#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sy9 h ASP 2 N 0.00 1.15 -3.97 0.00 3.32 -2.08 -3.42 116.42 111.42 1sy9 h ASP 2 Ca 0.00 -0.04 -0.69 0.00 0.02 0.00 0.00 57.03 56.33 1sy9 h ASP 2 Cb 0.00 -0.29 -0.22 0.00 0.22 0.00 0.00 39.33 39.04 1sy9 h ASP 2 CO 0.00 0.84 -0.83 -1.10 -1.72 0.00 0.00 179.24 176.43 1sy9 s GLN 3 N -6.10 1.87 0.15 3.56 -1.52 -1.26 -5.04 119.66 111.32 1sy9 s GLN 3 Ca -0.13 -1.10 -0.17 0.00 -1.95 0.00 0.00 55.36 52.01 1sy9 s GLN 3 Cb 0.18 -2.09 -0.01 0.00 -0.22 0.00 0.00 33.01 30.87 1sy9 s GLN 3 CO 0.82 0.51 1.80 -0.07 -0.25 0.00 0.00 175.29 178.10 1sy9 h LEU 4 N 4.32 0.41 -6.73 2.90 3.38 -2.10 -3.40 115.31 114.08 1sy9 h LEU 4 Ca -0.48 -0.01 -0.36 0.00 0.09 0.00 0.00 57.88 57.11 1sy9 h LEU 4 Cb 1.16 -0.10 -0.36 0.00 0.09 0.00 0.00 40.66 41.44 1sy9 h LEU 4 CO 0.45 0.30 -0.66 0.42 0.09 0.00 0.00 178.44 179.04 1sy9 s THR 5 N -6.15 -0.29 -0.61 0.22 -4.23 -1.26 -4.95 115.64 98.37 1sy9 s THR 5 Ca -0.13 -0.30 0.24 0.00 -1.18 0.00 0.00 61.69 60.32 1sy9 s THR 5 Cb 0.10 -0.79 0.11 0.00 1.34 0.00 0.00 72.50 73.26 1sy9 s THR 5 CO 0.72 -0.35 1.41 -0.33 -0.54 0.00 0.00 174.62 175.52 1sy9 h GLU 6 N 8.32 0.00 -0.72 3.99 5.08 -2.02 -3.34 114.58 125.89 1sy9 h GLU 6 Ca -0.16 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1sy9 h GLU 6 Cb 1.11 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 1sy9 h GLU 6 CO 0.32 0.00 0.36 0.93 -1.00 0.00 0.00 179.01 179.62 1sy9 h GLU 7 N 0.00 1.01 0.00 2.33 5.08 -1.98 -1.56 114.58 119.46 1sy9 h GLU 7 Ca 0.00 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1sy9 h GLU 7 Cb 0.78 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1sy9 h GLU 7 CO 0.00 0.76 -0.00 1.96 -1.00 0.00 0.00 179.01 180.73 1sy9 h GLN 8 N 1.01 0.00 -0.58 2.33 4.20 -2.02 -3.14 115.11 116.92 1sy9 h GLN 8 Ca 0.25 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.93 1sy9 h GLN 8 Cb 0.07 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 1sy9 h GLN 8 CO -0.04 0.00 0.24 0.82 -0.67 0.00 0.00 178.83 179.19 1sy9 h ILE 9 N 0.00 1.22 -0.10 2.54 1.08 -1.47 -2.54 117.51 118.24 1sy9 h ILE 9 Ca -0.00 -0.67 -0.03 0.00 -0.39 0.00 0.00 64.86 63.77 1sy9 h ILE 9 Cb 0.50 0.59 -0.01 0.00 -3.07 0.00 0.00 36.82 34.83 1sy9 h ILE 9 CO 0.00 0.26 -0.08 0.00 -0.69 0.00 0.00 178.15 177.64 1sy9 h ALA 10 N 1.09 1.68 -0.85 1.87 0.00 -1.63 -2.28 119.26 119.14 1sy9 h ALA 10 Ca 0.19 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1sy9 h ALA 10 Cb 0.18 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1sy9 h ALA 10 CO -0.02 0.24 0.39 0.93 0.00 0.00 0.00 179.25 180.79 1sy9 h GLU 11 N 0.14 1.23 0.00 0.00 5.08 -1.58 -1.94 114.58 117.52 1sy9 h GLU 11 Ca 0.03 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 1sy9 h GLU 11 Cb 0.25 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1sy9 h GLU 11 CO 0.01 0.95 -0.08 0.74 -1.00 0.00 0.00 179.01 179.63 1sy9 h PHE 12 N 1.21 0.00 -0.44 4.33 0.04 -1.33 -2.70 116.94 118.05 1sy9 h PHE 12 Ca 0.29 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.91 1sy9 h PHE 12 Cb 0.14 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 1sy9 h PHE 12 CO 0.02 0.08 -0.29 0.87 -0.60 0.00 0.00 178.31 178.39 1sy9 h LYS 13 N 0.00 0.98 0.00 1.51 1.79 -1.31 -2.32 116.57 117.22 1sy9 h LYS 13 Ca -0.00 -0.46 -0.07 0.00 -2.18 0.00 0.00 60.65 57.93 1sy9 h LYS 13 Cb 0.28 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 1sy9 h LYS 13 CO 0.01 1.13 -0.35 0.93 -1.08 0.00 0.00 179.45 180.09 1sy9 h GLU 14 N 0.82 0.00 0.19 3.15 5.08 -1.51 -3.29 114.58 119.02 1sy9 h GLU 14 Ca 0.09 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.14 1sy9 h GLU 14 Cb 0.88 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.16 1sy9 h GLU 14 CO 0.08 0.35 -1.36 0.00 -1.00 0.00 0.00 179.01 177.08 1sy9 h ALA 15 N 1.65 -0.05 -1.01 3.43 0.00 -1.40 -3.34 119.26 118.54 1sy9 h ALA 15 Ca -0.00 -0.85 0.08 0.00 0.00 0.00 0.00 54.91 54.13 1sy9 h ALA 15 Cb 1.16 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 1sy9 h ALA 15 CO 0.05 0.78 0.65 0.35 0.00 0.00 0.00 179.25 181.07 1sy9 h PHE 16 N 0.15 1.20 -0.93 0.00 3.57 -1.49 -1.62 116.94 117.83 1sy9 h PHE 16 Ca -0.21 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.33 1sy9 h PHE 16 Cb 2.06 -0.39 -0.05 0.00 2.79 0.00 0.00 35.95 40.36 1sy9 h PHE 16 CO 0.11 0.59 0.60 0.66 -2.23 0.00 0.00 178.31 178.04 1sy9 h SER 17 N 1.15 1.08 -0.56 0.41 4.64 -1.68 0.22 113.55 118.80 1sy9 h SER 17 Ca 0.45 -0.04 0.01 0.00 -0.47 0.00 0.00 61.79 61.73 1sy9 h SER 17 Cb 0.23 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.02 1sy9 h SER 17 CO -0.19 0.80 0.37 0.25 -0.87 0.00 0.00 176.83 177.19 1sy9 h LEU 18 N 1.26 0.64 -0.44 5.97 6.46 -1.44 -2.41 115.31 125.36 1sy9 h LEU 18 Ca 0.34 -0.02 -0.16 0.00 -0.12 0.00 0.00 57.88 57.92 1sy9 h LEU 18 Cb -0.12 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 39.64 1sy9 h LEU 18 CO -0.07 0.46 -0.42 -0.26 -0.62 0.00 0.00 178.44 177.53 1sy9 h PHE 19 N 0.76 1.02 -3.05 1.25 0.04 -1.14 -3.37 116.94 112.44 1sy9 h PHE 19 Ca 0.21 -0.31 -0.73 0.00 2.80 0.00 0.00 57.97 59.93 1sy9 h PHE 19 Cb -0.09 -0.21 -0.21 0.00 2.20 0.00 0.00 35.95 37.64 1sy9 h PHE 19 CO -0.04 1.11 0.38 0.34 -0.60 0.00 0.00 178.31 179.51 1sy9 s ASP 20 N -6.86 6.56 0.63 2.17 -1.08 0.72 -4.77 116.67 114.04 1sy9 s ASP 20 Ca -0.10 -2.13 0.37 0.00 -0.52 0.00 0.00 52.55 50.17 1sy9 s ASP 20 Cb 0.11 -2.31 2.08 0.00 -1.46 0.00 0.00 42.92 41.34 1sy9 s ASP 20 CO 0.87 -0.90 2.27 0.11 0.52 0.00 0.00 175.17 178.04 1sy9 h LYS 21 N 8.54 0.00 0.00 4.34 1.79 -1.73 -2.94 116.57 126.57 1sy9 h LYS 21 Ca 0.02 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 1sy9 h LYS 21 Cb 1.05 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.69 1sy9 h LYS 21 CO 0.98 0.00 -0.10 -0.44 -1.08 0.00 0.00 179.45 178.80 1sy9 h ASP 22 N 0.00 0.00 0.00 0.86 3.32 -1.90 -3.49 116.42 115.22 1sy9 h ASP 22 Ca 0.01 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 56.67 1sy9 h ASP 22 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1sy9 h ASP 22 CO -0.00 0.75 0.00 0.61 -1.72 0.00 0.00 179.24 178.88 1sy9 n GLY 23 N 1.69 1.84 0.42 2.75 0.00 -1.11 -4.98 105.19 105.79 1sy9 n GLY 23 Ca -0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 1.38 0.00 1.61 5.75 -1.26 -4.91 116.55 119.12 1sy9 n ASP 24 Ca 0.00 -1.35 0.00 0.00 -0.01 0.00 0.00 54.79 53.43 1sy9 n ASP 24 Cb 0.00 0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 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 1.22 0.63 3.07 6.12 0.00 -1.26 -5.06 105.19 109.91 1sy9 n GLY 25 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.49 0.03 -0.17 2.61 -4.23 -1.26 -4.20 115.64 105.92 1sy9 s THR 26 Ca 0.00 -0.21 -0.05 0.00 -1.18 0.00 0.00 61.69 60.25 1sy9 s THR 26 Cb 0.00 -0.31 -0.03 0.00 1.34 0.00 0.00 72.50 73.50 1sy9 s THR 26 CO 0.00 -0.11 0.01 -0.63 -0.54 0.00 0.00 174.62 173.35 1sy9 s ILE 27 N -0.35 4.34 -0.03 2.99 1.01 -1.22 -4.89 121.20 123.05 1sy9 s ILE 27 Ca -0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 60.65 60.40 1sy9 s ILE 27 Cb -0.03 -2.93 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 1sy9 s ILE 27 CO 0.01 0.48 0.06 -0.89 0.00 0.00 0.00 174.94 174.60 1sy9 s THR 28 N 0.34 4.65 0.44 2.92 2.01 -1.26 -3.92 115.64 120.82 1sy9 s THR 28 Ca -0.01 -0.35 0.31 0.00 0.31 0.00 0.00 61.69 61.95 1sy9 s THR 28 Cb -0.13 -3.08 0.50 0.00 0.01 0.00 0.00 72.50 69.79 1sy9 s THR 28 CO 0.02 0.42 1.62 0.71 -0.69 0.00 0.00 174.62 176.70 1sy9 h THR 29 N 3.49 0.11 -0.14 -0.82 1.35 -1.90 0.51 112.91 115.51 1sy9 h THR 29 Ca -0.50 -0.03 -0.01 0.00 -0.55 0.00 0.00 66.41 65.32 1sy9 h THR 29 Cb 1.19 0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 67.63 1sy9 h THR 29 CO 0.60 0.01 0.05 0.11 -0.25 0.00 0.00 175.52 176.04 1sy9 h LYS 30 N 0.08 0.22 0.06 4.72 1.57 -1.96 -2.15 116.57 119.09 1sy9 h LYS 30 Ca 0.83 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.57 1sy9 h LYS 30 Cb 2.63 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 34.90 1sy9 h LYS 30 CO -0.40 0.34 -0.07 0.93 -0.57 0.00 0.00 179.45 179.68 1sy9 h GLU 31 N 0.05 -0.14 -0.49 3.15 5.08 -0.37 -2.54 114.58 119.31 1sy9 h GLU 31 Ca 0.05 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1sy9 h GLU 31 Cb 0.21 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1sy9 h GLU 31 CO -0.00 -0.09 0.33 1.25 -1.00 0.00 0.00 179.01 179.49 1sy9 h LEU 32 N -0.15 0.56 -1.72 1.33 5.85 -1.43 -2.48 115.31 117.27 1sy9 h LEU 32 Ca 0.01 -0.01 0.31 0.00 0.84 0.00 0.00 57.88 59.02 1sy9 h LEU 32 Cb 0.15 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 40.97 1sy9 h LEU 32 CO -0.03 0.41 0.76 1.23 -0.34 0.00 0.00 178.44 180.47 1sy9 h GLY 33 N 0.66 0.53 1.14 3.75 0.00 -0.93 0.23 103.07 108.44 1sy9 h GLY 33 Ca 0.18 -0.09 -0.17 0.00 0.00 0.00 0.00 47.33 47.26 1sy9 h GLY 33 CO -0.04 -0.07 -0.42 -0.84 0.00 0.00 0.00 176.54 175.18 1sy9 h THR 34 N 0.16 1.27 0.45 4.70 2.02 -1.52 -2.15 112.91 117.84 1sy9 h THR 34 Ca 0.57 -1.59 -0.02 0.00 0.77 0.00 0.00 66.41 66.14 1sy9 h THR 34 Cb 1.93 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 69.76 1sy9 h THR 34 CO -0.14 0.53 -0.22 0.58 0.37 0.00 0.00 175.52 176.65 1sy9 h VAL 35 N 0.76 0.25 -0.74 3.16 2.07 -0.70 -2.44 116.25 118.61 1sy9 h VAL 35 Ca 0.05 -0.57 0.01 0.00 0.82 0.00 0.00 66.70 67.02 1sy9 h VAL 35 Cb 1.02 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 1sy9 h VAL 35 CO 0.10 0.05 0.49 0.24 0.02 0.00 0.00 177.57 178.47 1sy9 h MET 36 N -1.07 0.96 0.00 1.57 2.86 -1.54 -0.53 114.93 117.19 1sy9 h MET 36 Ca -0.06 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1sy9 h MET 36 Cb 0.55 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1sy9 h MET 36 CO 0.10 0.64 -0.00 -0.09 1.06 0.00 0.00 176.91 178.62 1sy9 h ARG 37 N 0.99 -0.00 0.00 1.72 9.65 -0.42 0.10 114.38 126.41 1sy9 h ARG 37 Ca 0.27 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.15 1sy9 h ARG 37 Cb -0.10 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.48 1sy9 h ARG 37 CO -0.06 -0.00 0.00 0.66 2.80 0.00 0.00 179.97 183.37 1sy9 h SER 38 N -0.01 0.00 0.74 -3.80 4.64 -1.01 -3.06 113.55 111.05 1sy9 h SER 38 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sy9 h SER 38 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1sy9 h SER 38 CO 0.00 0.00 -1.07 0.18 -0.87 0.00 0.00 176.83 175.07 1sy9 n LEU 39 N -2.80 0.68 0.00 5.97 4.77 -0.24 -4.93 117.00 120.44 1sy9 n LEU 39 Ca 0.02 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1sy9 n LEU 39 Cb 0.31 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1sy9 n LEU 39 CO 0.26 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 1sy9 n GLY 40 N 1.25 1.01 3.44 -0.72 0.00 -0.27 -5.05 105.19 104.86 1sy9 n GLY 40 Ca 0.00 -0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 1sy9 n GLY 40 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sy9 s GLN 41 N 0.00 1.23 -0.33 1.61 0.74 0.19 -4.95 119.66 118.15 1sy9 s GLN 41 Ca 0.00 -0.32 0.02 0.00 0.05 0.00 0.00 55.36 55.10 1sy9 s GLN 41 Cb 0.00 0.57 0.09 0.00 1.10 0.00 0.00 33.01 34.77 1sy9 s GLN 41 CO 0.00 -0.51 0.03 1.21 -0.55 0.00 0.00 175.29 175.47 1sy9 s ASN 42 N -2.43 4.80 0.00 6.67 2.47 -1.26 -1.13 114.94 124.06 1sy9 s ASN 42 Ca -0.01 -1.84 0.00 0.00 0.42 0.00 0.00 52.86 51.43 1sy9 s ASN 42 Cb -0.01 -1.66 0.00 0.00 -1.45 0.00 0.00 41.25 38.13 1sy9 s ASN 42 CO -0.08 -0.35 0.00 -0.81 -3.72 0.00 0.00 177.10 172.14 1sy9 n PRO 43 N 4.41 2.35 -4.08 0.43 -0.04 -1.26 -5.00 135.00 131.81 1sy9 n PRO 43 Ca -0.04 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.30 1sy9 n PRO 43 Cb 0.42 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.77 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 0.56 0.61 0.52 -4.23 -1.26 -5.00 115.64 106.84 1sy9 s THR 44 Ca 0.00 -1.20 0.29 0.00 -1.18 0.00 0.00 61.69 59.59 1sy9 s THR 44 Cb 0.00 -0.76 0.36 0.00 1.34 0.00 0.00 72.50 73.43 1sy9 s THR 44 CO 0.00 -0.45 1.89 -0.33 -0.54 0.00 0.00 174.62 175.18 1sy9 h GLU 45 N 4.27 0.00 0.36 3.99 5.08 -1.97 0.70 114.58 127.02 1sy9 h GLU 45 Ca -0.36 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 30.45 1sy9 h GLU 45 CO 0.44 0.00 -0.17 0.00 -1.00 0.00 0.00 179.01 178.28 1sy9 h ALA 46 N 1.41 -0.48 -0.60 3.43 0.00 -2.00 -2.63 119.26 118.39 1sy9 h ALA 46 Ca 0.16 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1sy9 h ALA 46 Cb 1.08 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1sy9 h ALA 46 CO -0.00 -0.47 0.05 1.49 0.00 0.00 0.00 179.25 180.32 1sy9 h GLU 47 N -1.09 1.01 -0.65 0.00 4.81 -1.68 -2.50 114.58 114.49 1sy9 h GLU 47 Ca -0.05 -0.28 0.05 0.00 -0.13 0.00 0.00 59.36 58.95 1sy9 h GLU 47 Cb 0.43 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 1sy9 h GLU 47 CO 0.08 0.96 0.43 -0.07 -0.73 0.00 0.00 179.01 179.68 1sy9 h LEU 48 N 0.94 0.60 -0.49 1.64 3.38 0.28 -2.15 115.31 119.51 1sy9 h LEU 48 Ca 0.18 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 1sy9 h LEU 48 Cb 0.48 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1sy9 h LEU 48 CO 0.02 0.40 -0.20 -0.61 0.09 0.00 0.00 178.44 178.13 1sy9 h GLN 49 N 0.69 1.01 -0.42 1.13 4.15 -1.05 -2.98 115.11 117.64 1sy9 h GLN 49 Ca 0.27 -0.43 -0.07 0.00 0.77 0.00 0.00 58.65 59.19 1sy9 h GLN 49 Cb 0.21 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 1sy9 h GLN 49 CO -0.08 1.11 -0.03 0.22 -1.93 0.00 0.00 178.83 178.11 1sy9 h ASP 50 N 0.87 0.67 -0.44 -0.69 3.58 -1.25 -2.04 116.42 117.11 1sy9 h ASP 50 Ca 0.11 -0.16 0.01 0.00 0.42 0.00 0.00 57.03 57.41 1sy9 h ASP 50 Cb 0.79 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 1sy9 h ASP 50 CO 0.07 0.76 0.29 0.24 -2.88 0.00 0.00 179.24 177.72 1sy9 h MET 51 N 0.65 0.58 -0.16 0.28 2.86 -1.34 -2.16 114.93 115.64 1sy9 h MET 51 Ca 0.13 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.64 1sy9 h MET 51 Cb 0.46 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 1sy9 h MET 51 CO 0.02 0.38 -0.32 0.82 1.06 0.00 0.00 176.91 178.88 1sy9 h ILE 52 N 0.60 1.28 -1.01 -1.22 2.04 -1.36 -3.02 117.51 114.81 1sy9 h ILE 52 Ca 0.16 -1.33 0.01 0.00 1.00 0.00 0.00 64.86 64.71 1sy9 h ILE 52 Cb -0.06 1.51 -0.05 0.00 -0.74 0.00 0.00 36.82 37.47 1sy9 h ILE 52 CO -0.04 0.41 0.67 -1.13 0.00 0.00 0.00 178.15 178.06 1sy9 h ASN 53 N 0.27 1.16 0.39 1.72 -1.24 -0.72 0.85 115.58 118.01 1sy9 h ASN 53 Ca 0.04 -0.03 -0.06 0.00 0.71 0.00 0.00 56.30 56.95 1sy9 h ASN 53 Cb 0.70 -0.29 -0.01 0.00 0.73 0.00 0.00 38.32 39.46 1sy9 h ASN 53 CO 0.05 0.83 -0.30 -0.08 -1.29 0.00 0.00 177.43 176.65 1sy9 h GLU 54 N 1.36 0.00 -0.01 6.67 4.81 -1.36 -2.84 114.58 123.21 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 0.30 -0.65 0.28 -0.73 0.00 0.00 179.01 178.13 1sy9 n VAL 55 N -3.98 0.00 -1.97 0.32 0.31 -0.71 -4.90 118.33 107.39 1sy9 n VAL 55 Ca -0.02 -0.18 -0.41 0.00 -0.01 0.00 0.00 64.34 63.73 1sy9 n VAL 55 Cb 0.36 1.13 -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 -2.52 5.54 0.15 4.52 1.01 0.29 -4.84 116.67 120.83 1sy9 s ASP 56 Ca 0.12 0.95 -0.10 0.00 0.71 0.00 0.00 52.55 54.24 1sy9 s ASP 56 Cb 0.15 -2.52 -0.01 0.00 1.01 0.00 0.00 42.92 41.55 1sy9 s ASP 56 CO 0.64 -2.05 1.50 0.00 0.21 0.00 0.00 175.17 175.46 1sy9 h ALA 57 N 14.23 0.62 0.00 5.23 0.00 -1.88 -3.23 119.26 134.22 1sy9 h ALA 57 Ca -0.30 -0.45 -0.22 0.00 0.00 0.00 0.00 54.91 53.94 1sy9 h ALA 57 Cb 1.18 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1sy9 h ALA 57 CO 1.11 0.68 -1.55 -0.40 0.00 0.00 0.00 179.25 179.08 1sy9 n ASP 58 N -4.06 0.86 0.00 0.00 5.75 -1.26 -4.98 116.55 112.86 1sy9 n ASP 58 Ca -0.02 0.39 0.00 0.00 -0.01 0.00 0.00 54.79 55.16 1sy9 n ASP 58 Cb 0.53 0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 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 1.47 0.68 0.16 6.12 0.00 -1.22 -4.97 105.19 107.43 1sy9 n GLY 59 Ca -0.13 -0.65 -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 0.40 0.00 1.61 -1.07 -1.93 -3.47 115.58 111.11 1sy9 h ASN 60 Ca 0.00 -0.28 0.00 0.00 0.07 0.00 0.00 56.30 56.09 1sy9 h ASN 60 Cb 0.10 -0.12 0.00 0.00 -2.07 0.00 0.00 38.32 36.23 1sy9 h ASN 60 CO 0.00 1.03 0.00 0.61 0.07 0.00 0.00 177.43 179.14 1sy9 n GLY 61 N 0.66 0.46 3.17 9.14 0.00 -1.26 -5.13 105.19 112.23 1sy9 n GLY 61 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.42 0.25 -0.26 2.61 -4.23 -1.26 -4.89 115.64 106.44 1sy9 s THR 62 Ca 0.00 -1.92 -0.10 0.00 -1.18 0.00 0.00 61.69 58.49 1sy9 s THR 62 Cb 0.00 -2.04 -0.05 0.00 1.34 0.00 0.00 72.50 71.76 1sy9 s THR 62 CO 0.00 -0.50 0.16 -0.63 -0.54 0.00 0.00 174.62 173.11 1sy9 s ILE 63 N -3.94 5.19 0.52 2.99 1.01 -1.25 -4.79 121.20 120.93 1sy9 s ILE 63 Ca 0.23 0.13 0.04 0.00 0.00 0.00 0.00 60.65 61.05 1sy9 s ILE 63 Cb 0.07 -3.45 0.04 0.00 0.01 0.00 0.00 42.46 39.13 1sy9 s ILE 63 CO 0.02 0.30 0.72 -1.81 0.00 0.00 0.00 174.94 174.17 1sy9 s ASP 64 N 1.45 5.31 0.20 3.58 1.01 -1.26 -3.38 116.67 123.58 1sy9 s ASP 64 Ca 0.07 -0.26 -0.14 0.00 0.71 0.00 0.00 52.55 52.93 1sy9 s ASP 64 Cb -0.15 -0.62 0.20 0.00 1.01 0.00 0.00 42.92 43.36 1sy9 s ASP 64 CO 0.08 -1.09 1.64 0.15 0.21 0.00 0.00 175.17 176.15 1sy9 h PHE 65 N 0.23 -0.30 -0.23 4.23 3.57 -1.99 0.59 116.94 123.03 1sy9 h PHE 65 Ca -0.40 0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.07 1sy9 h PHE 65 Cb 1.29 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 40.23 1sy9 h PHE 65 CO 0.34 -0.24 -0.21 -1.00 -2.23 0.00 0.00 178.31 174.96 1sy9 h PRO 66 N 0.00 0.42 -0.35 6.41 0.13 -1.97 -2.48 132.00 134.18 1sy9 h PRO 66 Ca 0.28 -0.14 -0.17 0.00 -0.87 0.00 0.00 66.00 65.09 1sy9 h PRO 66 Cb 0.42 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.51 1sy9 h PRO 66 CO -0.59 0.61 -0.46 0.93 -0.23 0.00 0.00 178.00 178.27 1sy9 h GLU 67 N 0.38 0.92 -0.75 0.86 5.08 -1.55 -2.96 114.58 116.56 1sy9 h GLU 67 Ca 0.06 -0.53 -0.06 0.00 -1.00 0.00 0.00 59.36 57.83 1sy9 h GLU 67 Cb 0.58 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1sy9 h GLU 67 CO 0.04 1.18 0.24 0.35 -1.00 0.00 0.00 179.01 179.81 1sy9 h PHE 68 N 0.73 1.21 -0.58 4.33 3.57 -0.76 -3.08 116.94 122.36 1sy9 h PHE 68 Ca 0.04 -0.12 -0.11 0.00 3.53 0.00 0.00 57.97 61.31 1sy9 h PHE 68 Cb 1.06 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 1sy9 h PHE 68 CO 0.07 0.95 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.98 1sy9 h LEU 69 N 1.12 1.05 -0.99 0.59 4.07 -1.42 -2.88 115.31 116.87 1sy9 h LEU 69 Ca 0.24 -0.32 0.01 0.00 0.08 0.00 0.00 57.88 57.89 1sy9 h LEU 69 Cb 0.31 -0.28 -0.05 0.00 1.08 0.00 0.00 40.66 41.72 1sy9 h LEU 69 CO -0.01 1.12 0.64 0.71 -1.08 0.00 0.00 178.44 179.82 1sy9 h THR 70 N 0.95 1.26 0.30 0.22 1.35 -1.43 -2.35 112.91 113.21 1sy9 h THR 70 Ca 0.16 -0.49 -0.01 0.00 -0.55 0.00 0.00 66.41 65.51 1sy9 h THR 70 Cb 0.62 -0.18 0.00 0.00 -1.73 0.00 0.00 68.15 66.86 1sy9 h THR 70 CO 0.04 0.25 -0.14 -0.03 -0.25 0.00 0.00 175.52 175.39 1sy9 h MET 71 N 1.34 -0.38 0.22 4.72 1.85 -1.49 -2.54 114.93 118.65 1sy9 h MET 71 Ca 0.36 0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 59.46 1sy9 h MET 71 Cb -0.13 0.09 0.00 0.00 0.43 0.00 0.00 31.60 31.99 1sy9 h MET 71 CO -0.07 -0.07 -0.11 1.98 -0.40 0.00 0.00 176.91 178.24 1sy9 h MET 72 N -0.73 -0.29 -0.48 0.39 -1.53 -1.46 -2.36 114.93 108.47 1sy9 h MET 72 Ca -0.04 0.02 -0.10 0.00 -3.44 0.00 0.00 59.70 56.14 1sy9 h MET 72 Cb 0.49 0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 31.59 1sy9 h MET 72 CO 0.07 -0.12 -0.11 0.00 0.14 0.00 0.00 176.91 176.88 1sy9 h ALA 73 N 0.38 0.91 -0.16 0.39 0.00 -1.55 -2.61 119.26 116.62 1sy9 h ALA 73 Ca -0.03 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 1sy9 h ALA 73 Cb 0.29 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1sy9 h ALA 73 CO 0.05 0.63 -0.33 -0.09 0.00 0.00 0.00 179.25 179.51 1sy9 h ARG 74 N 0.78 0.51 -0.24 0.00 9.65 -1.47 -3.33 114.38 120.28 1sy9 h ARG 74 Ca 0.13 -0.33 -0.18 0.00 -1.10 0.00 0.00 59.98 58.50 1sy9 h ARG 74 Cb 0.63 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.25 1sy9 h ARG 74 CO 0.04 0.94 -0.55 -0.22 2.80 0.00 0.00 179.97 182.98 1sy9 h LYS 75 N 0.15 0.79 -0.01 0.20 1.63 -1.46 -3.16 116.57 114.72 1sy9 h LYS 75 Ca 0.01 -0.54 0.00 0.00 -0.85 0.00 0.00 60.65 59.27 1sy9 h LYS 75 Cb 0.92 0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 32.63 1sy9 h LYS 75 CO 0.07 1.16 0.15 0.00 -3.45 0.00 0.00 179.45 177.38 1sy9 h MET 76 N 0.54 0.00 0.29 1.90 -0.00 -1.58 -2.39 114.93 113.70 1sy9 h MET 76 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.68 1sy9 h MET 76 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.77 1sy9 h MET 76 CO 0.12 0.00 -0.14 0.87 -0.00 0.00 0.00 176.91 177.76 1sy9 h LYS 77 N 0.00 -0.38 0.00 -0.10 1.79 -1.65 -3.07 116.57 113.16 1sy9 h LYS 77 Ca 0.00 0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.46 1sy9 h LYS 77 Cb 0.30 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 1sy9 h LYS 77 CO -0.00 -0.06 -0.17 0.22 -1.08 0.00 0.00 179.45 178.36 1sy9 h ASP 78 N -0.72 0.00 -2.91 0.86 1.82 -1.62 -3.44 116.42 110.40 1sy9 h ASP 78 Ca -0.04 0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.46 1sy9 h ASP 78 Cb 0.49 0.00 0.05 0.00 0.68 0.00 0.00 39.33 40.55 1sy9 h ASP 78 CO 0.07 0.17 0.11 0.41 -1.61 0.00 0.00 179.24 178.38 1sy9 n THR 79 N -3.38 0.00 -4.71 2.25 -1.04 -0.94 -5.10 114.28 101.37 1sy9 n THR 79 Ca -0.00 -0.35 -0.23 0.00 -2.04 0.00 0.00 64.05 61.43 1sy9 n THR 79 Cb 0.37 -1.70 -0.15 0.00 -1.82 0.00 0.00 70.33 67.03 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 -2.46 1.82 0.43 8.00 1.01 -1.26 -4.96 116.67 119.25 1sy9 s ASP 80 Ca 0.23 -0.29 0.23 0.00 0.71 0.00 0.00 52.55 53.42 1sy9 s ASP 80 Cb -0.01 -0.20 0.95 0.00 1.01 0.00 0.00 42.92 44.68 1sy9 s ASP 80 CO 0.16 0.18 1.85 -1.28 0.21 0.00 0.00 175.17 176.29 1sy9 h SER 81 N 5.70 0.00 -0.71 0.27 0.87 -1.97 -2.76 113.55 114.95 1sy9 h SER 81 Ca -0.36 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.21 1sy9 h SER 81 Cb 1.16 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.08 1sy9 h SER 81 CO 0.48 0.26 0.47 -0.33 -0.53 0.00 0.00 176.83 177.18 1sy9 h GLU 82 N 0.00 0.94 -0.53 2.24 5.08 -2.00 -1.61 114.58 118.69 1sy9 h GLU 82 Ca -0.00 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.18 1sy9 h GLU 82 Cb 0.70 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1sy9 h GLU 82 CO 0.03 0.62 -0.14 0.93 -1.00 0.00 0.00 179.01 179.46 1sy9 h GLU 83 N 0.97 1.03 -0.26 2.33 5.08 -1.92 -2.82 114.58 118.98 1sy9 h GLU 83 Ca 0.26 -0.40 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 1sy9 h GLU 83 Cb -0.10 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1sy9 h GLU 83 CO -0.06 1.09 -0.13 0.93 -1.00 0.00 0.00 179.01 179.84 1sy9 h GLU 84 N 0.90 0.43 -0.20 2.33 5.08 -1.33 -2.86 114.58 118.93 1sy9 h GLU 84 Ca 0.13 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1sy9 h GLU 84 Cb 0.71 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1sy9 h GLU 84 CO 0.05 0.56 0.00 0.82 -1.00 0.00 0.00 179.01 179.45 1sy9 h ILE 85 N 0.40 1.25 -0.97 3.13 2.04 -1.14 -2.47 117.51 119.76 1sy9 h ILE 85 Ca 0.08 -0.86 0.01 0.00 1.00 0.00 0.00 64.86 65.09 1sy9 h ILE 85 Cb 0.47 1.42 -0.05 0.00 -0.74 0.00 0.00 36.82 37.92 1sy9 h ILE 85 CO 0.03 0.26 0.64 0.03 0.00 0.00 0.00 178.15 179.11 1sy9 h ARG 86 N 0.12 1.27 -0.36 2.37 3.08 -1.33 -2.22 114.38 117.31 1sy9 h ARG 86 Ca 0.06 -0.08 -0.16 0.00 0.07 0.00 0.00 59.98 59.87 1sy9 h ARG 86 Cb 0.38 -0.29 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1sy9 h ARG 86 CO 0.01 0.84 -0.41 0.93 -1.07 0.00 0.00 179.97 180.27 1sy9 h GLU 87 N 1.31 0.92 -0.31 0.04 5.08 -1.47 -2.89 114.58 117.26 1sy9 h GLU 87 Ca 0.35 -0.50 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 1sy9 h GLU 87 Cb -0.15 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1sy9 h GLU 87 CO -0.08 1.15 0.05 0.00 -1.00 0.00 0.00 179.01 179.14 1sy9 h ALA 88 N 0.75 0.42 -0.26 3.43 0.00 -1.21 -2.32 119.26 120.07 1sy9 h ALA 88 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1sy9 h ALA 88 Cb 1.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1sy9 h ALA 88 CO 0.10 0.11 0.17 0.35 0.00 0.00 0.00 179.25 179.98 1sy9 h PHE 89 N 0.34 0.33 -0.67 0.00 3.04 -1.46 -2.13 116.94 116.40 1sy9 h PHE 89 Ca 0.10 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.06 1sy9 h PHE 89 Cb 0.34 -0.11 -0.03 0.00 2.56 0.00 0.00 35.95 38.71 1sy9 h PHE 89 CO 0.02 0.21 0.44 -0.09 -2.02 0.00 0.00 178.31 176.87 1sy9 h ARG 90 N 0.35 0.88 -0.01 1.11 2.43 -1.43 0.51 114.38 118.22 1sy9 h ARG 90 Ca 0.10 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1sy9 h ARG 90 Cb -0.04 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.31 1sy9 h ARG 90 CO -0.02 0.58 -0.01 0.28 -1.51 0.00 0.00 179.97 179.29 1sy9 h VAL 91 N 0.91 1.37 -0.52 0.20 2.07 -1.03 -3.22 116.25 116.02 1sy9 h VAL 91 Ca 0.24 -1.09 -0.12 0.00 0.82 0.00 0.00 66.70 66.55 1sy9 h VAL 91 Cb -0.10 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1sy9 h VAL 91 CO -0.05 0.29 -0.16 -0.26 0.02 0.00 0.00 177.57 177.41 1sy9 h PHE 92 N -0.43 1.17 -0.82 1.57 0.04 -1.17 -3.33 116.94 113.96 1sy9 h PHE 92 Ca 0.00 -0.26 -0.68 0.00 2.80 0.00 0.00 57.97 59.84 1sy9 h PHE 92 Cb 0.47 -0.28 -0.08 0.00 2.20 0.00 0.00 35.95 38.26 1sy9 h PHE 92 CO 0.08 1.09 2.22 -3.47 -0.60 0.00 0.00 178.31 177.64 1sy9 n ASP 93 N -4.13 4.87 -0.14 2.17 -0.08 0.18 -4.76 116.55 114.66 1sy9 n ASP 93 Ca 0.01 -2.91 -0.12 0.00 -1.51 0.00 0.00 54.79 50.25 1sy9 n ASP 93 Cb 0.43 -1.75 -0.01 0.00 2.34 0.00 0.00 41.12 42.14 1sy9 n ASP 93 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1sy9 h LYS 94 N 7.55 0.97 0.00 -0.67 1.57 -1.72 -3.00 116.57 121.26 1sy9 h LYS 94 Ca 0.45 -0.46 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1sy9 h LYS 94 Cb 0.86 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.16 1sy9 h LYS 94 CO 1.47 1.13 -0.12 0.38 -0.57 0.00 0.00 179.45 181.74 1sy9 h ASP 95 N 0.81 0.00 -1.93 0.86 2.03 -1.92 -3.47 116.42 112.80 1sy9 h ASP 95 Ca 0.08 0.00 -0.29 0.00 -0.73 0.00 0.00 57.03 56.09 1sy9 h ASP 95 Cb 0.89 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.37 1sy9 h ASP 95 CO 0.08 0.12 -0.36 0.61 -1.03 0.00 0.00 179.24 178.66 1sy9 n GLY 96 N 0.84 -0.05 0.01 7.15 0.00 -1.14 -4.88 105.19 107.12 1sy9 n GLY 96 Ca 0.03 -0.28 0.09 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.73 0.05 0.00 1.61 6.94 -1.26 -4.86 115.26 117.00 1sy9 n ASN 97 Ca -0.17 0.51 0.00 0.00 -0.02 0.00 0.00 54.58 54.90 1sy9 n ASN 97 Cb 0.62 -0.52 0.00 0.00 -2.36 0.00 0.00 39.78 37.52 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 0.43 2.34 3.12 4.83 0.00 -1.26 -5.07 105.19 109.58 1sy9 n GLY 98 Ca 0.04 0.00 -0.10 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 -2.13 0.10 -0.06 1.61 1.13 -1.26 -2.64 117.35 114.10 1sy9 s TYR 99 Ca 0.00 -0.29 -0.21 0.00 -1.41 0.00 0.00 57.07 55.16 1sy9 s TYR 99 Cb 0.00 -0.08 -0.04 0.00 -1.10 0.00 0.00 41.96 40.74 1sy9 s TYR 99 CO 0.00 -0.34 0.61 0.42 -2.51 0.00 0.00 175.55 173.73 1sy9 s ILE 100 N -2.00 5.05 0.69 -3.49 1.01 -0.35 -4.89 121.20 117.22 1sy9 s ILE 100 Ca -0.10 1.25 -0.05 0.00 0.00 0.00 0.00 60.65 61.75 1sy9 s ILE 100 Cb -0.04 -3.95 0.07 0.00 0.01 0.00 0.00 42.46 38.55 1sy9 s ILE 100 CO -0.01 0.32 0.99 -0.44 0.00 0.00 0.00 174.94 175.79 1sy9 s SER 101 N 0.48 4.78 0.14 3.58 0.01 -1.26 -3.31 113.70 118.12 1sy9 s SER 101 Ca 0.32 0.30 -0.10 0.00 1.31 0.00 0.00 55.95 57.79 1sy9 s SER 101 Cb -0.17 -0.94 -0.04 0.00 0.21 0.00 0.00 66.02 65.08 1sy9 s SER 101 CO 0.16 -1.59 1.45 0.00 0.41 0.00 0.00 173.24 173.66 1sy9 h ALA 102 N -0.53 0.54 -0.52 1.44 0.00 -1.94 -2.87 119.26 115.38 1sy9 h ALA 102 Ca -0.43 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 53.92 1sy9 h ALA 102 Cb 1.31 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1sy9 h ALA 102 CO 0.56 0.68 0.06 0.00 0.00 0.00 0.00 179.25 180.56 1sy9 h ALA 103 N 0.76 1.14 -0.38 0.00 0.00 -1.98 -2.12 119.26 116.68 1sy9 h ALA 103 Ca 0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1sy9 h ALA 103 Cb 1.09 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1sy9 h ALA 103 CO 0.11 0.57 0.12 0.93 0.00 0.00 0.00 179.25 180.98 1sy9 h GLU 104 N 0.79 0.54 -0.41 0.00 5.08 -1.87 -2.23 114.58 116.47 1sy9 h GLU 104 Ca 0.16 -0.08 -0.15 0.00 -1.00 0.00 0.00 59.36 58.30 1sy9 h GLU 104 Cb 0.38 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1sy9 h GLU 104 CO 0.01 0.47 -0.31 -0.07 -1.00 0.00 0.00 179.01 178.11 1sy9 h LEU 105 N 0.54 0.99 -1.13 1.33 -0.00 -1.18 -3.14 115.31 112.71 1sy9 h LEU 105 Ca 0.13 -0.44 0.01 0.00 -0.00 0.00 0.00 57.88 57.58 1sy9 h LEU 105 Cb 0.16 -0.28 -0.04 0.00 -0.00 0.00 0.00 40.66 40.50 1sy9 h LEU 105 CO -0.01 1.22 0.59 -0.09 -0.00 0.00 0.00 178.44 180.15 1sy9 h ARG 106 N 0.77 1.16 -0.38 1.13 2.43 -0.92 -2.47 114.38 116.11 1sy9 h ARG 106 Ca 0.08 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1sy9 h ARG 106 Cb 0.90 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 1sy9 h ARG 106 CO 0.08 0.77 0.25 0.45 -1.51 0.00 0.00 179.97 180.01 1sy9 h HIS 107 N 1.20 0.48 -0.36 2.20 3.86 -1.45 -2.50 115.15 118.59 1sy9 h HIS 107 Ca 0.32 0.01 -0.17 0.00 -1.16 0.00 0.00 60.37 59.37 1sy9 h HIS 107 Cb -0.14 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.16 1sy9 h HIS 107 CO 0.00 0.31 -0.44 0.28 0.86 0.00 0.00 177.93 178.94 1sy9 h VAL 108 N 0.51 1.27 -0.02 2.45 2.07 -1.59 -2.35 116.25 118.60 1sy9 h VAL 108 Ca 0.14 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 66.05 1sy9 h VAL 108 Cb -0.05 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1sy9 h VAL 108 CO -0.03 0.54 -0.01 0.24 0.02 0.00 0.00 177.57 178.33 1sy9 h MET 109 N 0.74 -0.00 -0.38 1.57 2.07 -1.31 0.19 114.93 117.82 1sy9 h MET 109 Ca 0.05 0.00 -0.08 0.00 -2.07 0.00 0.00 59.70 57.59 1sy9 h MET 109 Cb 1.04 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.76 1sy9 h MET 109 CO 0.11 -0.00 -0.09 1.15 1.07 0.00 0.00 176.91 179.15 1sy9 h THR 110 N -0.00 1.28 -0.15 2.22 2.02 -1.51 -2.36 112.91 114.39 1sy9 h THR 110 Ca 0.01 -1.16 -0.02 0.00 0.77 0.00 0.00 66.41 66.01 1sy9 h THR 110 Cb 0.02 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1sy9 h THR 110 CO -0.02 0.38 0.01 -1.13 0.37 0.00 0.00 175.52 175.14 1sy9 h ASN 111 N 0.52 0.19 0.04 4.18 -0.73 -1.23 -2.07 115.58 116.47 1sy9 h ASN 111 Ca 0.10 -0.02 -0.13 0.00 1.87 0.00 0.00 56.30 58.12 1sy9 h ASN 111 Cb 0.60 -0.05 -0.01 0.00 0.27 0.00 0.00 38.32 39.13 1sy9 h ASN 111 CO 0.04 0.22 -0.41 -0.07 -0.37 0.00 0.00 177.43 176.84 1sy9 h LEU 112 N 0.21 0.50 0.00 0.34 3.38 -0.27 -3.47 115.31 116.01 1sy9 h LEU 112 Ca 0.05 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1sy9 h LEU 112 Cb 0.13 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1sy9 h LEU 112 CO 0.00 0.86 0.00 0.61 0.09 0.00 0.00 178.44 180.00 1sy9 n GLY 113 N -0.05 1.99 3.26 0.83 0.00 -0.78 -4.99 105.19 105.46 1sy9 n GLY 113 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.01 1.08 -0.15 1.61 2.02 -0.92 -5.04 118.70 117.29 1sy9 s GLU 114 Ca 0.00 -1.11 0.00 0.00 0.02 0.00 0.00 54.97 53.89 1sy9 s GLU 114 Cb 0.00 -1.29 -0.00 0.00 0.10 0.00 0.00 34.13 32.94 1sy9 s GLU 114 CO 0.00 0.30 -0.16 0.15 0.02 0.00 0.00 175.26 175.57 1sy9 s LYS 115 N -1.82 3.21 0.05 1.61 1.02 -1.26 -3.77 119.74 118.78 1sy9 s LYS 115 Ca 0.05 -0.75 0.01 0.00 0.02 0.00 0.00 55.97 55.29 1sy9 s LYS 115 Cb -0.10 -2.60 -0.03 0.00 -0.52 0.00 0.00 37.83 34.58 1sy9 s LYS 115 CO 0.04 0.04 -0.05 -0.51 -0.92 0.00 0.00 175.35 173.95 1sy9 s LEU 116 N 0.76 2.37 0.69 3.17 1.43 -1.26 -5.13 118.68 120.70 1sy9 s LEU 116 Ca -0.06 -0.75 -0.11 0.00 -1.03 0.00 0.00 54.13 52.17 1sy9 s LEU 116 Cb -0.15 0.02 0.01 0.00 0.03 0.00 0.00 46.19 46.09 1sy9 s LEU 116 CO 0.01 -0.39 1.09 -0.89 0.23 0.00 0.00 176.35 176.39 1sy9 s THR 117 N -2.54 3.69 0.50 5.49 2.01 -1.26 -4.91 115.64 118.62 1sy9 s THR 117 Ca -0.03 0.55 0.22 0.00 0.31 0.00 0.00 61.69 62.74 1sy9 s THR 117 Cb -0.02 -3.54 0.28 0.00 0.01 0.00 0.00 72.50 69.22 1sy9 s THR 117 CO -0.04 -0.72 2.12 0.44 -0.69 0.00 0.00 174.62 175.74 1sy9 h ASP 118 N -0.60 0.00 0.13 3.53 3.32 -2.01 -0.53 116.42 120.27 1sy9 h ASP 118 Ca -0.45 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.51 1sy9 h ASP 118 Cb 1.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 1sy9 h ASP 118 CO 0.63 0.07 -0.31 -0.33 -1.72 0.00 0.00 179.24 177.58 1sy9 h GLU 119 N 0.00 0.28 -0.32 3.56 5.08 -2.00 -2.00 114.58 119.18 1sy9 h GLU 119 Ca -0.00 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.13 1sy9 h GLU 119 Cb 0.16 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1sy9 h GLU 119 CO 0.01 0.57 -0.29 0.93 -1.00 0.00 0.00 179.01 179.23 1sy9 h GLU 120 N 0.25 0.66 -0.56 2.33 5.08 -1.45 -2.49 114.58 118.40 1sy9 h GLU 120 Ca 0.03 -0.29 -0.11 0.00 -1.00 0.00 0.00 59.36 57.99 1sy9 h GLU 120 Cb 0.68 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1sy9 h GLU 120 CO 0.05 0.88 -0.08 0.28 -1.00 0.00 0.00 179.01 179.14 1sy9 h VAL 121 N 0.57 1.27 -0.23 3.13 2.07 -1.20 -2.92 116.25 118.93 1sy9 h VAL 121 Ca 0.07 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1sy9 h VAL 121 Cb 0.79 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1sy9 h VAL 121 CO 0.06 0.44 0.15 -0.78 0.02 0.00 0.00 177.57 177.47 1sy9 h ASP 122 N 0.93 0.27 -1.00 0.57 1.82 -1.07 -2.58 116.42 115.35 1sy9 h ASP 122 Ca 0.15 -0.01 0.01 0.00 -0.39 0.00 0.00 57.03 56.79 1sy9 h ASP 122 Cb 0.64 -0.07 -0.05 0.00 0.68 0.00 0.00 39.33 40.54 1sy9 h ASP 122 CO 0.04 0.19 0.66 -0.08 -1.61 0.00 0.00 179.24 178.45 1sy9 h GLU 123 N 0.32 1.32 -0.92 0.28 4.81 -1.39 -1.46 114.58 117.54 1sy9 h GLU 123 Ca 0.09 -0.08 0.10 0.00 -0.13 0.00 0.00 59.36 59.33 1sy9 h GLU 123 Cb -0.04 -0.30 -0.07 0.00 0.63 0.00 0.00 28.75 28.98 1sy9 h GLU 123 CO -0.02 0.88 0.59 0.52 -0.73 0.00 0.00 179.01 180.25 1sy9 h MET 124 N 1.36 0.90 -0.59 1.92 2.86 -1.27 0.39 114.93 120.50 1sy9 h MET 124 Ca 0.37 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.86 1sy9 h MET 124 Cb -0.15 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.28 1sy9 h MET 124 CO -0.08 0.60 0.01 0.82 1.06 0.00 0.00 176.91 179.32 1sy9 h ILE 125 N 0.93 1.26 -0.90 -1.22 1.08 -1.07 -2.92 117.51 114.66 1sy9 h ILE 125 Ca 0.43 -1.12 0.06 0.00 -0.39 0.00 0.00 64.86 63.83 1sy9 h ILE 125 Cb 0.40 0.80 -0.06 0.00 -3.07 0.00 0.00 36.82 34.89 1sy9 h ILE 125 CO -0.19 0.41 0.59 -0.09 -0.69 0.00 0.00 178.15 178.18 1sy9 h ARG 126 N 0.94 1.03 -0.76 2.37 2.43 -0.36 0.55 114.38 120.57 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 0.53 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 1sy9 h ARG 126 CO 0.03 0.68 0.50 0.93 -1.51 0.00 0.00 179.97 180.60 1sy9 h GLU 127 N 1.06 1.00 -0.02 0.20 5.08 -1.23 -2.69 114.58 117.96 1sy9 h GLU 127 Ca 0.38 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1sy9 h GLU 127 Cb 0.15 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1sy9 h GLU 127 CO -0.14 0.66 -0.13 0.00 -1.00 0.00 0.00 179.01 178.41 1sy9 n ALA 128 N -2.42 2.75 -2.16 3.43 0.00 -0.73 -4.74 120.51 116.63 1sy9 n ALA 128 Ca 0.08 -0.62 -0.42 0.00 0.00 0.00 0.00 53.44 52.48 1sy9 n ALA 128 Cb 0.03 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 0.67 4.59 -0.16 0.00 -0.08 0.18 -4.69 116.55 117.07 1sy9 n ASP 129 Ca 0.10 -2.97 -0.11 0.00 -1.51 0.00 0.00 54.79 50.30 1sy9 n ASP 129 Cb 0.44 -1.58 -0.00 0.00 2.34 0.00 0.00 41.12 42.32 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 4.08 1.27 0.00 5.18 2.04 -1.85 -2.86 117.51 125.37 1sy9 h ILE 130 Ca 0.47 -1.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.12 1sy9 h ILE 130 Cb 0.67 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1sy9 h ILE 130 CO 1.69 0.42 -0.01 -2.24 0.00 0.00 0.00 178.15 178.01 1sy9 h ASP 131 N 0.75 0.00 0.00 1.72 2.03 -1.94 -3.47 116.42 115.51 1sy9 h ASP 131 Ca 0.12 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.42 1sy9 h ASP 131 Cb 0.63 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.13 1sy9 h ASP 131 CO 0.04 0.01 0.00 0.61 -1.03 0.00 0.00 179.24 178.87 1sy9 n GLY 132 N 0.29 0.40 0.00 7.15 0.00 -1.08 -4.93 105.19 107.03 1sy9 n GLY 132 Ca 0.01 -1.02 0.13 0.00 0.00 0.00 0.00 46.02 45.15 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 1.94 0.16 0.00 1.61 5.75 -1.26 -4.91 116.55 119.83 1sy9 n ASP 133 Ca 0.00 0.27 0.00 0.00 -0.01 0.00 0.00 54.79 55.05 1sy9 n ASP 133 Cb 0.10 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 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 1.50 0.75 3.01 6.12 0.00 -1.26 -5.04 105.19 110.26 1sy9 n GLY 134 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.51 0.41 -0.30 1.61 -0.21 -1.26 -4.83 119.66 114.57 1sy9 s GLN 135 Ca 0.00 -0.59 -0.20 0.00 0.02 0.00 0.00 55.36 54.58 1sy9 s GLN 135 Cb 0.00 -0.16 -0.01 0.00 1.00 0.00 0.00 33.01 33.84 1sy9 s GLN 135 CO 0.00 0.02 0.64 0.08 -2.12 0.00 0.00 175.29 173.91 1sy9 s VAL 136 N -1.17 4.94 0.73 1.09 1.01 -1.21 -4.80 120.40 120.99 1sy9 s VAL 136 Ca -0.10 0.91 -0.04 0.00 0.00 0.00 0.00 61.98 62.75 1sy9 s VAL 136 Cb -0.08 -4.00 0.11 0.00 0.00 0.00 0.00 36.38 32.41 1sy9 s VAL 136 CO -0.00 -0.12 1.01 0.20 0.00 0.00 0.00 175.10 176.19 1sy9 s ASN 137 N 1.61 4.38 0.10 3.32 0.01 -1.26 -1.21 114.94 121.90 1sy9 s ASN 137 Ca 0.26 -0.08 -0.20 0.00 -0.71 0.00 0.00 52.86 52.12 1sy9 s ASN 137 Cb -0.15 -0.37 -0.08 0.00 0.41 0.00 0.00 41.25 41.06 1sy9 s ASN 137 CO 0.11 -1.84 1.69 0.22 -1.51 0.00 0.00 177.10 175.78 1sy9 h TYR 138 N -0.62 0.26 -0.07 2.20 5.03 -1.92 -1.76 116.97 120.09 1sy9 h TYR 138 Ca -0.40 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 60.91 1sy9 h TYR 138 Cb 1.27 -0.08 -0.00 0.00 1.55 0.00 0.00 36.73 39.47 1sy9 h TYR 138 CO -0.16 0.25 0.05 0.93 -1.32 0.00 0.00 178.16 177.91 1sy9 h GLU 139 N 0.19 0.09 -0.43 1.82 4.39 -1.94 -2.68 114.58 116.02 1sy9 h GLU 139 Ca 0.07 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.72 1sy9 h GLU 139 Cb 0.08 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1sy9 h GLU 139 CO -0.01 0.06 0.09 0.93 -1.16 0.00 0.00 179.01 178.93 1sy9 h GLU 140 N 0.10 0.65 -0.49 2.33 5.08 -1.87 -2.75 114.58 117.63 1sy9 h GLU 140 Ca 0.03 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1sy9 h GLU 140 Cb -0.01 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1sy9 h GLU 140 CO -0.01 0.60 0.32 0.35 -1.00 0.00 0.00 179.01 179.28 1sy9 h PHE 141 N 0.63 0.62 -0.29 4.33 3.04 -1.00 -2.76 116.94 121.50 1sy9 h PHE 141 Ca 0.14 0.01 -0.15 0.00 3.98 0.00 0.00 57.97 61.95 1sy9 h PHE 141 Cb 0.26 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.55 1sy9 h PHE 141 CO 0.01 0.39 -0.43 0.28 -2.02 0.00 0.00 178.31 176.54 1sy9 h VAL 142 N 0.66 1.29 -0.29 1.41 2.07 -1.26 -3.07 116.25 117.06 1sy9 h VAL 142 Ca 0.18 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 66.09 1sy9 h VAL 142 Cb -0.08 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1sy9 h VAL 142 CO -0.04 0.52 0.19 -0.61 0.02 0.00 0.00 177.57 177.65 1sy9 h GLN 143 N 0.60 0.38 -0.93 1.57 4.15 -1.29 -0.75 115.11 118.83 1sy9 h GLN 143 Ca 0.04 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.45 1sy9 h GLN 143 Cb 0.98 -0.09 -0.05 0.00 0.21 0.00 0.00 27.48 28.54 1sy9 h GLN 143 CO 0.09 0.25 0.62 1.98 -1.93 0.00 0.00 178.83 179.84 1sy9 h MET 144 N 0.39 1.23 -0.64 1.69 4.05 -1.53 0.44 114.93 120.56 1sy9 h MET 144 Ca 0.11 -0.07 -0.09 0.00 -0.28 0.00 0.00 59.70 59.36 1sy9 h MET 144 Cb -0.04 -0.28 -0.02 0.00 -0.80 0.00 0.00 31.60 30.46 1sy9 h MET 144 CO -0.03 0.81 0.05 0.52 0.23 0.00 0.00 176.91 178.50 1sy9 h MET 145 N 1.26 1.10 -0.31 0.39 2.86 -1.33 -2.59 114.93 116.32 1sy9 h MET 145 Ca 0.34 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1sy9 h MET 145 Cb -0.15 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.40 1sy9 h MET 145 CO -0.07 1.04 0.00 2.41 1.06 0.00 0.00 176.91 181.35 1sy9 n THR 146 N -4.19 0.40 -3.54 2.22 -1.04 -0.34 -4.84 114.28 102.95 1sy9 n THR 146 Ca 0.04 -0.51 -0.38 0.00 -2.04 0.00 0.00 64.05 61.15 1sy9 n THR 146 Cb 0.33 0.46 -0.11 0.00 -1.82 0.00 0.00 70.33 69.19 1sy9 n THR 146 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sy9 s ALA 147 N -1.60 3.54 -1.89 2.41 0.00 0.15 -5.04 121.76 119.33 1sy9 s ALA 147 Ca 0.33 -1.04 0.15 0.00 0.00 0.00 0.00 51.96 51.40 1sy9 s ALA 147 Cb 0.18 -2.54 0.12 0.00 0.00 0.00 0.00 23.12 20.88 1sy9 s ALA 147 CO 0.25 -0.59 0.98 1.63 0.00 0.00 0.00 175.76 178.03