 1sy9 s ASN 42 N -2.92 4.95 0.00 12.60 2.47 -1.26 -1.98 114.94 128.80 1sy9 s ASN 42 Ca 0.11 -0.15 0.00 0.00 0.42 0.00 0.00 52.86 53.24 1sy9 s ASN 42 Cb -0.06 -1.84 0.00 0.00 -1.45 0.00 0.00 41.25 37.90 1sy9 s ASN 42 CO 0.07 0.09 0.00 -0.81 -3.72 0.00 0.00 177.10 172.73 1sy9 n PRO 43 N 4.08 2.61 -4.04 0.43 -0.04 -1.26 -4.99 135.00 131.79 1sy9 n PRO 43 Ca -0.17 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.18 1sy9 n PRO 43 Cb 0.52 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.87 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 0.39 0.62 0.52 -4.23 -1.26 -5.00 115.64 106.68 1sy9 s THR 44 Ca 0.00 -1.05 0.29 0.00 -1.18 0.00 0.00 61.69 59.75 1sy9 s THR 44 Cb 0.00 -0.52 0.35 0.00 1.34 0.00 0.00 72.50 73.66 1sy9 s THR 44 CO 0.00 -0.44 1.92 -0.33 -0.54 0.00 0.00 174.62 175.23 1sy9 h GLU 45 N 4.50 0.00 0.38 3.99 5.08 -1.97 0.82 114.58 127.38 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 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1sy9 h GLU 45 CO 0.42 0.00 -0.18 0.00 -1.00 0.00 0.00 179.01 178.24 1sy9 h ALA 46 N 1.44 -0.51 -0.40 3.43 0.00 -2.00 -2.85 119.26 118.37 1sy9 h ALA 46 Ca 0.12 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1sy9 h ALA 46 Cb 0.91 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1sy9 h ALA 46 CO -0.00 -0.48 -0.21 1.49 0.00 0.00 0.00 179.25 180.05 1sy9 h GLU 47 N -1.13 0.79 -0.52 0.00 4.81 -1.76 -2.68 114.58 114.08 1sy9 h GLU 47 Ca -0.05 -0.32 0.08 0.00 -0.13 0.00 0.00 59.36 58.94 1sy9 h GLU 47 Cb 0.39 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 1sy9 h GLU 47 CO 0.09 0.93 0.35 -0.07 -0.73 0.00 0.00 179.01 179.58 1sy9 h LEU 48 N 0.69 0.33 -0.93 1.64 3.38 0.52 -1.22 115.31 119.73 1sy9 h LEU 48 Ca 0.10 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 1sy9 h LEU 48 Cb 0.73 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1sy9 h LEU 48 CO 0.06 0.21 -0.16 -0.61 0.09 0.00 0.00 178.44 178.02 1sy9 h GLN 49 N 0.38 0.59 -0.65 1.13 4.15 -1.22 -2.97 115.11 116.52 1sy9 h GLN 49 Ca 0.24 -0.20 -0.09 0.00 0.77 0.00 0.00 58.65 59.37 1sy9 h GLN 49 Cb 0.44 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 1sy9 h GLN 49 CO -0.06 0.73 0.06 0.22 -1.93 0.00 0.00 178.83 177.85 1sy9 h ASP 50 N 0.54 1.07 -0.46 -0.69 1.82 -1.24 -2.03 116.42 115.43 1sy9 h ASP 50 Ca 0.09 -0.28 0.00 0.00 -0.39 0.00 0.00 57.03 56.45 1sy9 h ASP 50 Cb 0.59 -0.29 -0.02 0.00 0.68 0.00 0.00 39.33 40.29 1sy9 h ASP 50 CO 0.04 1.09 0.30 0.24 -1.61 0.00 0.00 179.24 179.30 1sy9 h MET 51 N 1.02 0.60 -0.15 0.28 2.86 -1.40 -2.35 114.93 115.78 1sy9 h MET 51 Ca 0.19 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.70 1sy9 h MET 51 Cb 0.50 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1sy9 h MET 51 CO 0.02 0.40 -0.33 0.82 1.06 0.00 0.00 176.91 178.88 1sy9 h ILE 52 N 0.62 1.28 -1.00 -1.22 2.04 -1.43 -3.06 117.51 114.74 1sy9 h ILE 52 Ca 0.17 -1.36 0.01 0.00 1.00 0.00 0.00 64.86 64.67 1sy9 h ILE 52 Cb -0.07 1.53 -0.05 0.00 -0.74 0.00 0.00 36.82 37.49 1sy9 h ILE 52 CO -0.04 0.42 0.66 -1.13 0.00 0.00 0.00 178.15 178.06 1sy9 h ASN 53 N 0.27 1.15 0.48 1.72 -1.24 -0.82 0.92 115.58 118.06 1sy9 h ASN 53 Ca 0.03 -0.03 -0.05 0.00 0.71 0.00 0.00 56.30 56.96 1sy9 h ASN 53 Cb 0.72 -0.29 -0.01 0.00 0.73 0.00 0.00 38.32 39.48 1sy9 h ASN 53 CO 0.06 0.84 -0.23 -0.33 -1.29 0.00 0.00 177.43 176.47 1sy9 h GLU 54 N 1.36 0.00 -0.00 6.67 5.08 -1.41 -2.72 114.58 123.56 1sy9 h GLU 54 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1sy9 h GLU 54 Cb -0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1sy9 h GLU 54 CO -0.08 0.23 -0.99 0.28 -1.00 0.00 0.00 179.01 177.45 1sy9 n VAL 55 N -3.75 0.00 -2.16 3.13 0.31 -0.34 -4.86 118.33 110.65 1sy9 n VAL 55 Ca -0.01 -0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.93 1sy9 n VAL 55 Cb 0.34 0.99 -0.03 0.00 -0.91 0.00 0.00 33.84 34.22 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 -3.00 5.48 0.19 4.52 1.01 0.31 -4.83 116.67 120.35 1sy9 s ASP 56 Ca 0.08 0.12 -0.09 0.00 0.71 0.00 0.00 52.55 53.37 1sy9 s ASP 56 Cb 0.16 -2.54 0.09 0.00 1.01 0.00 0.00 42.92 41.64 1sy9 s ASP 56 CO 0.87 -2.25 1.67 0.00 0.21 0.00 0.00 175.17 175.66 1sy9 h ALA 57 N 13.69 0.87 0.00 5.23 0.00 -1.88 -3.08 119.26 134.09 1sy9 h ALA 57 Ca -0.25 -0.29 -0.23 0.00 0.00 0.00 0.00 54.91 54.14 1sy9 h ALA 57 Cb 1.13 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1sy9 h ALA 57 CO 1.23 0.67 -1.45 0.38 0.00 0.00 0.00 179.25 180.08 1sy9 h ASP 58 N 1.02 0.00 0.00 0.00 2.03 -1.95 -3.48 116.42 114.04 1sy9 h ASP 58 Ca 0.19 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.49 1sy9 h ASP 58 Cb 0.49 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.99 1sy9 h ASP 58 CO 0.02 0.83 0.00 0.61 -1.03 0.00 0.00 179.24 179.67 1sy9 n GLY 59 N 1.46 0.70 0.16 7.15 0.00 -1.17 -4.97 105.19 108.52 1sy9 n GLY 59 Ca -0.11 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 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 0.36 0.00 1.61 -1.07 -1.93 -3.47 115.58 111.07 1sy9 h ASN 60 Ca 0.00 -0.25 0.00 0.00 0.07 0.00 0.00 56.30 56.12 1sy9 h ASN 60 Cb 0.19 -0.11 0.00 0.00 -2.07 0.00 0.00 38.32 36.33 1sy9 h ASN 60 CO 0.00 1.00 0.00 0.61 0.07 0.00 0.00 177.43 179.11 1sy9 n GLY 61 N 0.63 0.83 3.35 9.14 0.00 -1.26 -5.12 105.19 112.76 1sy9 n GLY 61 Ca -0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.80 0.73 -0.24 2.61 -4.23 -1.26 -4.93 115.64 106.51 1sy9 s THR 62 Ca 0.00 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.44 1sy9 s THR 62 Cb 0.00 -2.68 -0.03 0.00 1.34 0.00 0.00 72.50 71.13 1sy9 s THR 62 CO 0.00 0.00 0.06 -0.63 -0.54 0.00 0.00 174.62 173.51 1sy9 s ILE 63 N -3.63 4.23 0.41 2.99 1.01 -1.25 -4.77 121.20 120.18 1sy9 s ILE 63 Ca 0.37 -0.20 0.08 0.00 0.00 0.00 0.00 60.65 60.90 1sy9 s ILE 63 Cb 0.08 -2.97 0.00 0.00 0.01 0.00 0.00 42.46 39.58 1sy9 s ILE 63 CO 0.14 0.35 0.54 -1.81 0.00 0.00 0.00 174.94 174.16 1sy9 s ASP 64 N 1.55 5.64 0.21 3.58 1.01 -1.26 -3.45 116.67 123.94 1sy9 s ASP 64 Ca 0.06 -0.42 -0.18 0.00 0.71 0.00 0.00 52.55 52.72 1sy9 s ASP 64 Cb -0.15 -0.72 0.19 0.00 1.01 0.00 0.00 42.92 43.26 1sy9 s ASP 64 CO 0.03 -0.71 1.59 -0.26 0.21 0.00 0.00 175.17 176.03 1sy9 h PHE 65 N 0.71 -0.76 -0.05 4.23 0.04 -2.00 -0.03 116.94 119.08 1sy9 h PHE 65 Ca -0.41 0.07 -0.08 0.00 2.80 0.00 0.00 57.97 60.35 1sy9 h PHE 65 Cb 1.28 0.44 -0.01 0.00 2.20 0.00 0.00 35.95 39.85 1sy9 h PHE 65 CO 0.41 -0.36 -0.35 -1.00 -0.60 0.00 0.00 178.31 176.41 1sy9 h PRO 66 N -0.09 0.10 -0.22 1.51 0.13 -1.98 -2.63 132.00 128.81 1sy9 h PRO 66 Ca 0.28 -0.04 -0.18 0.00 -0.87 0.00 0.00 66.00 65.19 1sy9 h PRO 66 Cb 0.55 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.68 1sy9 h PRO 66 CO -0.74 0.44 -0.58 0.93 -0.23 0.00 0.00 178.00 177.82 1sy9 h GLU 67 N 0.09 0.78 -0.61 0.86 5.08 -1.41 -3.00 114.58 116.36 1sy9 h GLU 67 Ca 0.01 -0.55 -0.09 0.00 -1.00 0.00 0.00 59.36 57.73 1sy9 h GLU 67 Cb 0.66 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1sy9 h GLU 67 CO 0.05 1.17 0.01 0.35 -1.00 0.00 0.00 179.01 179.59 1sy9 h PHE 68 N 0.52 1.17 -0.61 4.33 3.57 -0.97 -3.00 116.94 121.95 1sy9 h PHE 68 Ca -0.01 -0.20 -0.10 0.00 3.53 0.00 0.00 57.97 61.19 1sy9 h PHE 68 Cb 1.20 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 1sy9 h PHE 68 CO 0.08 1.02 -0.01 -0.07 -2.23 0.00 0.00 178.31 177.11 1sy9 h LEU 69 N 0.98 1.06 -0.64 0.59 3.38 -1.51 -2.72 115.31 116.46 1sy9 h LEU 69 Ca 0.18 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1sy9 h LEU 69 Cb 0.55 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1sy9 h LEU 69 CO 0.03 1.11 0.19 0.71 0.09 0.00 0.00 178.44 180.56 1sy9 h THR 70 N 0.98 1.25 -0.49 0.22 1.35 -1.48 -2.81 112.91 111.93 1sy9 h THR 70 Ca 0.17 -0.88 -0.13 0.00 -0.55 0.00 0.00 66.41 65.03 1sy9 h THR 70 Cb 0.57 0.60 -0.01 0.00 -1.73 0.00 0.00 68.15 67.58 1sy9 h THR 70 CO 0.03 0.33 -0.20 -0.03 -0.25 0.00 0.00 175.52 175.41 1sy9 h MET 71 N 0.93 1.00 -0.49 4.72 1.85 -1.47 -2.25 114.93 119.21 1sy9 h MET 71 Ca 0.20 -0.42 0.01 0.00 -0.61 0.00 0.00 59.70 58.88 1sy9 h MET 71 Cb 0.31 -0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.28 1sy9 h MET 71 CO -0.00 1.10 0.33 1.98 -0.40 0.00 0.00 176.91 179.91 1sy9 h MET 72 N 0.85 0.65 -0.04 0.39 -1.53 -1.38 -0.78 114.93 113.09 1sy9 h MET 72 Ca 0.11 -0.04 -0.09 0.00 -3.44 0.00 0.00 59.70 56.25 1sy9 h MET 72 Cb 0.78 -0.15 -0.01 0.00 -0.55 0.00 0.00 31.60 31.67 1sy9 h MET 72 CO 0.06 0.43 -0.37 0.00 0.14 0.00 0.00 176.91 177.17 1sy9 h ALA 73 N 1.18 1.31 -0.36 0.39 0.00 -1.46 -2.95 119.26 117.37 1sy9 h ALA 73 Ca 0.18 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 1sy9 h ALA 73 Cb -0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1sy9 h ALA 73 CO -0.04 0.50 -0.42 -0.09 0.00 0.00 0.00 179.25 179.21 1sy9 h ARG 74 N 0.07 0.91 -0.42 0.00 9.65 -0.73 -3.24 114.38 120.62 1sy9 h ARG 74 Ca 0.01 -0.49 -0.08 0.00 -1.10 0.00 0.00 59.98 58.31 1sy9 h ARG 74 Cb 0.70 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.28 1sy9 h ARG 74 CO 0.05 1.14 -0.07 0.87 2.80 0.00 0.00 179.97 184.77 1sy9 h LYS 75 N 0.73 0.72 -0.00 0.20 1.79 -1.00 -2.76 116.57 116.25 1sy9 h LYS 75 Ca 0.05 -0.22 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 1sy9 h LYS 75 Cb 1.01 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 31.58 1sy9 h LYS 75 CO 0.10 0.79 -0.01 0.52 -1.08 0.00 0.00 179.45 179.77 1sy9 h MET 76 N 0.67 -0.01 -0.33 3.15 2.86 -1.56 0.37 114.93 120.07 1sy9 h MET 76 Ca 0.12 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.60 1sy9 h MET 76 Cb 0.52 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 1sy9 h MET 76 CO 0.03 -0.01 -0.42 1.57 1.06 0.00 0.00 176.91 179.14 1sy9 h LYS 77 N -0.01 0.84 -0.46 1.72 2.10 -1.65 -3.15 116.57 115.95 1sy9 h LYS 77 Ca 0.01 -0.46 -0.14 0.00 -2.00 0.00 0.00 60.65 58.06 1sy9 h LYS 77 Cb 0.02 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.36 1sy9 h LYS 77 CO -0.01 1.10 -0.26 -0.44 -2.00 0.00 0.00 179.45 177.83 1sy9 h ASP 78 N 0.68 1.03 -4.67 7.07 3.32 -1.36 -3.45 116.42 119.03 1sy9 h ASP 78 Ca 0.05 -0.42 -0.13 0.00 0.02 0.00 0.00 57.03 56.55 1sy9 h ASP 78 Cb 1.00 -0.29 0.01 0.00 0.22 0.00 0.00 39.33 40.27 1sy9 h ASP 78 CO 0.10 1.22 -0.02 0.41 -1.72 0.00 0.00 179.24 179.23 1sy9 n THR 79 N -4.10 0.00 -4.31 0.35 -1.04 0.13 -5.09 114.28 100.22 1sy9 n THR 79 Ca -0.01 -0.52 -0.20 0.00 -2.04 0.00 0.00 64.05 61.28 1sy9 n THR 79 Cb 0.49 -0.85 -0.13 0.00 -1.82 0.00 0.00 70.33 68.02 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 -1.96 1.78 0.55 8.00 1.01 -1.26 -4.77 116.67 120.02 1sy9 s ASP 80 Ca 0.16 -0.52 0.22 0.00 0.71 0.00 0.00 52.55 53.12 1sy9 s ASP 80 Cb -0.01 -0.10 1.53 0.00 1.01 0.00 0.00 42.92 45.35 1sy9 s ASP 80 CO 0.10 0.01 2.20 -1.28 0.21 0.00 0.00 175.17 176.41 1sy9 h SER 81 N 4.68 0.00 -0.68 0.27 0.87 -1.97 -1.07 113.55 115.65 1sy9 h SER 81 Ca -0.40 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.17 1sy9 h SER 81 Cb 1.18 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.11 1sy9 h SER 81 CO 0.42 0.00 0.45 -0.33 -0.53 0.00 0.00 176.83 176.84 1sy9 h GLU 82 N 0.00 0.89 -0.37 2.24 5.08 -1.99 0.05 114.58 120.47 1sy9 h GLU 82 Ca 0.00 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.14 1sy9 h GLU 82 Cb 0.01 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1sy9 h GLU 82 CO -0.00 0.59 -0.41 0.93 -1.00 0.00 0.00 179.01 179.12 1sy9 h GLU 83 N 0.92 0.93 -0.28 2.33 5.08 -1.61 -2.64 114.58 119.31 1sy9 h GLU 83 Ca 0.25 -0.51 -0.15 0.00 -1.00 0.00 0.00 59.36 57.95 1sy9 h GLU 83 Cb -0.11 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1sy9 h GLU 83 CO -0.05 1.16 -0.44 0.93 -1.00 0.00 0.00 179.01 179.61 1sy9 h GLU 84 N 0.76 0.70 0.28 2.33 5.08 -1.31 -2.75 114.58 119.66 1sy9 h GLU 84 Ca 0.06 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 1sy9 h GLU 84 Cb 1.01 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1sy9 h GLU 84 CO 0.10 1.00 -0.14 0.82 -1.00 0.00 0.00 179.01 179.79 1sy9 h ILE 85 N 0.56 0.75 -1.01 3.13 2.04 -0.98 -1.69 117.51 120.32 1sy9 h ILE 85 Ca 0.04 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.40 1sy9 h ILE 85 Cb 0.99 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 38.05 1sy9 h ILE 85 CO 0.09 0.10 0.67 0.08 0.00 0.00 0.00 178.15 179.09 1sy9 h ARG 86 N -0.66 1.33 -0.43 2.37 0.11 -1.54 -2.11 114.38 113.45 1sy9 h ARG 86 Ca -0.04 -0.08 -0.13 0.00 0.10 0.00 0.00 59.98 59.83 1sy9 h ARG 86 Cb 0.46 -0.30 -0.01 0.00 1.11 0.00 0.00 29.97 31.23 1sy9 h ARG 86 CO 0.06 0.88 -0.24 0.93 0.10 0.00 0.00 179.97 181.70 1sy9 h GLU 87 N 1.36 0.92 -0.39 0.08 5.08 -1.49 -2.65 114.58 117.49 1sy9 h GLU 87 Ca 0.37 -0.41 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1sy9 h GLU 87 Cb -0.16 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 1sy9 h GLU 87 CO -0.08 1.07 0.06 0.00 -1.00 0.00 0.00 179.01 179.07 1sy9 h ALA 88 N 0.83 0.52 -0.82 3.43 0.00 -1.03 -2.21 119.26 119.99 1sy9 h ALA 88 Ca 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1sy9 h ALA 88 Cb 0.81 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1sy9 h ALA 88 CO 0.07 0.23 0.48 0.35 0.00 0.00 0.00 179.25 180.38 1sy9 h PHE 89 N 0.50 1.09 -0.82 0.00 3.04 -1.40 -2.19 116.94 117.16 1sy9 h PHE 89 Ca 0.12 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.07 1sy9 h PHE 89 Cb 0.37 -0.36 -0.04 0.00 2.56 0.00 0.00 35.95 38.48 1sy9 h PHE 89 CO 0.03 0.74 0.55 -0.09 -2.02 0.00 0.00 178.31 177.51 1sy9 h ARG 90 N 1.13 1.08 -0.29 1.11 2.43 -1.21 -0.49 114.38 118.15 1sy9 h ARG 90 Ca 0.29 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.29 1sy9 h ARG 90 Cb -0.01 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 1sy9 h ARG 90 CO -0.05 0.72 -0.23 0.28 -1.51 0.00 0.00 179.97 179.18 1sy9 h VAL 91 N 1.11 1.30 -0.38 0.20 2.07 -0.80 -3.23 116.25 116.53 1sy9 h VAL 91 Ca 0.30 -1.37 -0.15 0.00 0.82 0.00 0.00 66.70 66.30 1sy9 h VAL 91 Cb -0.13 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1sy9 h VAL 91 CO -0.07 0.44 -0.35 -0.26 0.02 0.00 0.00 177.57 177.35 1sy9 h PHE 92 N 0.40 1.04 -0.61 1.57 0.04 -1.11 -3.35 116.94 114.91 1sy9 h PHE 92 Ca 0.05 -0.30 -0.68 0.00 2.80 0.00 0.00 57.97 59.85 1sy9 h PHE 92 Cb 0.78 -0.22 -0.07 0.00 2.20 0.00 0.00 35.95 38.64 1sy9 h PHE 92 CO 0.07 1.10 2.42 -3.47 -0.60 0.00 0.00 178.31 177.83 1sy9 n ASP 93 N -4.06 4.57 -0.28 2.17 -0.08 -0.22 -4.76 116.55 113.88 1sy9 n ASP 93 Ca -0.02 -2.89 -0.04 0.00 -1.51 0.00 0.00 54.79 50.33 1sy9 n ASP 93 Cb 0.52 -1.72 0.07 0.00 2.34 0.00 0.00 41.12 42.33 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 7.23 1.02 0.00 -0.67 3.64 -1.78 -2.27 116.57 123.74 1sy9 h LYS 94 Ca 0.47 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 1sy9 h LYS 94 Cb 0.81 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1sy9 h LYS 94 CO 1.57 0.67 -0.19 0.38 -2.27 0.00 0.00 179.45 179.61 1sy9 h ASP 95 N 1.05 0.00 -5.58 4.20 2.03 -1.94 -3.48 116.42 112.69 1sy9 h ASP 95 Ca 0.28 -0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 56.38 1sy9 h ASP 95 Cb -0.12 0.00 0.11 0.00 -0.83 0.00 0.00 39.33 38.49 1sy9 h ASP 95 CO -0.06 0.00 -0.59 0.61 -1.03 0.00 0.00 179.24 178.17 1sy9 n GLY 96 N 1.12 -1.18 0.00 7.15 0.00 -0.86 -4.95 105.19 106.48 1sy9 n GLY 96 Ca 0.03 0.53 0.05 0.00 0.00 0.00 0.00 46.02 46.64 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 -2.63 0.66 0.00 1.61 6.94 -1.26 -4.99 115.26 115.58 1sy9 n ASN 97 Ca -0.06 -0.69 0.00 0.00 -0.02 0.00 0.00 54.58 53.81 1sy9 n ASN 97 Cb 0.58 1.04 0.00 0.00 -2.36 0.00 0.00 39.78 39.04 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 1.30 1.62 3.23 4.83 0.00 -1.26 -5.08 105.19 109.83 1sy9 n GLY 98 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.65 -0.10 -0.17 1.61 1.13 -1.26 -2.32 117.35 114.59 1sy9 s TYR 99 Ca 0.00 0.03 -0.21 0.00 -1.41 0.00 0.00 57.07 55.49 1sy9 s TYR 99 Cb 0.00 0.07 -0.03 0.00 -1.10 0.00 0.00 41.96 40.90 1sy9 s TYR 99 CO 0.00 -0.44 0.61 0.42 -2.51 0.00 0.00 175.55 173.63 1sy9 s ILE 100 N -2.07 5.05 0.82 -3.49 1.01 -0.96 -4.92 121.20 116.64 1sy9 s ILE 100 Ca -0.08 1.17 -0.12 0.00 0.00 0.00 0.00 60.65 61.62 1sy9 s ILE 100 Cb -0.03 -3.93 0.10 0.00 0.01 0.00 0.00 42.46 38.60 1sy9 s ILE 100 CO -0.00 0.16 1.17 -0.44 0.00 0.00 0.00 174.94 175.83 1sy9 s SER 101 N 1.07 4.34 0.20 3.58 0.01 -1.26 -3.98 113.70 117.65 1sy9 s SER 101 Ca 0.29 0.64 -0.09 0.00 1.31 0.00 0.00 55.95 58.10 1sy9 s SER 101 Cb -0.16 -1.09 0.12 0.00 0.21 0.00 0.00 66.02 65.10 1sy9 s SER 101 CO 0.11 -1.98 1.73 0.00 0.41 0.00 0.00 173.24 173.51 1sy9 h ALA 102 N -1.07 0.93 -0.64 1.44 0.00 -1.97 -2.32 119.26 115.63 1sy9 h ALA 102 Ca -0.45 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.18 1sy9 h ALA 102 Cb 1.31 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1sy9 h ALA 102 CO 0.61 0.61 0.17 0.00 0.00 0.00 0.00 179.25 180.64 1sy9 h ALA 103 N 1.10 1.09 -0.81 0.00 0.00 -2.00 -2.78 119.26 115.86 1sy9 h ALA 103 Ca 0.23 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1sy9 h ALA 103 Cb 0.31 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1sy9 h ALA 103 CO -0.01 0.61 0.38 0.93 0.00 0.00 0.00 179.25 181.16 1sy9 h GLU 104 N 0.95 1.17 -0.53 0.00 5.08 -1.79 -2.64 114.58 116.82 1sy9 h GLU 104 Ca 0.21 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1sy9 h GLU 104 Cb 0.32 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1sy9 h GLU 104 CO -0.00 0.90 0.25 1.25 -1.00 0.00 0.00 179.01 180.41 1sy9 h LEU 105 N 1.15 0.70 -1.66 1.33 6.46 -1.18 -2.52 115.31 119.59 1sy9 h LEU 105 Ca 0.28 -0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.90 1sy9 h LEU 105 Cb 0.13 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 39.86 1sy9 h LEU 105 CO -0.03 0.64 0.22 0.03 -0.62 0.00 0.00 178.44 178.68 1sy9 h ARG 106 N 0.71 0.44 -0.46 1.25 3.08 -1.33 -2.59 114.38 115.49 1sy9 h ARG 106 Ca 0.18 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1sy9 h ARG 106 Cb 0.13 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1sy9 h ARG 106 CO -0.02 0.30 0.29 0.45 -1.07 0.00 0.00 179.97 179.92 1sy9 h HIS 107 N 0.46 0.59 -0.19 3.04 3.86 -1.11 -2.42 115.15 119.38 1sy9 h HIS 107 Ca 0.12 0.01 -0.22 0.00 -1.16 0.00 0.00 60.37 59.13 1sy9 h HIS 107 Cb -0.05 -0.20 0.01 0.00 1.06 0.00 0.00 27.41 28.23 1sy9 h HIS 107 CO 0.00 0.39 -0.72 0.28 0.86 0.00 0.00 177.93 178.73 1sy9 h VAL 108 N 0.61 1.28 -0.14 2.45 2.07 -1.50 -2.30 116.25 118.72 1sy9 h VAL 108 Ca 0.17 -1.92 0.00 0.00 0.82 0.00 0.00 66.70 65.77 1sy9 h VAL 108 Cb -0.04 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1sy9 h VAL 108 CO -0.03 0.61 0.09 0.24 0.02 0.00 0.00 177.57 178.50 1sy9 h MET 109 N 0.57 0.18 -0.45 1.57 2.07 -1.38 0.14 114.93 117.62 1sy9 h MET 109 Ca -0.04 -0.01 -0.10 0.00 -2.07 0.00 0.00 59.70 57.49 1sy9 h MET 109 Cb 1.35 -0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 31.02 1sy9 h MET 109 CO 0.15 0.12 -0.09 1.15 1.07 0.00 0.00 176.91 179.31 1sy9 h THR 110 N 0.18 1.27 -0.14 2.22 2.02 -1.51 -2.50 112.91 114.46 1sy9 h THR 110 Ca 0.05 -1.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.02 1sy9 h THR 110 Cb -0.01 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1sy9 h THR 110 CO -0.02 0.41 0.03 0.78 0.37 0.00 0.00 175.52 177.10 1sy9 h ASN 111 N 0.71 0.17 0.20 4.18 2.35 -1.12 -0.96 115.58 121.11 1sy9 h ASN 111 Ca 0.12 -0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.75 1sy9 h ASN 111 Cb 0.63 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 1sy9 h ASN 111 CO 0.04 0.18 -0.41 -0.07 -1.65 0.00 0.00 177.43 175.52 1sy9 h LEU 112 N 0.19 0.29 0.00 1.61 3.38 -0.29 -3.47 115.31 117.01 1sy9 h LEU 112 Ca 0.05 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1sy9 h LEU 112 Cb 0.08 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1sy9 h LEU 112 CO -0.00 0.67 0.00 0.61 0.09 0.00 0.00 178.44 179.81 1sy9 n GLY 113 N -0.16 1.94 3.19 0.83 0.00 -0.36 -5.11 105.19 105.52 1sy9 n GLY 113 Ca -0.01 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 1.85 0.00 0.00 0.00 173.32 175.17 1sy9 s GLU 114 N -0.61 2.83 -0.30 1.61 2.12 -1.07 -5.05 118.70 118.22 1sy9 s GLU 114 Ca 0.00 -0.80 -0.18 0.00 0.36 0.00 0.00 54.97 54.34 1sy9 s GLU 114 Cb 0.00 -2.15 -0.02 0.00 0.26 0.00 0.00 34.13 32.22 1sy9 s GLU 114 CO 0.00 0.16 0.54 0.15 -0.54 0.00 0.00 175.26 175.56 1sy9 s LYS 115 N 0.39 3.88 0.11 4.30 -0.14 -1.26 -4.23 119.74 122.79 1sy9 s LYS 115 Ca -0.18 0.14 0.04 0.00 -1.36 0.00 0.00 55.97 54.61 1sy9 s LYS 115 Cb -0.18 -3.72 -0.04 0.00 -1.68 0.00 0.00 37.83 32.21 1sy9 s LYS 115 CO 0.08 -0.50 -0.10 -0.51 -0.76 0.00 0.00 175.35 173.56 1sy9 s LEU 116 N 2.41 2.46 0.61 3.17 1.43 -1.26 -5.15 118.68 122.33 1sy9 s LEU 116 Ca 0.21 -0.89 -0.08 0.00 -1.03 0.00 0.00 54.13 52.33 1sy9 s LEU 116 Cb -0.15 -0.30 -0.01 0.00 0.03 0.00 0.00 46.19 45.76 1sy9 s LEU 116 CO 0.11 -0.30 0.95 0.42 0.23 0.00 0.00 176.35 177.77 1sy9 s THR 117 N -2.83 4.03 0.59 5.49 -4.23 -1.26 -4.92 115.64 112.51 1sy9 s THR 117 Ca 0.10 0.32 0.30 0.00 -1.18 0.00 0.00 61.69 61.22 1sy9 s THR 117 Cb -0.00 -3.61 0.36 0.00 1.34 0.00 0.00 72.50 70.58 1sy9 s THR 117 CO -0.00 -0.70 2.26 -2.24 -0.54 0.00 0.00 174.62 173.40 1sy9 h ASP 118 N -0.25 0.00 -0.10 3.99 2.03 -2.01 0.12 116.42 120.20 1sy9 h ASP 118 Ca -0.45 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 55.76 1sy9 h ASP 118 Cb 1.23 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.72 1sy9 h ASP 118 CO 0.62 0.00 -0.20 -0.33 -1.03 0.00 0.00 179.24 178.30 1sy9 h GLU 119 N 0.00 0.50 -0.77 4.15 5.08 -2.00 -2.27 114.58 119.26 1sy9 h GLU 119 Ca -0.00 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 1sy9 h GLU 119 Cb 0.00 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 1sy9 h GLU 119 CO 0.00 0.67 0.35 1.49 -1.00 0.00 0.00 179.01 180.53 1sy9 h GLU 120 N 0.45 1.11 -0.40 2.33 4.22 -1.12 -2.51 114.58 118.65 1sy9 h GLU 120 Ca 0.07 -0.17 -0.14 0.00 0.08 0.00 0.00 59.36 59.21 1sy9 h GLU 120 Cb 0.60 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1sy9 h GLU 120 CO 0.04 0.86 -0.30 0.28 -2.18 0.00 0.00 179.01 177.71 1sy9 h VAL 121 N 1.10 1.27 -0.04 0.32 2.07 -1.34 -2.99 116.25 116.64 1sy9 h VAL 121 Ca 0.26 -1.47 0.01 0.00 0.82 0.00 0.00 66.70 66.32 1sy9 h VAL 121 Cb 0.13 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1sy9 h VAL 121 CO -0.03 0.49 -0.00 -0.78 0.02 0.00 0.00 177.57 177.27 1sy9 h ASP 122 N 0.75 -0.03 -0.85 0.57 1.82 -1.00 -2.61 116.42 115.07 1sy9 h ASP 122 Ca 0.08 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.74 1sy9 h ASP 122 Cb 0.87 0.02 -0.04 0.00 0.68 0.00 0.00 39.33 40.86 1sy9 h ASP 122 CO 0.08 -0.01 0.55 -0.08 -1.61 0.00 0.00 179.24 178.17 1sy9 h GLU 123 N 0.01 1.13 -0.99 0.28 4.81 -1.50 -1.90 114.58 116.42 1sy9 h GLU 123 Ca 0.02 -0.08 0.12 0.00 -0.13 0.00 0.00 59.36 59.29 1sy9 h GLU 123 Cb 0.03 -0.25 -0.08 0.00 0.63 0.00 0.00 28.75 29.07 1sy9 h GLU 123 CO -0.04 0.76 0.63 0.52 -0.73 0.00 0.00 179.01 180.15 1sy9 h MET 124 N 1.16 0.95 -0.77 1.92 2.86 -1.32 0.50 114.93 120.23 1sy9 h MET 124 Ca 0.31 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.84 1sy9 h MET 124 Cb -0.11 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.30 1sy9 h MET 124 CO -0.06 0.63 0.27 0.82 1.06 0.00 0.00 176.91 179.62 1sy9 h ILE 125 N 0.98 1.26 -1.01 -1.22 2.04 -1.03 -3.01 117.51 115.53 1sy9 h ILE 125 Ca 0.49 -0.89 0.01 0.00 1.00 0.00 0.00 64.86 65.47 1sy9 h ILE 125 Cb 0.48 0.38 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 1sy9 h ILE 125 CO -0.25 0.35 0.67 -0.09 0.00 0.00 0.00 178.15 178.83 1sy9 h ARG 126 N 1.14 1.33 -1.00 2.37 2.43 -0.48 0.54 114.38 120.71 1sy9 h ARG 126 Ca 0.25 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1sy9 h ARG 126 Cb 0.28 -0.30 -0.05 0.00 -0.42 0.00 0.00 29.97 29.48 1sy9 h ARG 126 CO -0.01 0.88 0.66 0.93 -1.51 0.00 0.00 179.97 180.91 1sy9 h GLU 127 N 1.37 1.32 0.00 0.20 5.08 -1.33 -3.02 114.58 118.19 1sy9 h GLU 127 Ca 0.37 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1sy9 h GLU 127 Cb -0.16 -0.30 0.00 0.00 0.50 0.00 0.00 28.75 28.79 1sy9 h GLU 127 CO -0.08 0.88 -1.67 0.00 -1.00 0.00 0.00 179.01 177.14 1sy9 n ALA 128 N -2.38 3.25 -2.89 3.43 0.00 -1.08 -4.68 120.51 116.15 1sy9 n ALA 128 Ca 0.12 -0.51 -0.44 0.00 0.00 0.00 0.00 53.44 52.61 1sy9 n ALA 128 Cb 0.01 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 -2.10 5.29 -0.27 0.00 2.03 0.19 -4.72 116.55 116.97 1sy9 n ASP 129 Ca -0.02 -3.03 -0.07 0.00 0.52 0.00 0.00 54.79 52.20 1sy9 n ASP 129 Cb 0.51 -1.52 0.05 0.00 -0.72 0.00 0.00 41.12 39.45 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 4.30 1.26 -0.87 5.18 2.04 -1.84 -2.96 117.51 124.62 1sy9 h ILE 130 Ca 0.31 -0.93 0.02 0.00 1.00 0.00 0.00 64.86 65.26 1sy9 h ILE 130 Cb 0.82 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 1sy9 h ILE 130 CO 1.29 0.37 0.57 -2.24 0.00 0.00 0.00 178.15 178.14 1sy9 h ASP 131 N 1.12 0.97 0.00 1.72 2.03 -1.95 -3.46 116.42 116.84 1sy9 h ASP 131 Ca 0.24 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.52 1sy9 h ASP 131 Cb 0.32 -0.24 0.00 0.00 -0.83 0.00 0.00 39.33 38.59 1sy9 h ASP 131 CO -0.01 0.69 0.00 0.61 -1.03 0.00 0.00 179.24 179.50 1sy9 n GLY 132 N -1.40 0.96 0.08 7.15 0.00 -1.12 -4.96 105.19 105.89 1sy9 n GLY 132 Ca 0.11 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.24 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 0.03 0.63 0.00 1.61 5.75 -1.26 -4.92 116.55 118.39 1sy9 n ASP 133 Ca 0.00 0.48 0.00 0.00 -0.01 0.00 0.00 54.79 55.26 1sy9 n ASP 133 Cb 0.00 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 39.50 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 1.36 0.75 3.01 6.12 0.00 -1.26 -5.05 105.19 110.12 1sy9 n GLY 134 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 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 1.85 -0.37 1.61 -0.21 -1.26 -4.78 119.66 115.99 1sy9 s GLN 135 Ca 0.00 -0.43 -0.21 0.00 0.02 0.00 0.00 55.36 54.74 1sy9 s GLN 135 Cb 0.00 -1.61 0.01 0.00 1.00 0.00 0.00 33.01 32.41 1sy9 s GLN 135 CO 0.00 -0.06 0.68 0.08 -2.12 0.00 0.00 175.29 173.87 1sy9 s VAL 136 N 0.98 4.83 0.75 1.09 1.01 -1.26 -4.89 120.40 122.92 1sy9 s VAL 136 Ca -0.08 0.61 -0.03 0.00 0.00 0.00 0.00 61.98 62.48 1sy9 s VAL 136 Cb -0.15 -4.13 0.15 0.00 0.00 0.00 0.00 36.38 32.25 1sy9 s VAL 136 CO -0.00 -0.39 1.03 0.59 0.00 0.00 0.00 175.10 176.33 1sy9 n ASN 137 N 6.19 1.07 -0.26 3.32 3.02 -1.26 -2.27 115.26 125.07 1sy9 n ASN 137 Ca -0.00 -1.97 -0.06 0.00 -0.03 0.00 0.00 54.58 52.52 1sy9 n ASN 137 Cb 0.48 -0.69 0.05 0.00 -0.61 0.00 0.00 39.78 39.01 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 -0.83 1.02 -0.44 3.10 3.20 -1.87 -2.14 116.97 119.01 1sy9 h TYR 138 Ca -0.34 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.47 1sy9 h TYR 138 Cb 1.17 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 39.11 1sy9 h TYR 138 CO 0.00 0.75 0.20 0.93 -1.64 0.00 0.00 178.16 178.40 1sy9 h GLU 139 N 0.99 0.63 -0.71 1.82 4.39 -1.94 -2.44 114.58 117.33 1sy9 h GLU 139 Ca 0.25 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.80 1sy9 h GLU 139 Cb 0.10 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 1sy9 h GLU 139 CO -0.03 0.55 0.25 0.93 -1.16 0.00 0.00 179.01 179.55 1sy9 h GLU 140 N 0.56 1.07 -0.82 2.33 5.08 -1.85 -2.65 114.58 118.31 1sy9 h GLU 140 Ca 0.15 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1sy9 h GLU 140 Cb 0.13 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 1sy9 h GLU 140 CO -0.02 0.89 0.54 0.35 -1.00 0.00 0.00 179.01 179.78 1sy9 h PHE 141 N 1.04 1.03 -0.49 4.33 3.04 -1.11 -2.60 116.94 122.18 1sy9 h PHE 141 Ca 0.23 0.02 -0.13 0.00 3.98 0.00 0.00 57.97 62.08 1sy9 h PHE 141 Cb 0.25 -0.35 -0.01 0.00 2.56 0.00 0.00 35.95 38.40 1sy9 h PHE 141 CO 0.02 0.64 -0.20 0.28 -2.02 0.00 0.00 178.31 177.03 1sy9 h VAL 142 N 1.11 1.27 -0.92 1.41 2.07 -1.12 -3.06 116.25 117.01 1sy9 h VAL 142 Ca 0.30 -1.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.46 1sy9 h VAL 142 Cb -0.12 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1sy9 h VAL 142 CO -0.07 0.47 0.56 -0.61 0.02 0.00 0.00 177.57 177.95 1sy9 h GLN 143 N 0.86 1.25 -0.89 1.57 5.75 -1.21 0.26 115.11 122.71 1sy9 h GLN 143 Ca 0.11 -0.11 0.01 0.00 -0.15 0.00 0.00 58.65 58.51 1sy9 h GLN 143 Cb 0.78 -0.26 -0.04 0.00 1.07 0.00 0.00 27.48 29.02 1sy9 h GLN 143 CO 0.06 0.87 0.59 1.98 -2.65 0.00 0.00 178.83 179.68 1sy9 h MET 144 N 1.27 1.17 0.21 1.69 4.05 -1.37 -2.19 114.93 119.76 1sy9 h MET 144 Ca 0.33 -0.07 -0.34 0.00 -0.28 0.00 0.00 59.70 59.34 1sy9 h MET 144 Cb -0.06 -0.26 0.02 0.00 -0.80 0.00 0.00 31.60 30.50 1sy9 h MET 144 CO -0.06 0.78 -1.56 0.52 0.23 0.00 0.00 176.91 176.82 1sy9 h MET 145 N 1.20 0.45 -0.00 0.39 2.86 -1.37 -3.29 114.93 115.17 1sy9 h MET 145 Ca 0.32 -0.77 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 1sy9 h MET 145 Cb -0.14 0.29 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 1sy9 h MET 145 CO -0.07 1.36 0.00 1.15 1.06 0.00 0.00 176.91 180.41 1sy9 h THR 146 N 0.12 0.68 -3.16 2.22 2.02 -0.38 -3.40 112.91 111.01 1sy9 h THR 146 Ca -0.27 0.00 -0.58 0.00 0.77 0.00 0.00 66.41 66.32 1sy9 h THR 146 Cb 2.12 1.00 -0.07 0.00 -1.74 0.00 0.00 68.15 69.47 1sy9 h THR 146 CO 0.23 0.00 0.76 0.00 0.37 0.00 0.00 175.52 176.88 1sy9 s ALA 147 N -4.78 3.64 0.00 6.16 0.00 -0.84 -5.07 121.76 120.87 1sy9 s ALA 147 Ca -0.05 0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1sy9 s ALA 147 Cb 0.16 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1sy9 s ALA 147 CO 0.59 -1.14 0.00 1.63 0.00 0.00 0.00 175.76 176.84