#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 4.52 -0.38 0.00 8.00 -1.26 -4.54 116.55 122.90 1sy9 n ASP 2 Ca 0.00 -2.60 -0.02 0.00 0.71 0.00 0.00 54.79 52.88 1sy9 n ASP 2 Cb 0.00 -0.55 0.11 0.00 -0.02 0.00 0.00 41.12 40.66 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 3.33 1.31 0.00 -1.24 4.20 -2.13 -3.44 115.11 117.14 1sy9 h GLN 3 Ca 0.00 -0.08 -0.40 0.00 0.06 0.00 0.00 58.65 58.23 1sy9 h GLN 3 Cb 1.45 -0.30 -0.04 0.00 0.30 0.00 0.00 27.48 28.90 1sy9 h GLN 3 CO 0.25 0.87 -0.21 1.28 -0.67 0.00 0.00 178.83 180.34 1sy9 n LEU 4 N -4.39 0.00 -3.60 1.46 4.77 -1.26 -5.13 117.00 108.85 1sy9 n LEU 4 Ca 0.12 -1.98 -0.27 0.00 -0.03 0.00 0.00 56.01 53.84 1sy9 n LEU 4 Cb 0.01 0.02 -0.16 0.00 -2.33 0.00 0.00 43.42 40.96 1sy9 n LEU 4 CO 0.37 -0.45 -0.33 0.42 -1.33 0.00 0.00 177.39 176.06 1sy9 s THR 5 N -1.91 -0.02 -1.01 -5.08 -4.23 -1.26 -4.99 115.64 97.13 1sy9 s THR 5 Ca 0.18 -0.42 0.28 0.00 -1.18 0.00 0.00 61.69 60.55 1sy9 s THR 5 Cb -0.01 -0.76 0.17 0.00 1.34 0.00 0.00 72.50 73.23 1sy9 s THR 5 CO 0.11 -0.43 1.76 -0.62 -0.54 0.00 0.00 174.62 174.90 1sy9 n GLU 6 N 5.24 0.01 0.03 3.99 1.02 -1.26 -3.71 120.64 125.96 1sy9 n GLU 6 Ca -0.07 -0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.01 1sy9 n GLU 6 Cb 0.46 -1.50 0.13 0.00 -0.02 0.00 0.00 31.44 30.51 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 0.01 0.44 0.00 3.49 5.08 -2.03 -2.58 114.58 118.98 1sy9 h GLU 7 Ca 0.00 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 1sy9 h GLU 7 Cb 0.50 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1sy9 h GLU 7 CO 0.00 0.81 -0.12 1.96 -1.00 0.00 0.00 179.01 180.66 1sy9 h GLN 8 N 0.35 0.00 -0.10 2.33 4.20 -2.01 -3.23 115.11 116.64 1sy9 h GLN 8 Ca 0.02 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.75 1sy9 h GLN 8 Cb 0.94 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.70 1sy9 h GLN 8 CO 0.08 0.12 -0.03 0.82 -0.67 0.00 0.00 178.83 179.15 1sy9 h ILE 9 N 0.00 0.89 0.00 2.54 1.08 -1.63 -1.73 117.51 118.67 1sy9 h ILE 9 Ca -0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 1sy9 h ILE 9 Cb 0.58 0.89 -0.00 0.00 -3.07 0.00 0.00 36.82 35.22 1sy9 h ILE 9 CO 0.01 0.00 -0.05 0.00 -0.69 0.00 0.00 178.15 177.43 1sy9 h ALA 10 N 1.10 1.16 0.21 1.87 0.00 -1.69 -1.52 119.26 120.39 1sy9 h ALA 10 Ca 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1sy9 h ALA 10 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1sy9 h ALA 10 CO -0.11 0.06 -0.10 0.93 0.00 0.00 0.00 179.25 180.03 1sy9 h GLU 11 N 0.00 -0.27 0.00 0.00 5.08 -1.44 -2.44 114.58 115.50 1sy9 h GLU 11 Ca -0.00 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1sy9 h GLU 11 Cb 0.25 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1sy9 h GLU 11 CO 0.01 0.09 -0.07 0.74 -1.00 0.00 0.00 179.01 178.77 1sy9 h PHE 12 N -0.71 0.00 -0.46 4.33 0.04 -1.33 -2.74 116.94 116.07 1sy9 h PHE 12 Ca -0.03 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.65 1sy9 h PHE 12 Cb 0.49 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.63 1sy9 h PHE 12 CO 0.05 0.07 -0.07 -0.22 -0.60 0.00 0.00 178.31 177.54 1sy9 h LYS 13 N 0.00 0.87 0.70 1.51 3.64 -1.07 -2.08 116.57 120.13 1sy9 h LYS 13 Ca -0.00 -0.31 -0.03 0.00 -1.27 0.00 0.00 60.65 59.03 1sy9 h LYS 13 Cb 0.45 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1sy9 h LYS 13 CO 0.01 0.95 -0.34 0.93 -2.27 0.00 0.00 179.45 178.73 1sy9 h GLU 14 N 0.71 -0.91 -0.33 1.90 5.08 -1.12 -2.91 114.58 117.00 1sy9 h GLU 14 Ca 0.12 0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1sy9 h GLU 14 Cb 0.60 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 1sy9 h GLU 14 CO 0.04 -0.60 0.07 0.00 -1.00 0.00 0.00 179.01 177.52 1sy9 h ALA 15 N -0.65 1.51 -0.10 3.43 0.00 -1.60 -2.28 119.26 119.56 1sy9 h ALA 15 Ca -0.10 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1sy9 h ALA 15 Cb 0.73 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1sy9 h ALA 15 CO 0.16 0.37 -0.02 0.35 0.00 0.00 0.00 179.25 180.10 1sy9 h PHE 16 N 0.48 -0.05 -0.57 0.00 3.57 -1.24 0.29 116.94 119.41 1sy9 h PHE 16 Ca 0.11 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.54 1sy9 h PHE 16 Cb 0.20 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1sy9 h PHE 16 CO 0.01 -0.04 0.03 0.77 -2.23 0.00 0.00 178.31 176.84 1sy9 h SER 17 N 0.00 0.93 -0.77 0.41 0.02 -1.38 -2.36 113.55 110.39 1sy9 h SER 17 Ca 0.05 -0.24 0.01 0.00 -0.84 0.00 0.00 61.79 60.77 1sy9 h SER 17 Cb 0.07 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 1sy9 h SER 17 CO -0.10 0.97 0.51 0.25 -1.14 0.00 0.00 176.83 177.32 1sy9 h LEU 18 N 0.89 0.89 -0.70 5.07 5.85 -0.76 -1.74 115.31 124.82 1sy9 h LEU 18 Ca 0.17 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.74 1sy9 h LEU 18 Cb 0.48 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1sy9 h LEU 18 CO 0.02 0.64 -0.58 0.15 -0.34 0.00 0.00 178.44 178.33 1sy9 h PHE 19 N 1.05 0.00 -3.07 1.25 3.04 -0.05 -3.40 116.94 115.75 1sy9 h PHE 19 Ca 0.28 0.00 -0.71 0.00 3.98 0.00 0.00 57.97 61.52 1sy9 h PHE 19 Cb -0.12 0.00 -0.21 0.00 2.56 0.00 0.00 35.95 38.18 1sy9 h PHE 19 CO 0.00 0.58 -0.02 0.34 -2.02 0.00 0.00 178.31 177.19 1sy9 s ASP 20 N -6.70 6.19 0.35 0.41 2.15 -0.65 -4.92 116.67 113.50 1sy9 s ASP 20 Ca -0.00 -1.36 0.09 0.00 0.43 0.00 0.00 52.55 51.71 1sy9 s ASP 20 Cb 0.12 -2.27 0.64 0.00 -0.30 0.00 0.00 42.92 41.11 1sy9 s ASP 20 CO 0.75 -0.95 1.80 0.11 -0.17 0.00 0.00 175.17 176.71 1sy9 h LYS 21 N 9.03 0.17 0.00 4.34 1.79 -1.78 -2.75 116.57 127.36 1sy9 h LYS 21 Ca -0.29 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.12 1sy9 h LYS 21 Cb 1.09 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.73 1sy9 h LYS 21 CO 1.03 0.47 0.00 -0.25 -1.08 0.00 0.00 179.45 179.62 1sy9 n ASP 22 N -4.12 0.00 -1.57 0.86 8.00 -1.26 -4.89 116.55 113.57 1sy9 n ASP 22 Ca -0.01 0.44 -0.17 0.00 0.71 0.00 0.00 54.79 55.76 1sy9 n ASP 22 Cb 0.39 -0.48 -0.04 0.00 -0.02 0.00 0.00 41.12 40.97 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 1.46 0.74 0.00 0.44 0.00 -1.04 -4.85 105.19 101.94 1sy9 n GLY 23 Ca 0.08 -0.21 0.14 0.00 0.00 0.00 0.00 46.02 46.03 1sy9 n GLY 23 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sy9 n ASP 24 N -0.92 0.00 0.00 1.61 8.00 -1.26 -4.88 116.55 119.10 1sy9 n ASP 24 Ca -0.18 0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1sy9 n ASP 24 Cb 0.60 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 1sy9 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sy9 n GLY 25 N 1.44 0.65 3.19 0.44 0.00 -1.26 -5.00 105.19 104.66 1sy9 n GLY 25 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.61 0.01 -0.24 2.61 -4.23 -1.26 -4.40 115.64 105.52 1sy9 s THR 26 Ca 0.00 -0.11 -0.08 0.00 -1.18 0.00 0.00 61.69 60.31 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 -0.06 0.10 -0.63 -0.54 0.00 0.00 174.62 173.49 1sy9 s ILE 27 N -0.17 4.77 -0.03 2.99 1.01 -1.26 -4.95 121.20 123.57 1sy9 s ILE 27 Ca -0.03 -0.02 -0.06 0.00 0.00 0.00 0.00 60.65 60.54 1sy9 s ILE 27 Cb -0.03 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 1sy9 s ILE 27 CO 0.01 0.35 0.21 0.42 0.00 0.00 0.00 174.94 175.94 1sy9 s THR 28 N 1.23 5.39 0.43 2.92 -4.23 -1.26 -4.35 115.64 115.78 1sy9 s THR 28 Ca 0.06 0.09 0.30 0.00 -1.18 0.00 0.00 61.69 60.96 1sy9 s THR 28 Cb -0.14 -3.52 0.48 0.00 1.34 0.00 0.00 72.50 70.66 1sy9 s THR 28 CO 0.04 0.42 1.59 0.71 -0.54 0.00 0.00 174.62 176.84 1sy9 h THR 29 N 3.22 0.03 -0.37 3.99 1.35 -1.93 0.81 112.91 120.00 1sy9 h THR 29 Ca -0.51 -0.01 -0.02 0.00 -0.55 0.00 0.00 66.41 65.32 1sy9 h THR 29 Cb 1.20 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 67.61 1sy9 h THR 29 CO 0.65 0.00 0.14 0.11 -0.25 0.00 0.00 175.52 176.17 1sy9 h LYS 30 N 0.02 0.56 0.29 4.72 1.57 -1.98 -2.28 116.57 119.47 1sy9 h LYS 30 Ca 0.87 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 59.53 1sy9 h LYS 30 Cb 2.71 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.94 1sy9 h LYS 30 CO -0.50 0.55 -0.14 0.93 -0.57 0.00 0.00 179.45 179.72 1sy9 h GLU 31 N 0.45 -0.37 -0.77 3.15 5.08 0.25 -2.83 114.58 119.54 1sy9 h GLU 31 Ca 0.12 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.53 1sy9 h GLU 31 Cb 0.21 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1sy9 h GLU 31 CO -0.01 -0.25 0.51 1.25 -1.00 0.00 0.00 179.01 179.51 1sy9 h LEU 32 N -0.39 0.83 -1.77 1.33 5.85 -1.46 -1.53 115.31 118.17 1sy9 h LEU 32 Ca -0.04 -0.01 0.19 0.00 0.84 0.00 0.00 57.88 58.86 1sy9 h LEU 32 Cb 0.30 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1sy9 h LEU 32 CO 0.06 0.58 0.54 1.23 -0.34 0.00 0.00 178.44 180.51 1sy9 h GLY 33 N 0.97 0.39 1.14 3.75 0.00 -1.15 0.08 103.07 108.26 1sy9 h GLY 33 Ca 0.30 -0.09 -0.17 0.00 0.00 0.00 0.00 47.33 47.37 1sy9 h GLY 33 CO -0.08 0.01 -0.41 -0.84 0.00 0.00 0.00 176.54 175.22 1sy9 h THR 34 N 0.20 1.27 0.59 4.70 2.02 -1.24 -1.90 112.91 118.55 1sy9 h THR 34 Ca 0.38 -1.59 -0.03 0.00 0.77 0.00 0.00 66.41 65.94 1sy9 h THR 34 Cb 1.20 1.42 0.01 0.00 -1.74 0.00 0.00 68.15 69.04 1sy9 h THR 34 CO -0.08 0.53 -0.28 0.58 0.37 0.00 0.00 175.52 176.64 1sy9 h VAL 35 N 0.75 0.33 -0.07 3.16 2.07 -1.02 -2.82 116.25 118.66 1sy9 h VAL 35 Ca 0.05 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.32 1sy9 h VAL 35 Cb 1.01 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1sy9 h VAL 35 CO 0.10 0.03 0.05 0.24 0.02 0.00 0.00 177.57 178.02 1sy9 h MET 36 N -0.99 0.00 -0.97 1.57 2.86 -1.52 -0.69 114.93 115.20 1sy9 h MET 36 Ca -0.08 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1sy9 h MET 36 Cb 0.66 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.27 1sy9 h MET 36 CO 0.13 0.00 0.64 -0.09 1.06 0.00 0.00 176.91 178.65 1sy9 h ARG 37 N 0.00 1.27 0.00 1.72 1.12 -0.75 -0.47 114.38 117.27 1sy9 h ARG 37 Ca 0.03 -0.08 0.00 0.00 -1.11 0.00 0.00 59.98 58.82 1sy9 h ARG 37 Cb 0.14 -0.29 0.00 0.00 -0.01 0.00 0.00 29.97 29.81 1sy9 h ARG 37 CO -0.00 0.84 0.00 1.03 -3.11 0.00 0.00 179.97 178.73 1sy9 h SER 38 N 1.31 0.00 0.84 -3.80 0.87 -0.91 -2.12 113.55 109.73 1sy9 h SER 38 Ca 0.36 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.70 1sy9 h SER 38 Cb -0.15 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.78 1sy9 h SER 38 CO -0.08 0.00 -1.26 0.25 -0.53 0.00 0.00 176.83 175.22 1sy9 h LEU 39 N 0.00 0.00 0.00 2.23 5.85 -1.10 -3.47 115.31 118.82 1sy9 h LEU 39 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1sy9 h LEU 39 Cb 0.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1sy9 h LEU 39 CO 0.00 0.84 0.00 0.61 -0.34 0.00 0.00 178.44 179.55 1sy9 n GLY 40 N 1.41 0.49 3.82 3.75 0.00 -0.80 -5.15 105.19 108.72 1sy9 n GLY 40 Ca -0.07 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 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 2.01 0.11 1.61 -2.07 -1.13 -4.90 119.66 115.29 1sy9 s GLN 41 Ca 0.00 -1.25 0.11 0.00 -1.82 0.00 0.00 55.36 52.39 1sy9 s GLN 41 Cb 0.00 0.59 -0.04 0.00 -1.09 0.00 0.00 33.01 32.48 1sy9 s GLN 41 CO 0.00 -0.94 -0.27 0.54 -1.32 0.00 0.00 175.29 173.30 1sy9 s ASN 42 N -3.06 3.28 0.00 12.60 4.22 -1.26 -2.06 114.94 128.66 1sy9 s ASN 42 Ca 0.15 -0.71 0.00 0.00 -2.14 0.00 0.00 52.86 50.16 1sy9 s ASN 42 Cb -0.05 -0.24 0.00 0.00 1.28 0.00 0.00 41.25 42.24 1sy9 s ASN 42 CO 0.09 0.20 0.00 -0.81 -2.04 0.00 0.00 177.10 174.54 1sy9 n PRO 43 N 1.12 2.72 -4.06 3.55 -0.04 -1.26 -4.98 135.00 132.05 1sy9 n PRO 43 Ca -0.18 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.16 1sy9 n PRO 43 Cb 0.53 0.00 -0.12 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 0.49 0.61 0.52 -4.23 -1.26 -5.00 115.64 106.77 1sy9 s THR 44 Ca 0.00 -1.01 0.29 0.00 -1.18 0.00 0.00 61.69 59.79 1sy9 s THR 44 Cb 0.00 -0.56 0.35 0.00 1.34 0.00 0.00 72.50 73.63 1sy9 s THR 44 CO 0.00 -0.36 1.90 -0.33 -0.54 0.00 0.00 174.62 175.28 1sy9 h GLU 45 N 4.60 0.00 0.42 3.99 5.08 -1.97 0.85 114.58 127.55 1sy9 h GLU 45 Ca -0.35 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.99 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 0.41 0.00 -0.20 0.00 -1.00 0.00 0.00 179.01 178.22 1sy9 h ALA 46 N 1.41 -0.56 -0.45 3.43 0.00 -1.99 -2.39 119.26 118.70 1sy9 h ALA 46 Ca 0.14 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1sy9 h ALA 46 Cb 1.01 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1sy9 h ALA 46 CO -0.00 -0.53 -0.12 1.49 0.00 0.00 0.00 179.25 180.08 1sy9 h GLU 47 N -1.13 0.83 -0.59 0.00 4.81 -1.69 -2.48 114.58 114.32 1sy9 h GLU 47 Ca -0.06 -0.29 0.04 0.00 -0.13 0.00 0.00 59.36 58.93 1sy9 h GLU 47 Cb 0.46 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 1sy9 h GLU 47 CO 0.09 0.91 0.39 -0.07 -0.73 0.00 0.00 179.01 179.60 1sy9 h LEU 48 N 0.74 0.57 -0.46 1.64 3.38 0.59 -1.96 115.31 119.81 1sy9 h LEU 48 Ca 0.12 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.94 1sy9 h LEU 48 Cb 0.62 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1sy9 h LEU 48 CO 0.04 0.39 -0.35 -0.61 0.09 0.00 0.00 178.44 177.99 1sy9 h GLN 49 N 0.66 0.89 -0.48 1.13 4.15 -0.97 -2.99 115.11 117.50 1sy9 h GLN 49 Ca 0.24 -0.45 -0.10 0.00 0.77 0.00 0.00 58.65 59.12 1sy9 h GLN 49 Cb 0.14 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 1sy9 h GLN 49 CO -0.07 1.10 -0.08 0.22 -1.93 0.00 0.00 178.83 178.07 1sy9 h ASP 50 N 0.74 0.85 -0.54 -0.69 1.82 -1.16 -1.72 116.42 115.72 1sy9 h ASP 50 Ca 0.07 -0.25 0.00 0.00 -0.39 0.00 0.00 57.03 56.46 1sy9 h ASP 50 Cb 0.93 -0.23 -0.03 0.00 0.68 0.00 0.00 39.33 40.69 1sy9 h ASP 50 CO 0.09 0.96 0.35 0.24 -1.61 0.00 0.00 179.24 179.27 1sy9 h MET 51 N 0.79 0.71 -0.21 0.28 2.86 -1.39 -2.17 114.93 115.81 1sy9 h MET 51 Ca 0.13 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.61 1sy9 h MET 51 Cb 0.59 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1sy9 h MET 51 CO 0.04 0.47 -0.37 0.82 1.06 0.00 0.00 176.91 178.93 1sy9 h ILE 52 N 0.73 1.30 -0.87 -1.22 2.04 -1.38 -2.94 117.51 115.16 1sy9 h ILE 52 Ca 0.20 -1.49 -0.00 0.00 1.00 0.00 0.00 64.86 64.57 1sy9 h ILE 52 Cb -0.08 1.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 1sy9 h ILE 52 CO -0.04 0.46 0.54 -1.13 0.00 0.00 0.00 178.15 177.98 1sy9 h ASN 53 N 0.38 1.04 0.56 1.72 -0.00 -0.70 0.74 115.58 119.33 1sy9 h ASN 53 Ca 0.04 -0.06 -0.11 0.00 -0.00 0.00 0.00 56.30 56.18 1sy9 h ASN 53 Cb 0.82 -0.26 -0.02 0.00 -0.00 0.00 0.00 38.32 38.87 1sy9 h ASN 53 CO 0.07 0.79 -0.50 -0.08 -0.00 0.00 0.00 177.43 177.70 1sy9 h GLU 54 N 1.19 0.00 -0.01 6.67 4.57 -1.35 -3.14 114.58 122.52 1sy9 h GLU 54 Ca 0.31 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.49 1sy9 h GLU 54 Cb -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 1sy9 h GLU 54 CO -0.06 0.50 -0.74 0.28 -1.18 0.00 0.00 179.01 177.81 1sy9 n VAL 55 N -3.86 0.00 -2.19 0.32 0.31 -0.81 -4.89 118.33 107.22 1sy9 n VAL 55 Ca -0.01 -0.08 -0.42 0.00 -0.01 0.00 0.00 64.34 63.81 1sy9 n VAL 55 Cb 0.53 0.95 -0.03 0.00 -0.91 0.00 0.00 33.84 34.39 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 -2.81 5.97 0.15 4.52 1.01 0.25 -4.86 116.67 120.90 1sy9 s ASP 56 Ca 0.12 0.81 -0.11 0.00 0.71 0.00 0.00 52.55 54.08 1sy9 s ASP 56 Cb 0.17 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.57 1sy9 s ASP 56 CO 0.74 -1.73 1.56 0.00 0.21 0.00 0.00 175.17 175.95 1sy9 h ALA 57 N 12.21 0.66 0.00 5.23 0.00 -1.90 -3.18 119.26 132.27 1sy9 h ALA 57 Ca -0.29 -0.35 -0.27 0.00 0.00 0.00 0.00 54.91 54.00 1sy9 h ALA 57 Cb 1.13 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 1sy9 h ALA 57 CO 1.11 0.57 -1.54 0.38 0.00 0.00 0.00 179.25 179.76 1sy9 h ASP 58 N 0.77 0.00 0.00 0.00 2.03 -1.94 -3.48 116.42 113.80 1sy9 h ASP 58 Ca 0.12 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.42 1sy9 h ASP 58 Cb 0.68 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.18 1sy9 h ASP 58 CO 0.05 0.99 0.00 0.61 -1.03 0.00 0.00 179.24 179.86 1sy9 n GLY 59 N 1.51 0.68 0.22 7.15 0.00 -1.21 -4.97 105.19 108.56 1sy9 n GLY 59 Ca -0.13 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 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 0.76 0.00 1.61 -1.07 -1.93 -3.47 115.58 111.48 1sy9 h ASN 60 Ca 0.00 -0.45 0.00 0.00 0.07 0.00 0.00 56.30 55.92 1sy9 h ASN 60 Cb 0.07 -0.22 0.00 0.00 -2.07 0.00 0.00 38.32 36.10 1sy9 h ASN 60 CO 0.00 1.21 0.00 0.61 0.07 0.00 0.00 177.43 179.32 1sy9 n GLY 61 N 0.45 0.52 3.30 9.14 0.00 -1.26 -5.13 105.19 112.21 1sy9 n GLY 61 Ca -0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.82 0.46 -0.22 2.61 -4.23 -1.26 -4.91 115.64 107.26 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 -2.61 -0.03 0.00 1.34 0.00 0.00 72.50 71.19 1sy9 s THR 62 CO 0.00 0.00 0.05 -0.63 -0.54 0.00 0.00 174.62 173.50 1sy9 s ILE 63 N -3.82 4.34 0.45 2.99 1.01 -1.26 -4.84 121.20 120.08 1sy9 s ILE 63 Ca 0.38 -0.17 0.08 0.00 0.00 0.00 0.00 60.65 60.94 1sy9 s ILE 63 Cb 0.08 -2.99 0.02 0.00 0.01 0.00 0.00 42.46 39.57 1sy9 s ILE 63 CO 0.13 0.39 0.57 -1.81 0.00 0.00 0.00 174.94 174.23 1sy9 s ASP 64 N 1.15 5.39 0.22 3.58 1.01 -1.26 -3.99 116.67 122.77 1sy9 s ASP 64 Ca 0.04 -0.60 -0.13 0.00 0.71 0.00 0.00 52.55 52.57 1sy9 s ASP 64 Cb -0.14 -0.41 0.26 0.00 1.01 0.00 0.00 42.92 43.63 1sy9 s ASP 64 CO 0.03 -0.87 1.62 0.15 0.21 0.00 0.00 175.17 176.31 1sy9 h PHE 65 N 0.63 -0.34 -0.43 4.23 3.04 -2.00 -0.51 116.94 121.55 1sy9 h PHE 65 Ca -0.38 0.06 -0.08 0.00 3.98 0.00 0.00 57.97 61.55 1sy9 h PHE 65 Cb 1.28 0.26 -0.02 0.00 2.56 0.00 0.00 35.95 40.03 1sy9 h PHE 65 CO 0.45 -0.28 -0.06 -1.00 -2.02 0.00 0.00 178.31 175.40 1sy9 h PRO 66 N 0.00 0.74 -0.37 6.41 0.13 -1.98 -2.74 132.00 134.18 1sy9 h PRO 66 Ca 0.32 -0.22 -0.16 0.00 -0.87 0.00 0.00 66.00 65.07 1sy9 h PRO 66 Cb 0.49 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 1sy9 h PRO 66 CO -0.68 0.79 -0.41 0.93 -0.23 0.00 0.00 178.00 178.40 1sy9 h GLU 67 N 0.68 0.94 -0.89 0.86 5.08 -1.64 -3.02 114.58 116.59 1sy9 h GLU 67 Ca 0.13 -0.51 -0.02 0.00 -1.00 0.00 0.00 59.36 57.96 1sy9 h GLU 67 Cb 0.51 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 1sy9 h GLU 67 CO 0.03 1.16 0.49 0.35 -1.00 0.00 0.00 179.01 180.04 1sy9 h PHE 68 N 0.76 1.21 -0.45 4.33 3.04 -0.99 -2.98 116.94 121.86 1sy9 h PHE 68 Ca 0.05 -0.03 -0.15 0.00 3.98 0.00 0.00 57.97 61.83 1sy9 h PHE 68 Cb 1.01 -0.39 -0.01 0.00 2.56 0.00 0.00 35.95 39.12 1sy9 h PHE 68 CO 0.06 0.84 -0.29 -0.07 -2.02 0.00 0.00 178.31 176.83 1sy9 h LEU 69 N 1.24 1.03 -0.44 0.59 3.38 -1.47 -2.67 115.31 116.96 1sy9 h LEU 69 Ca 0.31 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1sy9 h LEU 69 Cb 0.02 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1sy9 h LEU 69 CO -0.05 1.23 0.29 0.71 0.09 0.00 0.00 178.44 180.71 1sy9 h THR 70 N 0.83 1.11 -0.45 0.22 1.35 -1.39 -2.63 112.91 111.94 1sy9 h THR 70 Ca 0.09 -0.20 -0.14 0.00 -0.55 0.00 0.00 66.41 65.60 1sy9 h THR 70 Cb 0.88 0.47 -0.01 0.00 -1.73 0.00 0.00 68.15 67.75 1sy9 h THR 70 CO 0.08 0.11 -0.28 -0.03 -0.25 0.00 0.00 175.52 175.15 1sy9 h MET 71 N 0.59 0.99 -0.04 4.72 1.85 -1.55 -2.54 114.93 118.95 1sy9 h MET 71 Ca 0.16 -0.46 0.00 0.00 -0.61 0.00 0.00 59.70 58.79 1sy9 h MET 71 Cb -0.07 -0.01 -0.00 0.00 0.43 0.00 0.00 31.60 31.95 1sy9 h MET 71 CO -0.04 1.13 0.03 1.98 -0.40 0.00 0.00 176.91 179.61 1sy9 h MET 72 N 0.83 0.05 -0.03 0.39 -1.53 -1.31 0.14 114.93 113.48 1sy9 h MET 72 Ca 0.09 -0.00 -0.13 0.00 -3.44 0.00 0.00 59.70 56.22 1sy9 h MET 72 Cb 0.87 -0.01 -0.02 0.00 -0.55 0.00 0.00 31.60 31.89 1sy9 h MET 72 CO 0.08 0.04 -0.57 0.00 0.14 0.00 0.00 176.91 176.59 1sy9 h ALA 73 N 1.01 0.98 0.00 0.39 0.00 -1.52 -2.61 119.26 117.51 1sy9 h ALA 73 Ca 0.01 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 1sy9 h ALA 73 Cb -0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1sy9 h ALA 73 CO -0.00 0.71 -0.41 -0.09 0.00 0.00 0.00 179.25 179.46 1sy9 h ARG 74 N 0.08 0.00 -0.60 0.00 2.43 -1.31 -3.37 114.38 111.61 1sy9 h ARG 74 Ca -0.00 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.06 1sy9 h ARG 74 Cb 1.04 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 1sy9 h ARG 74 CO 0.08 0.93 -0.02 -0.22 -1.51 0.00 0.00 179.97 179.23 1sy9 h LYS 75 N -1.00 1.08 -0.70 0.20 1.63 -0.83 -3.12 116.57 113.82 1sy9 h LYS 75 Ca -0.11 -0.36 0.13 0.00 -0.85 0.00 0.00 60.65 59.46 1sy9 h LYS 75 Cb 1.04 -0.09 -0.05 0.00 -0.60 0.00 0.00 32.23 32.53 1sy9 h LYS 75 CO -0.07 1.06 0.47 0.00 -3.45 0.00 0.00 179.45 177.46 1sy9 h MET 76 N 0.98 0.41 -0.50 1.90 -0.00 -1.61 -1.52 114.93 114.59 1sy9 h MET 76 Ca 0.17 -0.02 -0.13 0.00 -0.00 0.00 0.00 59.70 59.72 1sy9 h MET 76 Cb 0.59 -0.09 -0.01 0.00 -0.00 0.00 0.00 31.60 32.08 1sy9 h MET 76 CO 0.04 0.27 -0.18 0.87 -0.00 0.00 0.00 176.91 177.91 1sy9 h LYS 77 N 0.43 1.01 0.00 -0.10 1.57 -1.70 -2.19 116.57 115.58 1sy9 h LYS 77 Ca 0.34 -0.41 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1sy9 h LYS 77 Cb 0.72 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 1sy9 h LYS 77 CO -0.10 1.09 -0.00 0.22 -0.57 0.00 0.00 179.45 180.09 1sy9 h ASP 78 N 0.88 0.00 -2.87 0.86 1.82 -1.38 -3.43 116.42 112.29 1sy9 h ASP 78 Ca 0.12 0.00 -0.21 0.00 -0.39 0.00 0.00 57.03 56.55 1sy9 h ASP 78 Cb 0.76 0.00 0.09 0.00 0.68 0.00 0.00 39.33 40.86 1sy9 h ASP 78 CO 0.06 0.00 0.20 0.41 -1.61 0.00 0.00 179.24 178.30 1sy9 n THR 79 N -3.09 0.00 -4.09 2.25 -1.04 -0.82 -5.09 114.28 102.39 1sy9 n THR 79 Ca -0.01 -0.46 -0.18 0.00 -2.04 0.00 0.00 64.05 61.36 1sy9 n THR 79 Cb 0.23 -1.73 -0.16 0.00 -1.82 0.00 0.00 70.33 66.85 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 -3.34 0.69 0.39 8.00 1.01 -1.26 -5.02 116.67 117.13 1sy9 s ASP 80 Ca 0.37 -0.09 0.06 0.00 0.71 0.00 0.00 52.55 53.60 1sy9 s ASP 80 Cb -0.01 -0.31 0.78 0.00 1.01 0.00 0.00 42.92 44.39 1sy9 s ASP 80 CO 0.26 -0.05 2.03 -1.28 0.21 0.00 0.00 175.17 176.33 1sy9 h SER 81 N 7.01 0.52 -0.96 0.27 0.87 -1.97 -1.35 113.55 117.95 1sy9 h SER 81 Ca -0.39 -0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.16 1sy9 h SER 81 Cb 1.15 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 62.93 1sy9 h SER 81 CO 0.48 0.41 0.63 -0.33 -0.53 0.00 0.00 176.83 177.49 1sy9 h GLU 82 N 0.61 1.27 -0.38 2.24 5.08 -2.00 -2.02 114.58 119.37 1sy9 h GLU 82 Ca 0.16 -0.08 -0.16 0.00 -1.00 0.00 0.00 59.36 58.28 1sy9 h GLU 82 Cb -0.02 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 28.94 1sy9 h GLU 82 CO -0.03 0.84 -0.41 0.93 -1.00 0.00 0.00 179.01 179.34 1sy9 h GLU 83 N 1.30 0.94 -0.36 2.33 5.08 -1.68 -3.08 114.58 119.10 1sy9 h GLU 83 Ca 0.35 -0.51 -0.09 0.00 -1.00 0.00 0.00 59.36 58.12 1sy9 h GLU 83 Cb -0.15 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1sy9 h GLU 83 CO -0.08 1.16 -0.13 0.93 -1.00 0.00 0.00 179.01 179.89 1sy9 h GLU 84 N 0.76 0.64 -0.15 2.33 5.08 -0.99 -3.00 114.58 119.25 1sy9 h GLU 84 Ca 0.06 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1sy9 h GLU 84 Cb 1.01 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 1sy9 h GLU 84 CO 0.10 0.76 -0.03 0.82 -1.00 0.00 0.00 179.01 179.65 1sy9 h ILE 85 N 0.58 1.28 -0.82 3.13 2.04 -1.38 -2.36 117.51 120.00 1sy9 h ILE 85 Ca 0.10 -0.97 0.01 0.00 1.00 0.00 0.00 64.86 65.00 1sy9 h ILE 85 Cb 0.57 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 38.24 1sy9 h ILE 85 CO 0.04 0.28 0.54 0.03 0.00 0.00 0.00 178.15 179.04 1sy9 h ARG 86 N -0.02 1.07 -0.12 2.37 3.08 -1.50 -2.34 114.38 116.92 1sy9 h ARG 86 Ca 0.04 -0.06 -0.23 0.00 0.07 0.00 0.00 59.98 59.79 1sy9 h ARG 86 Cb 0.45 -0.24 0.01 0.00 0.08 0.00 0.00 29.97 30.27 1sy9 h ARG 86 CO 0.01 0.71 -0.84 0.93 -1.07 0.00 0.00 179.97 179.72 1sy9 h GLU 87 N 1.10 0.78 -0.21 0.04 5.08 -1.56 -3.03 114.58 116.79 1sy9 h GLU 87 Ca 0.30 -0.68 -0.02 0.00 -1.00 0.00 0.00 59.36 57.96 1sy9 h GLU 87 Cb -0.12 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1sy9 h GLU 87 CO -0.07 1.28 0.06 0.00 -1.00 0.00 0.00 179.01 179.28 1sy9 h ALA 88 N 0.52 0.28 -0.41 3.43 0.00 -1.31 -2.43 119.26 119.34 1sy9 h ALA 88 Ca -0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1sy9 h ALA 88 Cb 1.47 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1sy9 h ALA 88 CO 0.17 -0.09 0.27 0.35 0.00 0.00 0.00 179.25 179.95 1sy9 h PHE 89 N 0.16 0.51 -0.41 0.00 3.04 -1.52 -2.38 116.94 116.35 1sy9 h PHE 89 Ca 0.07 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.03 1sy9 h PHE 89 Cb 0.25 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 38.57 1sy9 h PHE 89 CO 0.01 0.33 0.27 -0.09 -2.02 0.00 0.00 178.31 176.80 1sy9 h ARG 90 N 0.55 0.54 0.18 1.11 2.43 -1.44 0.56 114.38 118.31 1sy9 h ARG 90 Ca 0.15 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1sy9 h ARG 90 Cb -0.06 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.37 1sy9 h ARG 90 CO -0.03 0.36 -0.09 0.28 -1.51 0.00 0.00 179.97 178.98 1sy9 h VAL 91 N 0.55 0.91 -0.76 0.20 2.07 -0.93 -3.26 116.25 115.04 1sy9 h VAL 91 Ca 0.15 -0.95 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 1sy9 h VAL 91 Cb -0.06 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1sy9 h VAL 91 CO -0.03 0.20 0.29 -0.26 0.02 0.00 0.00 177.57 177.79 1sy9 h PHE 92 N -0.74 1.16 -0.68 1.57 -1.00 -1.35 -3.32 116.94 112.58 1sy9 h PHE 92 Ca -0.02 -0.09 -0.59 0.00 2.81 0.00 0.00 57.97 60.07 1sy9 h PHE 92 Cb 0.51 -0.35 -0.06 0.00 3.61 0.00 0.00 35.95 39.66 1sy9 h PHE 92 CO 0.07 0.88 1.99 -3.47 -1.61 0.00 0.00 178.31 176.17 1sy9 n ASP 93 N -4.28 4.34 -0.34 2.17 -0.08 0.18 -4.72 116.55 113.82 1sy9 n ASP 93 Ca 0.07 -2.85 -0.03 0.00 -1.51 0.00 0.00 54.79 50.46 1sy9 n ASP 93 Cb 0.19 -1.72 0.09 0.00 2.34 0.00 0.00 41.12 42.02 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 8.01 1.19 0.00 -0.67 3.64 -1.76 -2.61 116.57 124.37 1sy9 h LYS 94 Ca 0.40 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.63 1sy9 h LYS 94 Cb 0.87 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1sy9 h LYS 94 CO 1.44 0.79 -0.68 0.38 -2.27 0.00 0.00 179.45 179.12 1sy9 h ASP 95 N 1.23 0.00 -2.24 4.20 2.03 -1.92 -3.48 116.42 116.24 1sy9 h ASP 95 Ca 0.33 0.00 -0.25 0.00 -0.73 0.00 0.00 57.03 56.38 1sy9 h ASP 95 Cb -0.14 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.37 1sy9 h ASP 95 CO -0.07 0.30 -0.35 0.61 -1.03 0.00 0.00 179.24 178.71 1sy9 n GLY 96 N 1.22 -0.12 0.05 7.15 0.00 -0.99 -4.90 105.19 107.61 1sy9 n GLY 96 Ca -0.00 -0.30 0.12 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.61 0.33 0.00 1.61 6.94 -1.26 -4.88 115.26 117.38 1sy9 n ASN 97 Ca -0.12 0.55 0.00 0.00 -0.02 0.00 0.00 54.58 54.99 1sy9 n ASN 97 Cb 0.60 -0.63 0.00 0.00 -2.36 0.00 0.00 39.78 37.39 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 0.87 2.17 3.12 4.83 0.00 -1.26 -5.08 105.19 109.84 1sy9 n GLY 98 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.00 0.02 -0.09 1.61 1.13 -1.26 -2.03 117.35 114.73 1sy9 s TYR 99 Ca 0.00 -0.10 -0.21 0.00 -1.41 0.00 0.00 57.07 55.36 1sy9 s TYR 99 Cb 0.00 -0.03 -0.04 0.00 -1.10 0.00 0.00 41.96 40.79 1sy9 s TYR 99 CO 0.00 -0.30 0.58 0.42 -2.51 0.00 0.00 175.55 173.74 1sy9 s ILE 100 N -1.40 5.11 0.71 -3.49 1.01 -0.82 -4.92 121.20 117.40 1sy9 s ILE 100 Ca -0.15 1.19 -0.05 0.00 0.00 0.00 0.00 60.65 61.65 1sy9 s ILE 100 Cb -0.07 -3.92 0.09 0.00 0.01 0.00 0.00 42.46 38.56 1sy9 s ILE 100 CO 0.02 0.30 1.00 -0.44 0.00 0.00 0.00 174.94 175.82 1sy9 s SER 101 N 0.65 4.58 0.16 3.58 0.01 -1.26 -3.96 113.70 117.45 1sy9 s SER 101 Ca 0.31 0.13 -0.10 0.00 1.31 0.00 0.00 55.95 57.61 1sy9 s SER 101 Cb -0.16 -0.68 0.01 0.00 0.21 0.00 0.00 66.02 65.39 1sy9 s SER 101 CO 0.14 -1.72 1.56 0.00 0.41 0.00 0.00 173.24 173.63 1sy9 h ALA 102 N -0.58 0.70 -0.90 1.44 0.00 -1.96 -2.78 119.26 115.18 1sy9 h ALA 102 Ca -0.42 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.08 1sy9 h ALA 102 Cb 1.29 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1sy9 h ALA 102 CO 0.51 0.68 0.48 0.00 0.00 0.00 0.00 179.25 180.92 1sy9 h ALA 103 N 0.88 1.15 -0.88 0.00 0.00 -2.00 -2.16 119.26 116.25 1sy9 h ALA 103 Ca 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1sy9 h ALA 103 Cb 0.78 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1sy9 h ALA 103 CO 0.07 0.67 0.45 0.93 0.00 0.00 0.00 179.25 181.37 1sy9 h GLU 104 N 1.26 1.25 -0.75 0.00 5.08 -1.85 -2.28 114.58 117.29 1sy9 h GLU 104 Ca 0.32 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 1sy9 h GLU 104 Cb 0.04 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.02 1sy9 h GLU 104 CO -0.05 0.93 0.27 -0.07 -1.00 0.00 0.00 179.01 179.09 1sy9 h LEU 105 N 1.24 1.07 -1.70 1.33 -0.00 -1.17 -2.48 115.31 113.60 1sy9 h LEU 105 Ca 0.31 -0.19 -0.01 0.00 -0.00 0.00 0.00 57.88 57.98 1sy9 h LEU 105 Cb 0.07 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 40.44 1sy9 h LEU 105 CO -0.04 0.97 0.04 0.03 -0.00 0.00 0.00 178.44 179.44 1sy9 h ARG 106 N 1.10 0.23 -0.14 1.13 3.08 -0.85 -2.84 114.38 116.10 1sy9 h ARG 106 Ca 0.25 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1sy9 h ARG 106 Cb 0.26 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1sy9 h ARG 106 CO -0.01 0.22 0.09 1.25 -1.07 0.00 0.00 179.97 180.45 1sy9 h HIS 107 N 0.24 0.18 -0.19 3.04 2.76 -1.07 -2.36 115.15 117.74 1sy9 h HIS 107 Ca 0.06 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.15 1sy9 h HIS 107 Cb 0.09 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 28.99 1sy9 h HIS 107 CO 0.00 0.11 -0.20 0.28 -1.30 0.00 0.00 177.93 176.82 1sy9 h VAL 108 N 0.19 1.33 -0.37 5.26 2.07 -1.58 -2.61 116.25 120.54 1sy9 h VAL 108 Ca 0.05 -1.37 0.02 0.00 0.82 0.00 0.00 66.70 66.22 1sy9 h VAL 108 Cb -0.02 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 1sy9 h VAL 108 CO -0.01 0.42 0.20 0.24 0.02 0.00 0.00 177.57 178.43 1sy9 h MET 109 N 0.14 0.40 -0.14 1.57 2.07 -1.48 0.41 114.93 117.90 1sy9 h MET 109 Ca 0.03 -0.02 -0.02 0.00 -2.07 0.00 0.00 59.70 57.61 1sy9 h MET 109 Cb 0.75 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 30.38 1sy9 h MET 109 CO 0.05 0.26 0.00 1.15 1.07 0.00 0.00 176.91 179.45 1sy9 h THR 110 N 0.41 1.25 -0.13 2.22 2.02 -1.49 -0.71 112.91 116.47 1sy9 h THR 110 Ca 0.15 -0.82 -0.02 0.00 0.77 0.00 0.00 66.41 66.50 1sy9 h THR 110 Cb 0.04 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 1sy9 h THR 110 CO -0.09 0.24 -0.01 0.78 0.37 0.00 0.00 175.52 176.81 1sy9 h ASN 111 N -0.00 0.17 -0.38 4.18 2.35 -1.27 -2.11 115.58 118.52 1sy9 h ASN 111 Ca 0.04 -0.02 -0.16 0.00 -0.55 0.00 0.00 56.30 55.61 1sy9 h ASN 111 Cb 0.36 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1sy9 h ASN 111 CO 0.01 0.22 -0.40 -0.07 -1.65 0.00 0.00 177.43 175.54 1sy9 h LEU 112 N 0.19 1.01 0.00 1.61 3.38 0.25 -3.48 115.31 118.27 1sy9 h LEU 112 Ca 0.05 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1sy9 h LEU 112 Cb 0.15 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1sy9 h LEU 112 CO 0.00 1.27 0.00 0.61 0.09 0.00 0.00 178.44 180.42 1sy9 n GLY 113 N 0.15 1.47 2.93 0.83 0.00 -0.37 -5.08 105.19 105.12 1sy9 n GLY 113 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.13 0.84 -0.20 1.61 2.56 -0.62 -5.04 118.70 117.72 1sy9 s GLU 114 Ca 0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 54.97 54.72 1sy9 s GLU 114 Cb 0.00 -0.82 -0.04 0.00 2.00 0.00 0.00 34.13 35.27 1sy9 s GLU 114 CO 0.00 -0.01 0.09 0.15 -0.56 0.00 0.00 175.26 174.93 1sy9 s LYS 115 N 0.62 3.98 0.11 4.30 1.02 -1.26 -4.05 119.74 124.45 1sy9 s LYS 115 Ca -0.09 -0.33 0.03 0.00 0.02 0.00 0.00 55.97 55.60 1sy9 s LYS 115 Cb -0.12 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.84 1sy9 s LYS 115 CO 0.00 0.18 -0.09 -0.51 -0.92 0.00 0.00 175.35 174.02 1sy9 s LEU 116 N 0.64 2.46 0.60 3.17 1.43 -1.26 -5.15 118.68 120.57 1sy9 s LEU 116 Ca 0.05 -0.91 -0.09 0.00 -1.03 0.00 0.00 54.13 52.15 1sy9 s LEU 116 Cb -0.13 -0.22 -0.02 0.00 0.03 0.00 0.00 46.19 45.86 1sy9 s LEU 116 CO 0.01 -0.35 0.96 -0.89 0.23 0.00 0.00 176.35 176.31 1sy9 s THR 117 N -3.01 4.23 0.56 5.49 2.01 -1.26 -4.92 115.64 118.75 1sy9 s THR 117 Ca 0.09 0.43 0.25 0.00 0.31 0.00 0.00 61.69 62.77 1sy9 s THR 117 Cb 0.01 -3.68 0.32 0.00 0.01 0.00 0.00 72.50 69.16 1sy9 s THR 117 CO -0.02 -0.80 2.22 -0.78 -0.69 0.00 0.00 174.62 174.55 1sy9 h ASP 118 N -0.24 0.00 -0.02 3.53 1.82 -2.01 0.40 116.42 119.90 1sy9 h ASP 118 Ca -0.45 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.06 1sy9 h ASP 118 Cb 1.22 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.22 1sy9 h ASP 118 CO 0.62 0.00 -0.40 -0.33 -1.61 0.00 0.00 179.24 177.52 1sy9 h GLU 119 N 0.00 0.53 -0.67 0.28 5.08 -1.99 -1.74 114.58 116.07 1sy9 h GLU 119 Ca -0.00 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.01 1sy9 h GLU 119 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1sy9 h GLU 119 CO 0.00 0.84 0.10 0.93 -1.00 0.00 0.00 179.01 179.88 1sy9 h GLU 120 N 0.44 1.12 -0.37 2.33 5.08 -1.28 -2.37 114.58 119.52 1sy9 h GLU 120 Ca 0.04 -0.30 -0.17 0.00 -1.00 0.00 0.00 59.36 57.93 1sy9 h GLU 120 Cb 0.89 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 1sy9 h GLU 120 CO 0.08 1.02 -0.41 0.28 -1.00 0.00 0.00 179.01 178.98 1sy9 h VAL 121 N 1.04 1.27 -0.60 3.13 2.07 -1.27 -3.04 116.25 118.85 1sy9 h VAL 121 Ca 0.20 -1.59 0.01 0.00 0.82 0.00 0.00 66.70 66.14 1sy9 h VAL 121 Cb 0.45 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1sy9 h VAL 121 CO 0.01 0.53 0.40 -0.78 0.02 0.00 0.00 177.57 177.75 1sy9 h ASP 122 N 0.76 0.69 -0.87 0.57 1.82 -1.13 -2.29 116.42 115.97 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 1.01 -0.17 -0.04 0.00 0.68 0.00 0.00 39.33 40.81 1sy9 h ASP 122 CO 0.10 0.50 0.58 -0.08 -1.61 0.00 0.00 179.24 178.73 1sy9 h GLU 123 N 0.82 1.15 -0.87 0.28 4.81 -1.41 -1.34 114.58 118.01 1sy9 h GLU 123 Ca 0.22 -0.07 0.08 0.00 -0.13 0.00 0.00 59.36 59.46 1sy9 h GLU 123 Cb -0.09 -0.26 -0.06 0.00 0.63 0.00 0.00 28.75 28.97 1sy9 h GLU 123 CO -0.05 0.76 0.57 0.52 -0.73 0.00 0.00 179.01 180.08 1sy9 h MET 124 N 1.19 0.88 -0.57 1.92 2.86 -1.30 0.10 114.93 120.01 1sy9 h MET 124 Ca 0.32 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.82 1sy9 h MET 124 Cb -0.14 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.31 1sy9 h MET 124 CO -0.07 0.58 0.01 0.82 1.06 0.00 0.00 176.91 179.31 1sy9 h ILE 125 N 0.90 1.26 -0.90 -1.22 2.04 -1.03 -2.85 117.51 115.72 1sy9 h ILE 125 Ca 0.39 -1.10 0.07 0.00 1.00 0.00 0.00 64.86 65.23 1sy9 h ILE 125 Cb 0.34 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 37.17 1sy9 h ILE 125 CO -0.16 0.40 0.58 -0.09 0.00 0.00 0.00 178.15 178.88 1sy9 h ARG 126 N 0.89 0.97 -0.89 2.37 2.43 -0.10 0.62 114.38 120.68 1sy9 h ARG 126 Ca 0.17 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1sy9 h ARG 126 Cb 0.51 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.80 1sy9 h ARG 126 CO 0.03 0.64 0.59 0.93 -1.51 0.00 0.00 179.97 180.65 1sy9 h GLU 127 N 1.00 1.17 -0.06 0.20 5.08 -1.18 -2.65 114.58 118.14 1sy9 h GLU 127 Ca 0.39 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1sy9 h GLU 127 Cb 0.22 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1sy9 h GLU 127 CO -0.15 0.77 0.00 0.00 -1.00 0.00 0.00 179.01 178.63 1sy9 n ALA 128 N -2.40 2.46 -2.23 3.43 0.00 -0.69 -4.74 120.51 116.34 1sy9 n ALA 128 Ca 0.10 -0.69 -0.42 0.00 0.00 0.00 0.00 53.44 52.43 1sy9 n ALA 128 Cb 0.02 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 1.11 4.83 -0.19 0.00 2.03 0.21 -4.73 116.55 119.80 1sy9 n ASP 129 Ca 0.12 -3.05 -0.10 0.00 0.52 0.00 0.00 54.79 52.28 1sy9 n ASP 129 Cb 0.49 -1.52 0.01 0.00 -0.72 0.00 0.00 41.12 39.38 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 3.84 1.27 0.00 5.18 2.04 -1.85 -2.77 117.51 125.22 1sy9 h ILE 130 Ca 0.43 -1.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.03 1sy9 h ILE 130 Cb 0.64 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1sy9 h ILE 130 CO 1.67 0.45 -0.01 -2.24 0.00 0.00 0.00 178.15 178.01 1sy9 h ASP 131 N 0.94 0.00 0.00 1.72 2.03 -1.94 -3.47 116.42 115.70 1sy9 h ASP 131 Ca 0.15 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.45 1sy9 h ASP 131 Cb 0.67 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.17 1sy9 h ASP 131 CO 0.05 0.01 0.00 0.61 -1.03 0.00 0.00 179.24 178.88 1sy9 n GLY 132 N 0.37 0.40 0.00 7.15 0.00 -1.05 -4.93 105.19 107.14 1sy9 n GLY 132 Ca 0.02 -1.00 0.14 0.00 0.00 0.00 0.00 46.02 45.17 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 1.95 0.14 0.00 1.61 5.75 -1.26 -4.91 116.55 119.83 1sy9 n ASP 133 Ca 0.00 0.34 0.00 0.00 -0.01 0.00 0.00 54.79 55.12 1sy9 n ASP 133 Cb 0.17 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 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 1.49 0.74 3.00 6.12 0.00 -1.26 -5.04 105.19 110.24 1sy9 n GLY 134 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.52 0.36 -0.30 1.61 -0.21 -1.26 -4.95 119.66 114.39 1sy9 s GLN 135 Ca 0.00 -0.61 -0.18 0.00 0.02 0.00 0.00 55.36 54.59 1sy9 s GLN 135 Cb 0.00 -0.02 -0.02 0.00 1.00 0.00 0.00 33.01 33.97 1sy9 s GLN 135 CO 0.00 -0.01 0.52 0.08 -2.12 0.00 0.00 175.29 173.75 1sy9 s VAL 136 N -1.33 5.04 0.72 1.09 1.01 -1.25 -4.74 120.40 120.95 1sy9 s VAL 136 Ca -0.13 0.68 -0.03 0.00 0.00 0.00 0.00 61.98 62.50 1sy9 s VAL 136 Cb -0.09 -3.88 0.12 0.00 0.00 0.00 0.00 36.38 32.52 1sy9 s VAL 136 CO -0.01 -0.04 1.00 0.20 0.00 0.00 0.00 175.10 176.26 1sy9 s ASN 137 N 1.64 4.38 0.11 3.32 0.01 -1.26 -1.95 114.94 121.19 1sy9 s ASN 137 Ca 0.20 -0.16 -0.21 0.00 -0.71 0.00 0.00 52.86 51.98 1sy9 s ASN 137 Cb -0.15 -0.28 -0.11 0.00 0.41 0.00 0.00 41.25 41.11 1sy9 s ASN 137 CO 0.11 -1.83 1.76 0.22 -1.51 0.00 0.00 177.10 175.84 1sy9 h TYR 138 N -0.58 0.13 -0.40 2.20 5.03 -1.83 -2.03 116.97 119.49 1sy9 h TYR 138 Ca -0.39 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.93 1sy9 h TYR 138 Cb 1.27 -0.04 -0.02 0.00 1.55 0.00 0.00 36.73 39.49 1sy9 h TYR 138 CO -0.17 0.08 0.26 0.93 -1.32 0.00 0.00 178.16 177.94 1sy9 h GLU 139 N 0.13 0.52 -0.41 1.82 4.39 -1.94 -2.44 114.58 116.65 1sy9 h GLU 139 Ca 0.04 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 1sy9 h GLU 139 Cb -0.01 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 1sy9 h GLU 139 CO -0.01 0.35 0.10 0.93 -1.16 0.00 0.00 179.01 179.22 1sy9 h GLU 140 N 0.54 0.61 -1.01 2.33 5.08 -1.85 -2.32 114.58 117.96 1sy9 h GLU 140 Ca 0.14 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1sy9 h GLU 140 Cb -0.06 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.04 1sy9 h GLU 140 CO -0.03 0.56 0.67 0.35 -1.00 0.00 0.00 179.01 179.56 1sy9 h PHE 141 N 0.59 1.26 -0.36 4.33 3.04 -0.89 -2.54 116.94 122.38 1sy9 h PHE 141 Ca 0.14 0.03 -0.16 0.00 3.98 0.00 0.00 57.97 61.96 1sy9 h PHE 141 Cb 0.23 -0.43 -0.00 0.00 2.56 0.00 0.00 35.95 38.31 1sy9 h PHE 141 CO 0.01 0.80 -0.39 0.28 -2.02 0.00 0.00 178.31 176.98 1sy9 h VAL 142 N 1.36 1.28 -0.89 1.41 2.07 -1.15 -3.17 116.25 117.16 1sy9 h VAL 142 Ca 0.37 -1.57 0.01 0.00 0.82 0.00 0.00 66.70 66.33 1sy9 h VAL 142 Cb -0.16 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1sy9 h VAL 142 CO -0.08 0.52 0.57 1.56 0.02 0.00 0.00 177.57 180.16 1sy9 h GLN 143 N 0.70 1.18 -1.00 1.57 4.20 -1.20 -1.81 115.11 118.75 1sy9 h GLN 143 Ca 0.05 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.69 1sy9 h GLN 143 Cb 0.99 -0.26 -0.05 0.00 0.30 0.00 0.00 27.48 28.46 1sy9 h GLN 143 CO 0.10 0.79 0.67 1.98 -0.67 0.00 0.00 178.83 181.69 1sy9 h MET 144 N 1.21 1.32 -0.37 1.46 4.05 -1.45 0.91 114.93 122.06 1sy9 h MET 144 Ca 0.32 -0.08 -0.16 0.00 -0.28 0.00 0.00 59.70 59.50 1sy9 h MET 144 Cb -0.12 -0.30 -0.01 0.00 -0.80 0.00 0.00 31.60 30.38 1sy9 h MET 144 CO -0.07 0.87 -0.41 0.52 0.23 0.00 0.00 176.91 178.05 1sy9 h MET 145 N 1.36 0.93 -0.58 0.39 2.86 -1.43 -3.10 114.93 115.36 1sy9 h MET 145 Ca 0.37 -0.51 -0.05 0.00 -2.06 0.00 0.00 59.70 57.46 1sy9 h MET 145 Cb -0.15 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 1sy9 h MET 145 CO -0.08 1.16 0.06 -2.37 1.06 0.00 0.00 176.91 176.73 1sy9 n THR 146 N -4.05 2.77 -2.71 2.22 5.66 -0.72 -4.96 114.28 112.49 1sy9 n THR 146 Ca -0.03 -1.52 -0.42 0.00 -3.05 0.00 0.00 64.05 59.03 1sy9 n THR 146 Cb 0.56 -0.29 -0.03 0.00 -1.55 0.00 0.00 70.33 69.02 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 -2.84 3.17 -2.00 1.79 0.00 0.31 -4.98 121.76 117.22 1sy9 s ALA 147 Ca 0.54 0.54 0.14 0.00 0.00 0.00 0.00 51.96 53.17 1sy9 s ALA 147 Cb 0.42 -3.34 0.83 0.00 0.00 0.00 0.00 23.12 21.02 1sy9 s ALA 147 CO 0.15 -0.25 1.25 0.36 0.00 0.00 0.00 175.76 177.27