#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 3.75 -3.02 0.00 8.00 -1.26 -5.01 116.55 119.02 1sy9 n ASP 2 Ca 0.00 -2.46 -0.12 0.00 0.71 0.00 0.00 54.79 52.92 1sy9 n ASP 2 Cb 0.00 -0.43 0.11 0.00 -0.02 0.00 0.00 41.12 40.78 1sy9 n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sy9 n GLN 3 N 0.34 -2.56 -4.46 -1.24 0.00 -1.26 -5.07 117.38 103.13 1sy9 n GLN 3 Ca 0.19 -0.66 -0.24 0.00 0.00 0.00 0.00 57.00 56.29 1sy9 n GLN 3 Cb 0.71 -0.73 -0.08 0.00 0.00 0.00 0.00 30.24 30.13 1sy9 n GLN 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1sy9 s LEU 4 N 0.00 1.94 -0.23 2.61 1.43 -1.26 -5.14 118.68 118.03 1sy9 s LEU 4 Ca 0.29 -1.64 -0.04 0.00 -1.03 0.00 0.00 54.13 51.70 1sy9 s LEU 4 Cb -0.04 -0.02 0.08 0.00 0.03 0.00 0.00 46.19 46.24 1sy9 s LEU 4 CO 0.23 -0.92 0.11 0.42 0.23 0.00 0.00 176.35 176.42 1sy9 s THR 5 N -3.30 -0.09 -1.13 5.49 -4.23 -1.26 -4.99 115.64 106.14 1sy9 s THR 5 Ca 0.28 -0.44 0.26 0.00 -1.18 0.00 0.00 61.69 60.62 1sy9 s THR 5 Cb 0.03 -0.76 0.13 0.00 1.34 0.00 0.00 72.50 73.24 1sy9 s THR 5 CO 0.16 -0.49 1.60 -0.62 -0.54 0.00 0.00 174.62 174.73 1sy9 n GLU 6 N 5.27 0.14 0.01 3.99 1.02 -1.26 -3.94 120.64 125.87 1sy9 n GLU 6 Ca -0.06 -0.07 -0.07 0.00 -0.02 0.00 0.00 57.16 56.94 1sy9 n GLU 6 Cb 0.46 -1.50 0.10 0.00 -0.02 0.00 0.00 31.44 30.48 1sy9 n GLU 6 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1sy9 h GLU 7 N 0.16 0.53 -0.34 3.49 4.11 -2.02 -3.03 114.58 117.47 1sy9 h GLU 7 Ca 0.00 -0.29 -0.13 0.00 0.07 0.00 0.00 59.36 59.01 1sy9 h GLU 7 Cb 0.49 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1sy9 h GLU 7 CO 0.00 0.87 -0.32 1.96 0.07 0.00 0.00 179.01 181.60 1sy9 h GLN 8 N 0.42 0.75 -0.19 1.06 4.20 -2.02 -3.01 115.11 116.32 1sy9 h GLN 8 Ca 0.03 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.40 1sy9 h GLN 8 Cb 0.96 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 1sy9 h GLN 8 CO 0.09 0.96 0.13 0.82 -0.67 0.00 0.00 178.83 180.16 1sy9 h ILE 9 N 0.63 1.04 -0.94 2.54 2.04 -1.70 -2.05 117.51 119.07 1sy9 h ILE 9 Ca 0.07 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.85 1sy9 h ILE 9 Cb 0.84 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 1sy9 h ILE 9 CO 0.07 0.05 0.62 0.00 0.00 0.00 0.00 178.15 178.89 1sy9 h ALA 10 N 1.88 1.32 -1.01 1.87 0.00 -1.49 -2.22 119.26 119.61 1sy9 h ALA 10 Ca 0.07 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1sy9 h ALA 10 Cb -0.02 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 17.34 1sy9 h ALA 10 CO -0.02 0.63 0.67 0.93 0.00 0.00 0.00 179.25 181.46 1sy9 h GLU 11 N 1.28 1.33 0.00 0.00 5.08 -1.48 -1.06 114.58 119.73 1sy9 h GLU 11 Ca 0.34 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.61 1sy9 h GLU 11 Cb -0.14 -0.30 -0.00 0.00 0.50 0.00 0.00 28.75 28.81 1sy9 h GLU 11 CO -0.07 0.88 -0.08 0.74 -1.00 0.00 0.00 179.01 179.48 1sy9 h PHE 12 N 1.37 0.00 -0.45 4.33 0.04 -1.43 -2.34 116.94 118.46 1sy9 h PHE 12 Ca 0.37 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 61.00 1sy9 h PHE 12 Cb -0.16 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 37.98 1sy9 h PHE 12 CO 0.00 0.08 -0.28 0.87 -0.60 0.00 0.00 178.31 178.38 1sy9 h LYS 13 N 0.00 0.99 0.60 1.51 1.79 -1.01 -2.42 116.57 118.02 1sy9 h LYS 13 Ca -0.00 -0.46 -0.03 0.00 -2.18 0.00 0.00 60.65 57.98 1sy9 h LYS 13 Cb 0.34 -0.02 0.01 0.00 -1.58 0.00 0.00 32.23 30.98 1sy9 h LYS 13 CO 0.01 1.13 -0.29 0.93 -1.08 0.00 0.00 179.45 180.15 1sy9 h GLU 14 N 0.83 -0.77 0.00 3.15 5.08 -1.35 -3.04 114.58 118.48 1sy9 h GLU 14 Ca 0.09 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1sy9 h GLU 14 Cb 0.87 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 1sy9 h GLU 14 CO 0.08 -0.47 -0.04 0.00 -1.00 0.00 0.00 179.01 177.58 1sy9 h ALA 15 N -0.63 1.52 -0.65 3.43 0.00 -1.57 -2.88 119.26 118.49 1sy9 h ALA 15 Ca -0.08 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1sy9 h ALA 15 Cb 0.66 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1sy9 h ALA 15 CO 0.13 0.05 0.43 0.35 0.00 0.00 0.00 179.25 180.21 1sy9 h PHE 16 N 0.00 0.81 -0.47 0.00 3.04 -1.31 -1.29 116.94 117.73 1sy9 h PHE 16 Ca -0.00 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.94 1sy9 h PHE 16 Cb 0.10 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 38.31 1sy9 h PHE 16 CO 0.00 0.51 0.19 0.66 -2.02 0.00 0.00 178.31 177.65 1sy9 h SER 17 N 0.87 0.60 -0.58 0.41 4.64 -1.57 0.47 113.55 118.40 1sy9 h SER 17 Ca 0.24 -0.07 -0.11 0.00 -0.47 0.00 0.00 61.79 61.38 1sy9 h SER 17 Cb -0.10 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 61.81 1sy9 h SER 17 CO -0.05 0.55 -0.05 0.25 -0.87 0.00 0.00 176.83 176.65 1sy9 h LEU 18 N 0.66 1.06 -0.37 5.97 6.46 -1.46 -2.76 115.31 124.87 1sy9 h LEU 18 Ca 0.16 -0.33 -0.16 0.00 -0.12 0.00 0.00 57.88 57.43 1sy9 h LEU 18 Cb 0.14 -0.29 -0.00 0.00 -0.73 0.00 0.00 40.66 39.77 1sy9 h LEU 18 CO -0.02 1.13 -0.41 -0.26 -0.62 0.00 0.00 178.44 178.27 1sy9 h PHE 19 N 0.96 1.13 -2.65 1.25 0.04 -0.37 -3.36 116.94 113.93 1sy9 h PHE 19 Ca 0.16 -0.35 -0.72 0.00 2.80 0.00 0.00 57.97 59.87 1sy9 h PHE 19 Cb 0.62 -0.23 -0.19 0.00 2.20 0.00 0.00 35.95 38.35 1sy9 h PHE 19 CO 0.04 1.18 0.75 0.34 -0.60 0.00 0.00 178.31 180.03 1sy9 s ASP 20 N -6.85 6.72 0.43 2.17 2.15 0.16 -4.80 116.67 116.65 1sy9 s ASP 20 Ca -0.11 -2.29 0.09 0.00 0.43 0.00 0.00 52.55 50.67 1sy9 s ASP 20 Cb 0.11 -2.36 0.95 0.00 -0.30 0.00 0.00 42.92 41.31 1sy9 s ASP 20 CO 0.88 -0.93 2.08 0.11 -0.17 0.00 0.00 175.17 177.15 1sy9 h LYS 21 N 8.42 0.43 0.00 4.34 1.79 -1.72 -1.75 116.57 128.08 1sy9 h LYS 21 Ca 0.17 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 1sy9 h LYS 21 Cb 1.01 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 1sy9 h LYS 21 CO 1.06 0.28 -0.01 -0.25 -1.08 0.00 0.00 179.45 179.45 1sy9 n ASP 22 N -4.49 0.02 -2.07 0.86 8.00 -1.26 -4.89 116.55 112.72 1sy9 n ASP 22 Ca 0.02 0.49 -0.19 0.00 0.71 0.00 0.00 54.79 55.82 1sy9 n ASP 22 Cb 0.07 -0.49 -0.04 0.00 -0.02 0.00 0.00 41.12 40.64 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 0.40 0.11 0.44 0.00 -0.66 -4.83 105.19 102.15 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 -1.65 0.63 0.00 1.61 5.75 -1.26 -4.93 116.55 116.71 1sy9 n ASP 24 Ca -0.21 -0.47 0.00 0.00 -0.01 0.00 0.00 54.79 54.10 1sy9 n ASP 24 Cb 0.65 0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.82 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 1.40 0.69 3.00 6.12 0.00 -1.26 -5.07 105.19 110.07 1sy9 n GLY 25 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 1sy9 n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sy9 s THR 26 N -2.14 0.01 -0.28 2.61 -4.23 -1.26 -4.48 115.64 105.88 1sy9 s THR 26 Ca 0.00 -0.10 -0.12 0.00 -1.18 0.00 0.00 61.69 60.29 1sy9 s THR 26 Cb 0.00 -0.20 -0.05 0.00 1.34 0.00 0.00 72.50 73.60 1sy9 s THR 26 CO 0.00 -0.05 0.25 -0.63 -0.54 0.00 0.00 174.62 173.65 1sy9 s ILE 27 N -0.12 5.26 0.84 2.99 1.01 -1.24 -4.86 121.20 125.08 1sy9 s ILE 27 Ca -0.02 0.31 -0.10 0.00 0.00 0.00 0.00 60.65 60.84 1sy9 s ILE 27 Cb -0.02 -3.59 0.15 0.00 0.01 0.00 0.00 42.46 39.01 1sy9 s ILE 27 CO 0.00 0.22 1.17 0.42 0.00 0.00 0.00 174.94 176.75 1sy9 s THR 28 N 1.86 2.09 0.17 2.92 -4.23 -1.26 -4.33 115.64 112.85 1sy9 s THR 28 Ca 0.10 -0.20 0.03 0.00 -1.18 0.00 0.00 61.69 60.44 1sy9 s THR 28 Cb -0.16 -2.88 -0.15 0.00 1.34 0.00 0.00 72.50 70.65 1sy9 s THR 28 CO 0.11 0.00 1.38 0.71 -0.54 0.00 0.00 174.62 176.28 1sy9 h THR 29 N -1.12 1.51 -0.43 3.99 1.35 -1.95 -3.17 112.91 113.10 1sy9 h THR 29 Ca -0.42 -2.66 -0.11 0.00 -0.55 0.00 0.00 66.41 62.67 1sy9 h THR 29 Cb 1.27 2.48 -0.01 0.00 -1.73 0.00 0.00 68.15 70.16 1sy9 h THR 29 CO 0.45 0.77 -0.15 0.11 -0.25 0.00 0.00 175.52 176.46 1sy9 h LYS 30 N 0.09 0.86 0.74 4.72 1.57 -2.00 -2.34 116.57 120.21 1sy9 h LYS 30 Ca -0.04 -0.35 -0.04 0.00 -1.87 0.00 0.00 60.65 58.36 1sy9 h LYS 30 Cb 1.51 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.78 1sy9 h LYS 30 CO 0.13 0.99 -0.36 0.93 -0.57 0.00 0.00 179.45 180.57 1sy9 h GLU 31 N 0.68 -0.96 -0.93 3.15 5.08 -1.95 -3.07 114.58 116.59 1sy9 h GLU 31 Ca 0.10 0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1sy9 h GLU 31 Cb 0.70 0.22 -0.05 0.00 0.50 0.00 0.00 28.75 30.12 1sy9 h GLU 31 CO 0.05 -0.63 0.62 1.25 -1.00 0.00 0.00 179.01 179.30 1sy9 h LEU 32 N -1.02 1.06 -1.98 1.33 5.85 -1.61 -2.42 115.31 116.52 1sy9 h LEU 32 Ca -0.10 -0.03 0.34 0.00 0.84 0.00 0.00 57.88 58.93 1sy9 h LEU 32 Cb 0.77 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 1sy9 h LEU 32 CO 0.17 0.77 0.85 1.23 -0.34 0.00 0.00 178.44 181.12 1sy9 h GLY 33 N 1.26 0.00 1.11 3.75 0.00 -1.31 0.58 103.07 108.45 1sy9 h GLY 33 Ca 0.34 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.54 1sy9 h GLY 33 CO -0.07 0.00 -0.21 -0.84 0.00 0.00 0.00 176.54 175.42 1sy9 h THR 34 N 0.00 1.27 -0.42 4.70 2.02 -1.47 -2.61 112.91 116.40 1sy9 h THR 34 Ca 0.55 -1.38 -0.03 0.00 0.77 0.00 0.00 66.41 66.32 1sy9 h THR 34 Cb 2.25 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 69.75 1sy9 h THR 34 CO -0.01 0.48 0.12 0.58 0.37 0.00 0.00 175.52 177.07 1sy9 h VAL 35 N 0.87 1.22 -1.01 3.16 2.07 0.03 -2.78 116.25 119.81 1sy9 h VAL 35 Ca 0.11 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 66.91 1sy9 h VAL 35 Cb 0.79 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 1sy9 h VAL 35 CO 0.07 0.26 0.67 0.24 0.02 0.00 0.00 177.57 178.83 1sy9 h MET 36 N 0.53 1.33 -0.80 1.57 2.86 -1.34 -1.71 114.93 117.37 1sy9 h MET 36 Ca 0.13 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 1sy9 h MET 36 Cb 0.27 -0.30 -0.04 0.00 0.06 0.00 0.00 31.60 31.59 1sy9 h MET 36 CO -0.00 0.88 0.47 0.00 1.06 0.00 0.00 176.91 179.31 1sy9 h ARG 37 N 1.37 1.09 0.00 1.72 2.47 -1.28 -0.64 114.38 119.11 1sy9 h ARG 37 Ca 0.37 -0.10 -0.03 0.00 -1.26 0.00 0.00 59.98 58.95 1sy9 h ARG 37 Cb -0.16 -0.23 -0.00 0.00 -1.65 0.00 0.00 29.97 27.93 1sy9 h ARG 37 CO -0.08 0.78 -0.15 1.03 0.56 0.00 0.00 179.97 182.11 1sy9 h SER 38 N 1.10 0.00 0.53 7.04 0.87 -1.05 -2.09 113.55 119.96 1sy9 h SER 38 Ca 0.29 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1sy9 h SER 38 Cb -0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1sy9 h SER 38 CO -0.05 0.15 -1.08 0.18 -0.53 0.00 0.00 176.83 175.50 1sy9 n LEU 39 N -3.89 0.61 0.00 2.23 4.77 -0.63 -4.96 117.00 115.13 1sy9 n LEU 39 Ca -0.02 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1sy9 n LEU 39 Cb 0.24 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1sy9 n LEU 39 CO 0.32 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1sy9 n GLY 40 N 1.32 -1.48 3.84 -0.72 0.00 -0.34 -5.01 105.19 102.79 1sy9 n GLY 40 Ca 0.01 0.55 -0.06 0.00 0.00 0.00 0.00 46.02 46.51 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 1.67 -0.14 1.61 -2.07 -0.69 -4.75 119.66 115.29 1sy9 s GLN 41 Ca 0.00 -0.92 -0.01 0.00 -1.82 0.00 0.00 55.36 52.60 1sy9 s GLN 41 Cb 0.00 0.57 -0.02 0.00 -1.09 0.00 0.00 33.01 32.47 1sy9 s GLN 41 CO 0.00 -0.77 -0.10 1.21 -1.32 0.00 0.00 175.29 174.31 1sy9 s ASN 42 N -2.93 4.21 0.00 12.60 2.47 -1.26 -2.90 114.94 127.14 1sy9 s ASN 42 Ca 0.11 -0.29 0.00 0.00 0.42 0.00 0.00 52.86 53.10 1sy9 s ASN 42 Cb -0.05 -1.66 0.00 0.00 -1.45 0.00 0.00 41.25 38.09 1sy9 s ASN 42 CO 0.06 0.15 0.00 -0.81 -3.72 0.00 0.00 177.10 172.78 1sy9 n PRO 43 N 3.65 3.06 -4.27 0.43 -0.04 -1.26 -5.00 135.00 131.56 1sy9 n PRO 43 Ca -0.18 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.10 1sy9 n PRO 43 Cb 0.52 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.88 1sy9 n PRO 43 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1sy9 s THR 44 N 0.00 1.46 0.63 0.52 -4.23 -1.26 -4.99 115.64 107.77 1sy9 s THR 44 Ca 0.00 -1.87 0.28 0.00 -1.18 0.00 0.00 61.69 58.92 1sy9 s THR 44 Cb 0.00 -1.70 0.32 0.00 1.34 0.00 0.00 72.50 72.46 1sy9 s THR 44 CO 0.00 -0.47 1.85 -0.33 -0.54 0.00 0.00 174.62 175.13 1sy9 h GLU 45 N 3.24 0.00 0.25 3.99 5.08 -1.97 0.45 114.58 125.62 1sy9 h GLU 45 Ca -0.40 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.95 1sy9 h GLU 45 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1sy9 h GLU 45 CO 0.54 0.00 -0.12 0.00 -1.00 0.00 0.00 179.01 178.43 1sy9 h ALA 46 N 1.29 -0.33 -0.23 3.43 0.00 -2.01 -3.04 119.26 118.37 1sy9 h ALA 46 Ca 0.10 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1sy9 h ALA 46 Cb 1.00 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1sy9 h ALA 46 CO -0.00 -0.38 -0.27 0.93 0.00 0.00 0.00 179.25 179.53 1sy9 h GLU 47 N -0.94 0.45 -0.68 0.00 5.08 -1.57 -2.72 114.58 114.20 1sy9 h GLU 47 Ca -0.03 -0.17 0.07 0.00 -1.00 0.00 0.00 59.36 58.23 1sy9 h GLU 47 Cb 0.49 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 1sy9 h GLU 47 CO 0.06 0.68 0.45 -0.07 -1.00 0.00 0.00 179.01 179.13 1sy9 h LEU 48 N 0.40 0.58 -0.72 1.33 3.38 -0.25 -1.51 115.31 118.51 1sy9 h LEU 48 Ca 0.06 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 1sy9 h LEU 48 Cb 0.68 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1sy9 h LEU 48 CO 0.05 0.37 -0.63 1.56 0.09 0.00 0.00 178.44 179.87 1sy9 h GLN 49 N 0.65 0.02 -0.42 1.13 4.20 -1.36 -2.97 115.11 116.37 1sy9 h GLN 49 Ca 0.30 -0.02 -0.15 0.00 0.06 0.00 0.00 58.65 58.84 1sy9 h GLN 49 Cb 0.33 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1sy9 h GLN 49 CO -0.10 0.65 -0.31 0.22 -0.67 0.00 0.00 178.83 178.62 1sy9 h ASP 50 N 0.02 1.01 -0.68 1.46 1.82 -1.27 -1.83 116.42 116.94 1sy9 h ASP 50 Ca -0.01 -0.44 -0.08 0.00 -0.39 0.00 0.00 57.03 56.12 1sy9 h ASP 50 Cb 1.12 -0.28 -0.03 0.00 0.68 0.00 0.00 39.33 40.83 1sy9 h ASP 50 CO 0.08 1.23 0.12 0.24 -1.61 0.00 0.00 179.24 179.30 1sy9 h MET 51 N 0.79 1.13 -0.24 0.28 2.86 -1.49 -2.68 114.93 115.57 1sy9 h MET 51 Ca 0.08 -0.30 -0.10 0.00 -2.06 0.00 0.00 59.70 57.32 1sy9 h MET 51 Cb 0.90 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 1sy9 h MET 51 CO 0.08 1.02 -0.26 0.82 1.06 0.00 0.00 176.91 179.64 1sy9 h ILE 52 N 1.06 1.27 -1.00 -1.22 2.04 -1.42 -3.14 117.51 115.09 1sy9 h ILE 52 Ca 0.21 -1.28 0.01 0.00 1.00 0.00 0.00 64.86 64.80 1sy9 h ILE 52 Cb 0.44 1.37 -0.05 0.00 -0.74 0.00 0.00 36.82 37.84 1sy9 h ILE 52 CO 0.01 0.40 0.66 0.78 0.00 0.00 0.00 178.15 180.01 1sy9 h ASN 53 N 0.41 1.16 0.37 1.72 2.35 -0.98 0.11 115.58 120.72 1sy9 h ASN 53 Ca 0.06 -0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.73 1sy9 h ASN 53 Cb 0.68 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 1sy9 h ASN 53 CO 0.05 0.84 -0.23 -0.08 -1.65 0.00 0.00 177.43 176.36 1sy9 h GLU 54 N 1.36 0.00 -0.00 0.81 4.81 -1.51 -2.57 114.58 117.48 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 -0.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.23 1sy9 h GLU 54 CO -0.08 0.23 -0.81 0.28 -0.73 0.00 0.00 179.01 177.91 1sy9 n VAL 55 N -3.94 0.00 -2.02 0.32 0.31 -0.83 -4.84 118.33 107.34 1sy9 n VAL 55 Ca -0.02 -0.03 -0.35 0.00 -0.01 0.00 0.00 64.34 63.93 1sy9 n VAL 55 Cb 0.32 0.83 -0.04 0.00 -0.91 0.00 0.00 33.84 34.04 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 -2.93 5.20 0.24 4.52 1.01 0.33 -4.81 116.67 120.23 1sy9 s ASP 56 Ca 0.10 0.12 -0.05 0.00 0.71 0.00 0.00 52.55 53.44 1sy9 s ASP 56 Cb 0.17 -2.54 0.25 0.00 1.01 0.00 0.00 42.92 41.81 1sy9 s ASP 56 CO 0.79 -2.49 1.77 0.00 0.21 0.00 0.00 175.17 175.45 1sy9 h ALA 57 N 14.24 1.08 0.02 5.23 0.00 -1.88 -3.11 119.26 134.84 1sy9 h ALA 57 Ca -0.18 -0.22 -0.30 0.00 0.00 0.00 0.00 54.91 54.21 1sy9 h ALA 57 Cb 1.13 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 1sy9 h ALA 57 CO 1.21 0.62 -1.76 -0.40 0.00 0.00 0.00 179.25 178.92 1sy9 n ASP 58 N -4.25 1.06 0.00 0.00 5.75 -1.26 -4.99 116.55 112.86 1sy9 n ASP 58 Ca 0.05 0.38 0.00 0.00 -0.01 0.00 0.00 54.79 55.21 1sy9 n ASP 58 Cb 0.24 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 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 1.63 0.79 0.16 6.12 0.00 -1.18 -4.97 105.19 107.73 1sy9 n GLY 59 Ca -0.19 -0.50 -0.08 0.00 0.00 0.00 0.00 46.02 45.24 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 0.34 0.00 1.61 -1.07 -1.94 -3.47 115.58 111.05 1sy9 h ASN 60 Ca 0.00 -0.23 0.00 0.00 0.07 0.00 0.00 56.30 56.14 1sy9 h ASN 60 Cb 0.07 -0.10 0.00 0.00 -2.07 0.00 0.00 38.32 36.22 1sy9 h ASN 60 CO 0.00 0.97 0.00 0.61 0.07 0.00 0.00 177.43 179.08 1sy9 n GLY 61 N 0.58 0.58 3.25 9.14 0.00 -1.26 -5.13 105.19 112.35 1sy9 n GLY 61 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.39 0.45 -0.21 2.61 -4.23 -1.26 -4.92 115.64 106.68 1sy9 s THR 62 Ca 0.00 -1.98 -0.06 0.00 -1.18 0.00 0.00 61.69 58.47 1sy9 s THR 62 Cb 0.00 -2.35 -0.03 0.00 1.34 0.00 0.00 72.50 71.47 1sy9 s THR 62 CO 0.00 -0.24 0.02 -0.63 -0.54 0.00 0.00 174.62 173.23 1sy9 s ILE 63 N -3.82 4.07 0.45 2.99 1.01 -1.26 -4.77 121.20 119.87 1sy9 s ILE 63 Ca 0.31 -0.27 0.08 0.00 0.00 0.00 0.00 60.65 60.77 1sy9 s ILE 63 Cb 0.07 -2.86 0.02 0.00 0.01 0.00 0.00 42.46 39.71 1sy9 s ILE 63 CO 0.08 0.41 0.61 -1.81 0.00 0.00 0.00 174.94 174.24 1sy9 s ASP 64 N 1.12 5.55 0.21 3.58 1.01 -1.26 -3.71 116.67 123.16 1sy9 s ASP 64 Ca 0.03 -0.46 -0.14 0.00 0.71 0.00 0.00 52.55 52.70 1sy9 s ASP 64 Cb -0.14 -0.54 0.23 0.00 1.01 0.00 0.00 42.92 43.48 1sy9 s ASP 64 CO 0.02 -0.87 1.63 -0.26 0.21 0.00 0.00 175.17 175.90 1sy9 h PHE 65 N 0.54 -0.33 -0.22 4.23 0.04 -2.00 0.16 116.94 119.36 1sy9 h PHE 65 Ca -0.39 0.06 -0.13 0.00 2.80 0.00 0.00 57.97 60.31 1sy9 h PHE 65 Cb 1.28 0.24 -0.01 0.00 2.20 0.00 0.00 35.95 39.66 1sy9 h PHE 65 CO 0.40 -0.27 -0.41 -1.00 -0.60 0.00 0.00 178.31 176.43 1sy9 h PRO 66 N -0.00 0.51 -0.37 1.51 0.13 -1.98 -2.68 132.00 129.11 1sy9 h PRO 66 Ca 0.30 -0.26 -0.16 0.00 -0.87 0.00 0.00 66.00 65.00 1sy9 h PRO 66 Cb 0.45 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 1sy9 h PRO 66 CO -0.64 0.84 -0.41 0.93 -0.23 0.00 0.00 178.00 178.49 1sy9 h GLU 67 N 0.42 0.93 -0.75 0.86 5.08 -1.63 -3.03 114.58 116.46 1sy9 h GLU 67 Ca 0.04 -0.51 -0.02 0.00 -1.00 0.00 0.00 59.36 57.87 1sy9 h GLU 67 Cb 0.90 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.14 1sy9 h GLU 67 CO 0.08 1.16 0.41 0.35 -1.00 0.00 0.00 179.01 180.01 1sy9 h PHE 68 N 0.76 1.04 -0.67 4.33 3.04 -0.65 -2.97 116.94 121.82 1sy9 h PHE 68 Ca 0.05 -0.03 -0.08 0.00 3.98 0.00 0.00 57.97 61.89 1sy9 h PHE 68 Cb 1.01 -0.33 -0.03 0.00 2.56 0.00 0.00 35.95 39.16 1sy9 h PHE 68 CO 0.06 0.73 0.09 -0.07 -2.02 0.00 0.00 178.31 177.11 1sy9 h LEU 69 N 1.04 1.08 -1.01 0.59 3.38 -1.45 -2.87 115.31 116.07 1sy9 h LEU 69 Ca 0.26 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1sy9 h LEU 69 Cb 0.04 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 1sy9 h LEU 69 CO -0.04 1.07 0.67 0.71 0.09 0.00 0.00 178.44 180.94 1sy9 h THR 70 N 1.04 1.26 -0.54 0.22 1.35 -1.40 -2.61 112.91 112.22 1sy9 h THR 70 Ca 0.20 -0.47 -0.12 0.00 -0.55 0.00 0.00 66.41 65.47 1sy9 h THR 70 Cb 0.46 -0.22 -0.02 0.00 -1.73 0.00 0.00 68.15 66.64 1sy9 h THR 70 CO 0.02 0.25 -0.12 -0.03 -0.25 0.00 0.00 175.52 175.38 1sy9 h MET 71 N 1.36 1.04 0.01 4.72 1.85 -1.45 -2.71 114.93 119.76 1sy9 h MET 71 Ca 0.37 -0.40 -0.00 0.00 -0.61 0.00 0.00 59.70 59.06 1sy9 h MET 71 Cb -0.16 -0.06 -0.00 0.00 0.43 0.00 0.00 31.60 31.81 1sy9 h MET 71 CO -0.08 1.09 -0.01 1.98 -0.40 0.00 0.00 176.91 179.49 1sy9 h MET 72 N 0.92 -0.02 0.00 0.39 -1.53 -1.25 -2.52 114.93 110.92 1sy9 h MET 72 Ca 0.14 0.00 -0.10 0.00 -3.44 0.00 0.00 59.70 56.30 1sy9 h MET 72 Cb 0.70 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.74 1sy9 h MET 72 CO 0.05 -0.01 -0.49 0.00 0.14 0.00 0.00 176.91 176.60 1sy9 h ALA 73 N 0.97 1.19 -0.37 0.39 0.00 -1.55 -3.18 119.26 116.71 1sy9 h ALA 73 Ca -0.00 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.30 1sy9 h ALA 73 Cb 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1sy9 h ALA 73 CO 0.00 0.61 -0.40 -0.09 0.00 0.00 0.00 179.25 179.37 1sy9 h ARG 74 N 0.00 0.93 0.00 0.00 2.43 -1.30 -3.21 114.38 113.23 1sy9 h ARG 74 Ca -0.00 -0.50 -0.08 0.00 -0.81 0.00 0.00 59.98 58.59 1sy9 h ARG 74 Cb 0.87 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.43 1sy9 h ARG 74 CO 0.06 1.16 -0.36 0.87 -1.51 0.00 0.00 179.97 180.19 1sy9 h LYS 75 N 0.75 0.00 -0.13 0.20 1.79 -1.44 -3.30 116.57 114.44 1sy9 h LYS 75 Ca 0.06 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.53 1sy9 h LYS 75 Cb 1.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.64 1sy9 h LYS 75 CO 0.10 0.36 0.06 0.52 -1.08 0.00 0.00 179.45 179.40 1sy9 h MET 76 N 0.00 0.12 -0.16 3.15 2.86 -1.55 -2.67 114.93 116.68 1sy9 h MET 76 Ca -0.00 -0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.51 1sy9 h MET 76 Cb 0.77 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 1sy9 h MET 76 CO 0.05 0.08 -0.41 1.57 1.06 0.00 0.00 176.91 179.26 1sy9 h LYS 77 N 0.13 0.38 0.00 1.72 2.10 -1.72 -2.95 116.57 116.23 1sy9 h LYS 77 Ca 0.05 -0.18 0.00 0.00 -2.00 0.00 0.00 60.65 58.52 1sy9 h LYS 77 Cb 0.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 1sy9 h LYS 77 CO -0.04 0.73 0.00 0.22 -2.00 0.00 0.00 179.45 178.35 1sy9 h ASP 78 N 0.31 0.00 -2.46 7.07 1.82 -1.60 -3.45 116.42 118.11 1sy9 h ASP 78 Ca 0.03 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1sy9 h ASP 78 Cb 0.86 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.87 1sy9 h ASP 78 CO 0.07 0.00 0.00 1.07 -1.61 0.00 0.00 179.24 178.77 1sy9 n THR 79 N -3.08 0.00 -4.68 2.25 5.66 -1.02 -5.12 114.28 108.28 1sy9 n THR 79 Ca 0.01 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.77 1sy9 n THR 79 Cb 0.30 -0.09 -0.15 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 -0.42 1.76 0.44 1.09 1.01 -1.26 -4.95 116.67 114.34 1sy9 s ASP 80 Ca 0.00 -0.28 0.10 0.00 0.71 0.00 0.00 52.55 53.09 1sy9 s ASP 80 Cb 0.00 -0.33 0.98 0.00 1.01 0.00 0.00 42.92 44.58 1sy9 s ASP 80 CO 0.00 0.15 2.07 -1.28 0.21 0.00 0.00 175.17 176.32 1sy9 h SER 81 N 6.01 0.28 -0.38 0.27 0.87 -2.00 -1.70 113.55 116.90 1sy9 h SER 81 Ca -0.34 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1sy9 h SER 81 Cb 1.16 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 63.04 1sy9 h SER 81 CO 0.48 0.24 0.26 -0.33 -0.53 0.00 0.00 176.83 176.95 1sy9 h GLU 82 N 0.32 0.50 -0.38 2.24 5.08 -2.00 -1.88 114.58 118.47 1sy9 h GLU 82 Ca 0.08 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.25 1sy9 h GLU 82 Cb 0.03 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1sy9 h GLU 82 CO -0.01 0.33 -0.41 0.93 -1.00 0.00 0.00 179.01 178.86 1sy9 h GLU 83 N 0.52 0.94 -0.13 2.33 5.08 -1.73 -2.89 114.58 118.69 1sy9 h GLU 83 Ca 0.14 -0.51 -0.12 0.00 -1.00 0.00 0.00 59.36 57.88 1sy9 h GLU 83 Cb -0.06 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1sy9 h GLU 83 CO -0.03 1.16 -0.43 0.93 -1.00 0.00 0.00 179.01 179.64 1sy9 h GLU 84 N 0.76 0.31 -0.03 2.33 5.08 -1.38 -3.06 114.58 118.60 1sy9 h GLU 84 Ca 0.06 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1sy9 h GLU 84 Cb 1.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 1sy9 h GLU 84 CO 0.10 0.69 0.01 0.82 -1.00 0.00 0.00 179.01 179.63 1sy9 h ILE 85 N 0.26 1.20 -0.88 3.13 2.04 -1.30 -2.37 117.51 119.58 1sy9 h ILE 85 Ca 0.02 -0.58 0.05 0.00 1.00 0.00 0.00 64.86 65.35 1sy9 h ILE 85 Cb 0.87 1.54 -0.05 0.00 -0.74 0.00 0.00 36.82 38.43 1sy9 h ILE 85 CO 0.07 0.16 0.58 0.03 0.00 0.00 0.00 178.15 178.98 1sy9 h ARG 86 N -0.19 1.00 -0.30 2.37 3.08 -1.49 -2.27 114.38 116.58 1sy9 h ARG 86 Ca 0.01 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.87 1sy9 h ARG 86 Cb 0.25 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1sy9 h ARG 86 CO 0.00 0.66 -0.33 0.93 -1.07 0.00 0.00 179.97 180.17 1sy9 h GLU 87 N 1.03 0.75 -0.27 0.04 5.08 -1.44 -2.92 114.58 116.84 1sy9 h GLU 87 Ca 0.37 -0.40 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1sy9 h GLU 87 Cb 0.15 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1sy9 h GLU 87 CO -0.13 1.03 -0.00 0.00 -1.00 0.00 0.00 179.01 178.90 1sy9 h ALA 88 N 0.71 0.36 -0.40 3.43 0.00 -1.07 -2.40 119.26 119.88 1sy9 h ALA 88 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1sy9 h ALA 88 Cb 0.90 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1sy9 h ALA 88 CO 0.08 0.10 0.27 0.35 0.00 0.00 0.00 179.25 180.05 1sy9 h PHE 89 N 0.25 0.51 -0.40 0.00 3.04 -1.50 -2.17 116.94 116.67 1sy9 h PHE 89 Ca 0.07 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.04 1sy9 h PHE 89 Cb 0.43 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 38.75 1sy9 h PHE 89 CO 0.04 0.32 0.26 -0.09 -2.02 0.00 0.00 178.31 176.82 1sy9 h ARG 90 N 0.55 0.52 -0.09 1.11 2.43 -1.45 0.98 114.38 118.42 1sy9 h ARG 90 Ca 0.15 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 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 0.35 -0.07 0.28 -1.51 0.00 0.00 179.97 178.99 1sy9 h VAL 91 N 0.54 1.34 -0.36 0.20 2.07 -0.88 -3.26 116.25 115.90 1sy9 h VAL 91 Ca 0.15 -1.15 -0.16 0.00 0.82 0.00 0.00 66.70 66.35 1sy9 h VAL 91 Cb -0.06 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1sy9 h VAL 91 CO -0.03 0.32 -0.41 -0.26 0.02 0.00 0.00 177.57 177.21 1sy9 h PHE 92 N -0.18 1.11 -0.87 1.57 0.04 -1.10 -3.36 116.94 114.15 1sy9 h PHE 92 Ca 0.02 -0.34 -0.68 0.00 2.80 0.00 0.00 57.97 59.77 1sy9 h PHE 92 Cb 0.55 -0.23 -0.08 0.00 2.20 0.00 0.00 35.95 38.39 1sy9 h PHE 92 CO 0.08 1.17 2.20 0.34 -0.60 0.00 0.00 178.31 181.50 1sy9 s ASP 93 N -6.86 6.84 0.11 2.17 2.15 0.31 -4.77 116.67 116.61 1sy9 s ASP 93 Ca -0.11 -2.45 -0.14 0.00 0.43 0.00 0.00 52.55 50.28 1sy9 s ASP 93 Cb 0.11 -2.58 -0.08 0.00 -0.30 0.00 0.00 42.92 40.07 1sy9 s ASP 93 CO 0.88 -1.17 1.42 0.11 -0.17 0.00 0.00 175.17 176.25 1sy9 h LYS 94 N 7.58 0.75 0.00 4.34 1.57 -1.76 -3.07 116.57 125.96 1sy9 h LYS 94 Ca 0.45 -0.40 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1sy9 h LYS 94 Cb 0.87 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 1sy9 h LYS 94 CO 1.46 1.03 -0.22 0.38 -0.57 0.00 0.00 179.45 181.53 1sy9 h ASP 95 N 0.50 0.00 -1.08 0.86 2.03 -1.95 -3.46 116.42 113.32 1sy9 h ASP 95 Ca 0.04 0.00 -0.24 0.00 -0.73 0.00 0.00 57.03 56.10 1sy9 h ASP 95 Cb 0.90 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.34 1sy9 h ASP 95 CO 0.08 0.22 -0.26 0.61 -1.03 0.00 0.00 179.24 178.86 1sy9 n GLY 96 N 0.31 0.65 0.00 7.15 0.00 -1.16 -4.87 105.19 107.27 1sy9 n GLY 96 Ca 0.01 -0.44 0.08 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.07 0.00 0.00 1.61 6.94 -1.26 -4.85 115.26 117.63 1sy9 n ASN 97 Ca -0.13 0.47 0.00 0.00 -0.02 0.00 0.00 54.58 54.90 1sy9 n ASN 97 Cb 0.49 -0.49 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 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 0.10 1.00 3.01 4.83 0.00 -1.26 -5.03 105.19 107.84 1sy9 n GLY 98 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.25 0.80 -0.20 1.61 1.51 -1.26 -4.44 117.35 113.12 1sy9 s TYR 99 Ca 0.00 -0.16 -0.21 0.00 -1.01 0.00 0.00 57.07 55.70 1sy9 s TYR 99 Cb 0.00 -0.53 -0.03 0.00 -0.11 0.00 0.00 41.96 41.30 1sy9 s TYR 99 CO 0.00 -0.03 0.62 0.42 -1.11 0.00 0.00 175.55 175.46 1sy9 s ILE 100 N -0.14 5.02 0.68 2.71 1.01 -1.23 -4.95 121.20 124.30 1sy9 s ILE 100 Ca 0.02 1.17 -0.05 0.00 0.00 0.00 0.00 60.65 61.79 1sy9 s ILE 100 Cb -0.04 -3.94 0.06 0.00 0.01 0.00 0.00 42.46 38.55 1sy9 s ILE 100 CO -0.00 0.11 0.97 -0.44 0.00 0.00 0.00 174.94 175.58 1sy9 s SER 101 N 1.22 4.88 0.14 3.58 0.01 -1.26 -4.36 113.70 117.91 1sy9 s SER 101 Ca 0.28 0.35 -0.11 0.00 1.31 0.00 0.00 55.95 57.79 1sy9 s SER 101 Cb -0.16 -1.04 -0.04 0.00 0.21 0.00 0.00 66.02 64.99 1sy9 s SER 101 CO 0.10 -1.52 1.47 0.00 0.41 0.00 0.00 173.24 173.70 1sy9 h ALA 102 N -0.48 0.56 -0.75 1.44 0.00 -1.95 -2.97 119.26 115.12 1sy9 h ALA 102 Ca -0.44 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 53.96 1sy9 h ALA 102 Cb 1.31 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1sy9 h ALA 102 CO 0.58 0.68 0.29 0.00 0.00 0.00 0.00 179.25 180.80 1sy9 h ALA 103 N 0.77 1.09 -0.99 0.00 0.00 -2.00 -2.23 119.26 115.90 1sy9 h ALA 103 Ca 0.05 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1sy9 h ALA 103 Cb 1.01 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1sy9 h ALA 103 CO 0.10 0.64 0.65 0.93 0.00 0.00 0.00 179.25 181.56 1sy9 h GLU 104 N 1.09 1.31 -0.43 0.00 5.08 -1.88 -2.55 114.58 117.20 1sy9 h GLU 104 Ca 0.25 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.41 1sy9 h GLU 104 Cb 0.22 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1sy9 h GLU 104 CO -0.02 0.87 -0.19 -0.07 -1.00 0.00 0.00 179.01 178.61 1sy9 h LEU 105 N 1.34 0.91 -1.22 1.33 -0.00 -1.31 -3.15 115.31 113.21 1sy9 h LEU 105 Ca 0.36 -0.40 -0.01 0.00 -0.00 0.00 0.00 57.88 57.83 1sy9 h LEU 105 Cb -0.14 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 40.24 1sy9 h LEU 105 CO -0.08 1.10 0.37 -0.09 -0.00 0.00 0.00 178.44 179.75 1sy9 h ARG 106 N 0.71 0.90 -0.68 1.13 2.43 -1.03 -2.81 114.38 115.04 1sy9 h ARG 106 Ca 0.10 -0.09 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1sy9 h ARG 106 Cb 0.75 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 1sy9 h ARG 106 CO 0.06 0.66 0.45 1.25 -1.51 0.00 0.00 179.97 180.87 1sy9 h HIS 107 N 0.92 0.85 -0.04 2.20 2.76 -1.42 -2.51 115.15 117.90 1sy9 h HIS 107 Ca 0.24 0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 58.28 1sy9 h HIS 107 Cb 0.01 -0.29 0.01 0.00 1.55 0.00 0.00 27.41 28.69 1sy9 h HIS 107 CO 0.00 0.53 -0.54 0.28 -1.30 0.00 0.00 177.93 176.91 1sy9 h VAL 108 N 0.91 1.41 -0.39 5.26 2.07 -1.62 -2.19 116.25 121.71 1sy9 h VAL 108 Ca 0.25 -1.96 0.03 0.00 0.82 0.00 0.00 66.70 65.83 1sy9 h VAL 108 Cb -0.10 2.45 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 1sy9 h VAL 108 CO -0.05 0.58 0.20 0.24 0.02 0.00 0.00 177.57 178.55 1sy9 h MET 109 N -0.05 0.39 -0.48 1.57 2.07 -1.47 0.52 114.93 117.49 1sy9 h MET 109 Ca -0.06 -0.02 -0.11 0.00 -2.07 0.00 0.00 59.70 57.44 1sy9 h MET 109 Cb 1.22 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 30.85 1sy9 h MET 109 CO 0.11 0.26 -0.13 1.15 1.07 0.00 0.00 176.91 179.37 1sy9 h THR 110 N 0.40 1.27 -0.27 2.22 2.02 -1.55 -2.39 112.91 114.62 1sy9 h THR 110 Ca 0.16 -1.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.06 1sy9 h THR 110 Cb 0.06 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1sy9 h THR 110 CO -0.11 0.44 0.09 -1.13 0.37 0.00 0.00 175.52 175.18 1sy9 h ASN 111 N 0.77 0.33 -0.23 4.18 -0.73 -0.77 -1.92 115.58 117.22 1sy9 h ASN 111 Ca 0.12 -0.03 -0.13 0.00 1.87 0.00 0.00 56.30 58.13 1sy9 h ASN 111 Cb 0.68 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 39.17 1sy9 h ASN 111 CO 0.05 0.32 -0.30 -0.07 -0.37 0.00 0.00 177.43 177.06 1sy9 h LEU 112 N 0.38 0.76 0.00 0.34 3.38 0.51 -3.47 115.31 117.20 1sy9 h LEU 112 Ca 0.09 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1sy9 h LEU 112 Cb 0.10 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1sy9 h LEU 112 CO -0.01 1.01 0.00 0.61 0.09 0.00 0.00 178.44 180.14 1sy9 n GLY 113 N -0.13 1.17 3.10 0.83 0.00 -0.72 -4.97 105.19 104.48 1sy9 n GLY 113 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.00 1.08 -0.36 1.61 2.02 -0.96 -5.04 118.70 117.05 1sy9 s GLU 114 Ca 0.00 -0.50 -0.08 0.00 0.02 0.00 0.00 54.97 54.41 1sy9 s GLU 114 Cb 0.00 -1.05 0.04 0.00 0.10 0.00 0.00 34.13 33.22 1sy9 s GLU 114 CO 0.00 0.29 0.15 0.15 0.02 0.00 0.00 175.26 175.87 1sy9 s LYS 115 N -0.38 2.66 0.12 1.61 1.02 -1.26 -4.01 119.74 119.49 1sy9 s LYS 115 Ca 0.05 -1.20 0.05 0.00 0.02 0.00 0.00 55.97 54.88 1sy9 s LYS 115 Cb -0.05 -3.57 -0.04 0.00 -0.52 0.00 0.00 37.83 33.64 1sy9 s LYS 115 CO -0.00 -0.72 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.08 1sy9 s LEU 116 N 1.44 2.43 0.63 3.17 1.43 -1.26 -5.15 118.68 121.37 1sy9 s LEU 116 Ca -0.00 -0.86 -0.08 0.00 -1.03 0.00 0.00 54.13 52.16 1sy9 s LEU 116 Cb -0.20 -0.39 0.01 0.00 0.03 0.00 0.00 46.19 45.64 1sy9 s LEU 116 CO 0.04 -0.24 0.97 -0.89 0.23 0.00 0.00 176.35 176.46 1sy9 s THR 117 N -2.55 3.57 0.53 5.49 2.01 -1.26 -4.92 115.64 118.51 1sy9 s THR 117 Ca 0.09 0.17 0.25 0.00 0.31 0.00 0.00 61.69 62.51 1sy9 s THR 117 Cb -0.02 -3.46 0.31 0.00 0.01 0.00 0.00 72.50 69.34 1sy9 s THR 117 CO 0.01 -0.52 2.18 0.44 -0.69 0.00 0.00 174.62 176.04 1sy9 h ASP 118 N -0.35 0.00 0.13 3.53 3.32 -2.01 0.66 116.42 121.69 1sy9 h ASP 118 Ca -0.45 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.53 1sy9 h ASP 118 Cb 1.26 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 1sy9 h ASP 118 CO 0.62 0.04 -0.24 -0.33 -1.72 0.00 0.00 179.24 177.61 1sy9 h GLU 119 N 0.00 0.20 -0.52 3.56 5.08 -2.00 -1.99 114.58 118.91 1sy9 h GLU 119 Ca -0.00 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 1sy9 h GLU 119 Cb 0.09 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1sy9 h GLU 119 CO 0.00 0.44 0.06 1.49 -1.00 0.00 0.00 179.01 180.00 1sy9 h GLU 120 N 0.19 0.84 -0.32 2.33 4.81 -1.22 -2.47 114.58 118.74 1sy9 h GLU 120 Ca 0.03 -0.21 -0.17 0.00 -0.13 0.00 0.00 59.36 58.88 1sy9 h GLU 120 Cb 0.53 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 1sy9 h GLU 120 CO 0.04 0.81 -0.48 0.28 -0.73 0.00 0.00 179.01 178.92 1sy9 h VAL 121 N 0.80 1.27 -0.55 0.32 2.07 -1.31 -3.04 116.25 115.81 1sy9 h VAL 121 Ca 0.16 -1.66 0.01 0.00 0.82 0.00 0.00 66.70 66.03 1sy9 h VAL 121 Cb 0.39 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 1sy9 h VAL 121 CO 0.01 0.55 0.36 -0.78 0.02 0.00 0.00 177.57 177.73 1sy9 h ASP 122 N 0.70 0.62 -0.84 0.57 1.82 -1.10 -2.27 116.42 115.91 1sy9 h ASP 122 Ca 0.03 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1sy9 h ASP 122 Cb 1.08 -0.15 -0.04 0.00 0.68 0.00 0.00 39.33 40.90 1sy9 h ASP 122 CO 0.11 0.45 0.53 -0.08 -1.61 0.00 0.00 179.24 178.64 1sy9 h GLU 123 N 0.73 1.13 -0.88 0.28 4.81 -1.45 -1.58 114.58 117.63 1sy9 h GLU 123 Ca 0.20 -0.09 0.11 0.00 -0.13 0.00 0.00 59.36 59.45 1sy9 h GLU 123 Cb -0.08 -0.24 -0.06 0.00 0.63 0.00 0.00 28.75 28.99 1sy9 h GLU 123 CO -0.05 0.78 0.57 0.52 -0.73 0.00 0.00 179.01 180.10 1sy9 h MET 124 N 1.15 0.80 -0.69 1.92 2.86 -1.30 0.54 114.93 120.21 1sy9 h MET 124 Ca 0.31 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.82 1sy9 h MET 124 Cb -0.08 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.37 1sy9 h MET 124 CO -0.06 0.53 0.13 0.82 1.06 0.00 0.00 176.91 179.39 1sy9 h ILE 125 N 0.82 1.26 -1.01 -1.22 2.04 -1.05 -2.96 117.51 115.40 1sy9 h ILE 125 Ca 0.41 -1.02 0.04 0.00 1.00 0.00 0.00 64.86 65.29 1sy9 h ILE 125 Cb 0.48 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 37.09 1sy9 h ILE 125 CO -0.18 0.39 0.66 -0.09 0.00 0.00 0.00 178.15 178.93 1sy9 h ARG 126 N 1.06 1.24 -0.92 2.37 2.43 -0.43 0.47 114.38 120.60 1sy9 h ARG 126 Ca 0.21 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1sy9 h ARG 126 Cb 0.42 -0.28 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 1sy9 h ARG 126 CO 0.01 0.82 0.51 0.93 -1.51 0.00 0.00 179.97 180.73 1sy9 h GLU 127 N 1.27 1.27 -0.01 0.20 5.08 -1.29 -3.07 114.58 118.02 1sy9 h GLU 127 Ca 0.40 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1sy9 h GLU 127 Cb 0.00 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.00 1sy9 h GLU 127 CO -0.13 0.92 -0.43 0.00 -1.00 0.00 0.00 179.01 178.37 1sy9 n ALA 128 N -2.40 3.43 -2.32 3.43 0.00 -1.01 -4.70 120.51 116.93 1sy9 n ALA 128 Ca 0.10 -0.59 -0.42 0.00 0.00 0.00 0.00 53.44 52.53 1sy9 n ALA 128 Cb 0.09 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.15 5.08 -0.11 0.00 -0.08 0.16 -4.72 116.55 116.73 1sy9 n ASP 129 Ca 0.08 -3.11 -0.14 0.00 -1.51 0.00 0.00 54.79 50.11 1sy9 n ASP 129 Cb 0.40 -1.48 -0.03 0.00 2.34 0.00 0.00 41.12 42.35 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 3.73 1.27 -0.83 5.18 2.04 -1.84 -3.22 117.51 123.84 1sy9 h ILE 130 Ca 0.40 -1.57 -0.04 0.00 1.00 0.00 0.00 64.86 64.65 1sy9 h ILE 130 Cb 0.62 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 1sy9 h ILE 130 CO 1.63 0.52 0.36 -2.24 0.00 0.00 0.00 178.15 178.43 1sy9 h ASP 131 N 0.71 1.11 0.00 1.72 2.03 -1.95 -3.47 116.42 116.58 1sy9 h ASP 131 Ca 0.05 -0.16 0.00 0.00 -0.73 0.00 0.00 57.03 56.20 1sy9 h ASP 131 Cb 1.00 -0.29 0.00 0.00 -0.83 0.00 0.00 39.33 39.21 1sy9 h ASP 131 CO 0.10 0.96 0.00 0.61 -1.03 0.00 0.00 179.24 179.88 1sy9 n GLY 132 N -0.94 1.41 0.04 7.15 0.00 -1.22 -4.99 105.19 106.64 1sy9 n GLY 132 Ca 0.08 0.00 0.14 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 0.00 0.25 0.00 1.61 5.75 -1.26 -4.90 116.55 118.00 1sy9 n ASP 133 Ca 0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 54.79 54.70 1sy9 n ASP 133 Cb 0.00 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 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 1.40 1.18 3.00 6.12 0.00 -1.26 -5.01 105.19 110.62 1sy9 n GLY 134 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.35 0.38 -0.28 1.61 -0.21 -1.26 -5.01 119.66 114.54 1sy9 s GLN 135 Ca 0.00 -0.58 -0.18 0.00 0.02 0.00 0.00 55.36 54.62 1sy9 s GLN 135 Cb 0.00 -0.11 -0.02 0.00 1.00 0.00 0.00 33.01 33.88 1sy9 s GLN 135 CO 0.00 0.01 0.53 0.08 -2.12 0.00 0.00 175.29 173.79 1sy9 s VAL 136 N -1.18 5.04 0.34 1.09 1.01 -1.26 -4.79 120.40 120.65 1sy9 s VAL 136 Ca -0.11 0.77 -0.01 0.00 0.00 0.00 0.00 61.98 62.63 1sy9 s VAL 136 Cb -0.08 -3.88 0.07 0.00 0.00 0.00 0.00 36.38 32.49 1sy9 s VAL 136 CO -0.00 -0.01 0.47 -0.46 0.00 0.00 0.00 175.10 175.10 1sy9 n ASN 137 N 5.63 0.52 -0.11 3.32 0.23 -1.26 -3.57 115.26 120.01 1sy9 n ASN 137 Ca -0.04 -1.46 -0.13 0.00 -0.53 0.00 0.00 54.58 52.41 1sy9 n ASN 137 Cb 0.49 -0.31 -0.03 0.00 -2.08 0.00 0.00 39.78 37.86 1sy9 n ASN 137 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1sy9 h TYR 138 N -0.61 1.11 0.01 -2.53 5.03 -1.98 -2.61 116.97 115.40 1sy9 h TYR 138 Ca -0.15 -0.34 -0.00 0.00 2.58 0.00 0.00 58.73 60.81 1sy9 h TYR 138 Cb 0.54 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 38.59 1sy9 h TYR 138 CO 0.00 1.17 -0.01 0.93 -1.32 0.00 0.00 178.16 178.93 1sy9 h GLU 139 N 0.73 -0.01 -0.29 1.82 5.08 -1.97 -2.63 114.58 117.31 1sy9 h GLU 139 Ca 0.05 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 1sy9 h GLU 139 Cb 1.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 1sy9 h GLU 139 CO 0.10 0.01 -0.12 0.93 -1.00 0.00 0.00 179.01 178.93 1sy9 h GLU 140 N -0.03 0.49 -0.16 2.33 5.08 -1.87 -2.67 114.58 117.75 1sy9 h GLU 140 Ca -0.00 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1sy9 h GLU 140 Cb 0.03 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1sy9 h GLU 140 CO 0.00 0.61 0.02 0.35 -1.00 0.00 0.00 179.01 178.99 1sy9 h PHE 141 N 0.45 0.04 -0.34 4.33 3.04 -1.12 -2.59 116.94 120.75 1sy9 h PHE 141 Ca 0.08 0.01 -0.16 0.00 3.98 0.00 0.00 57.97 61.88 1sy9 h PHE 141 Cb 0.48 0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.99 1sy9 h PHE 141 CO 0.02 0.01 -0.42 0.28 -2.02 0.00 0.00 178.31 176.17 1sy9 h VAL 142 N 0.09 1.28 -0.18 1.41 2.07 -1.38 -3.19 116.25 116.34 1sy9 h VAL 142 Ca 0.07 -1.60 0.03 0.00 0.82 0.00 0.00 66.70 66.02 1sy9 h VAL 142 Cb 0.07 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1sy9 h VAL 142 CO -0.10 0.53 0.02 -0.61 0.02 0.00 0.00 177.57 177.42 1sy9 h GLN 143 N 0.69 0.08 -0.60 1.57 4.15 -1.29 0.11 115.11 119.83 1sy9 h GLN 143 Ca 0.05 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.49 1sy9 h GLN 143 Cb 1.00 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.64 1sy9 h GLN 143 CO 0.10 0.06 0.39 1.98 -1.93 0.00 0.00 178.83 179.43 1sy9 h MET 144 N 0.09 0.72 -0.13 1.69 4.05 -1.52 -0.87 114.93 118.95 1sy9 h MET 144 Ca 0.08 -0.04 -0.23 0.00 -0.28 0.00 0.00 59.70 59.23 1sy9 h MET 144 Cb 0.09 -0.16 0.01 0.00 -0.80 0.00 0.00 31.60 30.74 1sy9 h MET 144 CO -0.13 0.48 -0.82 0.52 0.23 0.00 0.00 176.91 177.19 1sy9 h MET 145 N 0.74 0.79 0.00 0.39 2.86 -1.38 -3.13 114.93 115.21 1sy9 h MET 145 Ca 0.23 -0.67 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 1sy9 h MET 145 Cb 0.01 0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1sy9 h MET 145 CO -0.06 1.27 0.00 1.15 1.06 0.00 0.00 176.91 180.34 1sy9 h THR 146 N 0.53 0.00 -3.37 2.22 2.02 -0.16 -3.42 112.91 110.73 1sy9 h THR 146 Ca -0.06 -0.49 -0.67 0.00 0.77 0.00 0.00 66.41 65.96 1sy9 h THR 146 Cb 1.45 1.48 -0.17 0.00 -1.74 0.00 0.00 68.15 69.18 1sy9 h THR 146 CO 0.17 0.00 -0.64 0.00 0.37 0.00 0.00 175.52 175.42 1sy9 s ALA 147 N -3.68 3.19 0.00 6.16 0.00 -0.39 -5.08 121.76 121.96 1sy9 s ALA 147 Ca 0.01 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1sy9 s ALA 147 Cb 0.09 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.72 1sy9 s ALA 147 CO 0.54 0.48 0.35 1.63 0.00 0.00 0.00 175.76 178.76