#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sy9 s ASP 2 N 0.00 2.91 0.25 0.00 -1.08 -1.26 -5.13 116.67 112.36 1sy9 s ASP 2 Ca 0.00 -0.70 0.11 0.00 -0.52 0.00 0.00 52.55 51.44 1sy9 s ASP 2 Cb 0.00 -0.94 -0.05 0.00 -1.46 0.00 0.00 42.92 40.47 1sy9 s ASP 2 CO 0.00 -0.19 -0.20 -1.10 0.52 0.00 0.00 175.17 174.21 1sy9 s GLN 3 N 1.61 1.59 0.88 4.34 -1.52 -1.26 -5.14 119.66 120.16 1sy9 s GLN 3 Ca 0.00 -1.69 -0.15 0.00 -1.95 0.00 0.00 55.36 51.58 1sy9 s GLN 3 Cb -0.15 -1.67 0.21 0.00 -0.22 0.00 0.00 33.01 31.17 1sy9 s GLN 3 CO -0.08 0.32 1.09 1.28 -0.25 0.00 0.00 175.29 177.65 1sy9 n LEU 4 N -0.40 0.00 -3.30 2.90 4.77 -1.26 -5.09 117.00 114.63 1sy9 n LEU 4 Ca -0.07 -1.19 -0.05 0.00 -0.03 0.00 0.00 56.01 54.67 1sy9 n LEU 4 Cb 0.59 -0.87 -0.06 0.00 -2.33 0.00 0.00 43.42 40.75 1sy9 n LEU 4 CO 0.36 -1.47 0.01 0.42 -1.33 0.00 0.00 177.39 175.38 1sy9 s THR 5 N -3.30 -0.71 -1.17 -5.08 -4.23 -1.26 -5.01 115.64 94.88 1sy9 s THR 5 Ca 0.64 -0.05 0.28 0.00 -1.18 0.00 0.00 61.69 61.37 1sy9 s THR 5 Cb -0.03 -0.86 0.21 0.00 1.34 0.00 0.00 72.50 73.16 1sy9 s THR 5 CO 0.45 -0.09 1.73 -0.62 -0.54 0.00 0.00 174.62 175.56 1sy9 n GLU 6 N 5.38 0.18 0.06 3.99 1.02 -1.26 -3.84 120.64 126.17 1sy9 n GLU 6 Ca -0.03 -0.06 -0.02 0.00 -0.02 0.00 0.00 57.16 57.02 1sy9 n GLU 6 Cb 0.50 -1.50 0.22 0.00 -0.02 0.00 0.00 31.44 30.65 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 0.15 0.36 -0.65 3.49 4.11 -2.02 -3.00 114.58 117.02 1sy9 h GLU 7 Ca 0.00 -0.15 -0.08 0.00 0.07 0.00 0.00 59.36 59.21 1sy9 h GLU 7 Cb 0.46 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 1sy9 h GLU 7 CO 0.00 0.64 0.10 1.96 0.07 0.00 0.00 179.01 181.78 1sy9 h GLN 8 N 0.31 1.06 -0.00 1.06 4.20 -2.02 -2.80 115.11 116.93 1sy9 h GLN 8 Ca 0.04 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.47 1sy9 h GLN 8 Cb 0.71 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.37 1sy9 h GLN 8 CO 0.05 0.97 0.00 0.82 -0.67 0.00 0.00 178.83 180.01 1sy9 h ILE 9 N 0.99 0.82 -0.71 2.54 2.04 -1.74 -1.88 117.51 119.57 1sy9 h ILE 9 Ca 0.20 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.00 1sy9 h ILE 9 Cb 0.43 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 1sy9 h ILE 9 CO 0.01 0.00 0.20 0.00 0.00 0.00 0.00 178.15 178.36 1sy9 h ALA 10 N 2.00 1.01 -1.00 1.87 0.00 -1.55 -2.36 119.26 119.23 1sy9 h ALA 10 Ca 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1sy9 h ALA 10 Cb 0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.47 1sy9 h ALA 10 CO -0.00 0.65 0.67 1.49 0.00 0.00 0.00 179.25 182.06 1sy9 h GLU 11 N 1.06 1.32 0.00 0.00 4.57 -1.44 -0.67 114.58 119.42 1sy9 h GLU 11 Ca 0.23 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1sy9 h GLU 11 Cb 0.33 -0.30 -0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1sy9 h GLU 11 CO -0.00 0.87 -0.00 0.74 -1.18 0.00 0.00 179.01 179.44 1sy9 h PHE 12 N 1.36 0.00 -0.43 0.92 0.04 -1.38 -2.50 116.94 114.95 1sy9 h PHE 12 Ca 0.37 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.99 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 0.00 -0.31 0.87 -0.60 0.00 0.00 178.31 178.27 1sy9 h LYS 13 N 0.00 0.97 0.81 1.51 1.79 -0.94 -2.09 116.57 118.62 1sy9 h LYS 13 Ca -0.00 -0.47 -0.04 0.00 -2.18 0.00 0.00 60.65 57.96 1sy9 h LYS 13 Cb 0.22 -0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.87 1sy9 h LYS 13 CO 0.00 1.13 -0.39 0.93 -1.08 0.00 0.00 179.45 180.05 1sy9 h GLU 14 N 0.81 -1.04 -0.01 3.15 5.08 -1.47 -3.21 114.58 117.88 1sy9 h GLU 14 Ca 0.08 0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 1sy9 h GLU 14 Cb 0.90 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1sy9 h GLU 14 CO 0.08 -0.69 -0.25 0.00 -1.00 0.00 0.00 179.01 177.15 1sy9 h ALA 15 N -1.23 1.57 -0.08 3.43 0.00 -1.64 -2.99 119.26 118.32 1sy9 h ALA 15 Ca -0.11 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.58 1sy9 h ALA 15 Cb 0.84 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1sy9 h ALA 15 CO 0.18 0.32 -0.02 0.35 0.00 0.00 0.00 179.25 180.09 1sy9 h PHE 16 N 0.02 -0.04 -0.61 0.00 3.04 -1.39 0.52 116.94 118.48 1sy9 h PHE 16 Ca 0.00 0.01 -0.10 0.00 3.98 0.00 0.00 57.97 61.86 1sy9 h PHE 16 Cb 0.45 0.03 -0.02 0.00 2.56 0.00 0.00 35.95 38.97 1sy9 h PHE 16 CO 0.00 -0.03 0.00 0.77 -2.02 0.00 0.00 178.31 177.03 1sy9 h SER 17 N 0.00 1.06 -0.78 0.41 0.02 -1.56 0.52 113.55 113.23 1sy9 h SER 17 Ca 0.04 -0.30 -0.04 0.00 -0.84 0.00 0.00 61.79 60.65 1sy9 h SER 17 Cb 0.06 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.28 1sy9 h SER 17 CO -0.08 1.10 0.34 0.25 -1.14 0.00 0.00 176.83 177.30 1sy9 h LEU 18 N 0.99 1.06 -0.43 5.07 5.85 -1.30 -2.48 115.31 124.06 1sy9 h LEU 18 Ca 0.17 -0.15 -0.18 0.00 0.84 0.00 0.00 57.88 58.57 1sy9 h LEU 18 Cb 0.56 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1sy9 h LEU 18 CO 0.03 0.92 -0.76 0.15 -0.34 0.00 0.00 178.44 178.45 1sy9 h PHE 19 N 1.14 0.34 -2.97 1.25 3.57 0.34 -3.40 116.94 117.21 1sy9 h PHE 19 Ca 0.27 -0.16 -0.67 0.00 3.53 0.00 0.00 57.97 60.93 1sy9 h PHE 19 Cb 0.17 -0.05 -0.17 0.00 2.79 0.00 0.00 35.95 38.69 1sy9 h PHE 19 CO 0.02 0.91 0.23 0.34 -2.23 0.00 0.00 178.31 177.58 1sy9 s ASP 20 N -6.93 6.21 0.27 0.41 2.15 0.15 -4.91 116.67 114.01 1sy9 s ASP 20 Ca -0.04 -1.09 -0.04 0.00 0.43 0.00 0.00 52.55 51.81 1sy9 s ASP 20 Cb 0.11 -2.34 0.34 0.00 -0.30 0.00 0.00 42.92 40.73 1sy9 s ASP 20 CO 0.82 -1.14 1.95 0.11 -0.17 0.00 0.00 175.17 176.74 1sy9 h LYS 21 N 9.23 1.22 0.00 4.34 1.79 -1.79 -2.30 116.57 129.07 1sy9 h LYS 21 Ca -0.28 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.11 1sy9 h LYS 21 Cb 1.08 -0.28 0.00 0.00 -1.58 0.00 0.00 32.23 31.46 1sy9 h LYS 21 CO 1.08 0.81 -0.00 -0.25 -1.08 0.00 0.00 179.45 180.01 1sy9 n ASP 22 N -4.39 0.54 -2.49 0.86 8.00 -1.26 -4.90 116.55 112.90 1sy9 n ASP 22 Ca 0.11 0.55 -0.18 0.00 0.71 0.00 0.00 54.79 55.98 1sy9 n ASP 22 Cb 0.02 -0.69 -0.01 0.00 -0.02 0.00 0.00 41.12 40.42 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 1.37 -0.50 0.34 0.44 0.00 -0.87 -4.82 105.19 101.16 1sy9 n GLY 23 Ca 0.06 0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.97 1.22 0.00 1.61 5.75 -1.26 -4.92 116.55 116.98 1sy9 n ASP 24 Ca -0.19 -1.15 0.00 0.00 -0.01 0.00 0.00 54.79 53.45 1sy9 n ASP 24 Cb 0.65 0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.81 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 1.27 0.73 3.10 6.12 0.00 -1.26 -5.06 105.19 110.09 1sy9 n GLY 25 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.33 0.02 -0.26 2.61 -4.23 -1.26 -4.28 115.64 105.92 1sy9 s THR 26 Ca 0.00 -0.16 -0.10 0.00 -1.18 0.00 0.00 61.69 60.25 1sy9 s THR 26 Cb 0.00 -0.34 -0.05 0.00 1.34 0.00 0.00 72.50 73.45 1sy9 s THR 26 CO 0.00 -0.09 0.16 -0.63 -0.54 0.00 0.00 174.62 173.53 1sy9 s ILE 27 N -0.25 5.23 -0.05 2.99 1.01 -1.21 -4.93 121.20 123.98 1sy9 s ILE 27 Ca -0.04 0.14 -0.12 0.00 0.00 0.00 0.00 60.65 60.63 1sy9 s ILE 27 Cb -0.03 -3.46 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 1sy9 s ILE 27 CO 0.01 0.31 0.31 -0.89 0.00 0.00 0.00 174.94 174.67 1sy9 s THR 28 N 1.37 5.21 0.47 2.92 2.01 -1.26 -3.94 115.64 122.42 1sy9 s THR 28 Ca 0.07 0.60 0.34 0.00 0.31 0.00 0.00 61.69 63.01 1sy9 s THR 28 Cb -0.15 -3.60 0.54 0.00 0.01 0.00 0.00 72.50 69.31 1sy9 s THR 28 CO 0.07 0.58 1.63 0.71 -0.69 0.00 0.00 174.62 176.93 1sy9 h THR 29 N 3.85 0.13 -0.10 -0.82 1.35 -1.94 0.74 112.91 116.13 1sy9 h THR 29 Ca -0.52 -0.02 -0.01 0.00 -0.55 0.00 0.00 66.41 65.30 1sy9 h THR 29 Cb 1.22 0.06 -0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1sy9 h THR 29 CO 0.61 0.01 0.03 0.50 -0.25 0.00 0.00 175.52 176.42 1sy9 h LYS 30 N 0.07 0.16 0.62 4.72 1.63 -1.99 -2.00 116.57 119.77 1sy9 h LYS 30 Ca 0.82 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 60.55 1sy9 h LYS 30 Cb 2.75 -0.02 0.01 0.00 -0.60 0.00 0.00 32.23 34.37 1sy9 h LYS 30 CO -0.30 0.32 -0.30 0.93 -3.45 0.00 0.00 179.45 176.65 1sy9 h GLU 31 N -0.03 -0.80 -0.44 1.90 5.08 0.10 -2.98 114.58 117.40 1sy9 h GLU 31 Ca 0.03 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1sy9 h GLU 31 Cb 0.23 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1sy9 h GLU 31 CO -0.00 -0.53 0.23 1.25 -1.00 0.00 0.00 179.01 178.96 1sy9 h LEU 32 N -0.83 0.54 -1.75 1.33 6.46 -1.49 -1.85 115.31 117.73 1sy9 h LEU 32 Ca -0.08 -0.04 0.11 0.00 -0.12 0.00 0.00 57.88 57.75 1sy9 h LEU 32 Cb 0.63 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.39 1sy9 h LEU 32 CO 0.14 0.45 0.39 1.23 -0.62 0.00 0.00 178.44 180.02 1sy9 h GLY 33 N 0.70 0.41 1.19 3.75 0.00 -1.21 -0.56 103.07 107.36 1sy9 h GLY 33 Ca 0.16 -0.12 -0.16 0.00 0.00 0.00 0.00 47.33 47.21 1sy9 h GLY 33 CO -0.02 0.06 -0.42 -0.84 0.00 0.00 0.00 176.54 175.32 1sy9 h THR 34 N 0.28 1.28 0.74 4.70 2.02 -1.27 -1.47 112.91 119.19 1sy9 h THR 34 Ca 0.27 -1.59 -0.04 0.00 0.77 0.00 0.00 66.41 65.82 1sy9 h THR 34 Cb 0.68 1.44 0.01 0.00 -1.74 0.00 0.00 68.15 68.54 1sy9 h THR 34 CO -0.06 0.53 -0.36 0.58 0.37 0.00 0.00 175.52 176.58 1sy9 h VAL 35 N 0.71 0.27 -0.00 3.16 2.07 -1.11 -1.66 116.25 119.69 1sy9 h VAL 35 Ca 0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1sy9 h VAL 35 Cb 1.00 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1sy9 h VAL 35 CO 0.10 0.00 0.00 0.24 0.02 0.00 0.00 177.57 177.93 1sy9 h MET 36 N -1.00 0.00 -0.40 1.57 2.86 -1.52 -1.90 114.93 114.54 1sy9 h MET 36 Ca -0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1sy9 h MET 36 Cb 0.77 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.41 1sy9 h MET 36 CO 0.17 0.00 0.27 -0.09 1.06 0.00 0.00 176.91 178.31 1sy9 h ARG 37 N 0.00 0.53 0.00 1.72 2.43 -0.32 -1.29 114.38 117.45 1sy9 h ARG 37 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1sy9 h ARG 37 Cb 0.00 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1sy9 h ARG 37 CO -0.00 0.35 0.00 1.03 -1.51 0.00 0.00 179.97 179.84 1sy9 h SER 38 N 0.54 0.00 0.96 -3.80 0.87 -0.89 -2.69 113.55 108.54 1sy9 h SER 38 Ca 0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1sy9 h SER 38 Cb -0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1sy9 h SER 38 CO -0.03 0.00 -0.94 -0.07 -0.53 0.00 0.00 176.83 175.26 1sy9 h LEU 39 N 0.00 0.00 0.00 2.23 -0.00 -1.18 -3.47 115.31 112.89 1sy9 h LEU 39 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 1sy9 h LEU 39 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.10 1sy9 h LEU 39 CO 0.00 0.03 0.00 0.61 -0.00 0.00 0.00 178.44 179.08 1sy9 n GLY 40 N 1.21 0.24 3.77 0.83 0.00 -0.65 -4.98 105.19 105.61 1sy9 n GLY 40 Ca 0.01 0.02 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 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 1.14 -0.03 1.61 -2.07 -0.59 -4.90 119.66 114.82 1sy9 s GLN 41 Ca 0.00 -0.66 0.07 0.00 -1.82 0.00 0.00 55.36 52.95 1sy9 s GLN 41 Cb 0.00 0.37 -0.02 0.00 -1.09 0.00 0.00 33.01 32.27 1sy9 s GLN 41 CO 0.00 -0.53 -0.25 0.54 -1.32 0.00 0.00 175.29 173.73 1sy9 s ASN 42 N -3.06 2.96 0.00 12.60 4.22 -1.26 -2.19 114.94 128.21 1sy9 s ASN 42 Ca 0.15 -0.47 0.00 0.00 -2.14 0.00 0.00 52.86 50.40 1sy9 s ASN 42 Cb -0.01 -0.45 0.00 0.00 1.28 0.00 0.00 41.25 42.07 1sy9 s ASN 42 CO 0.02 0.29 0.00 -0.81 -2.04 0.00 0.00 177.10 174.57 1sy9 n PRO 43 N 2.58 2.52 -4.07 3.55 -0.04 -1.26 -4.99 135.00 133.29 1sy9 n PRO 43 Ca -0.16 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.18 1sy9 n PRO 43 Cb 0.51 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.86 1sy9 n PRO 43 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1sy9 s THR 44 N 0.00 0.49 0.63 0.52 -4.23 -1.26 -4.99 115.64 106.81 1sy9 s THR 44 Ca 0.00 -1.25 0.28 0.00 -1.18 0.00 0.00 61.69 59.54 1sy9 s THR 44 Cb 0.00 -0.80 0.32 0.00 1.34 0.00 0.00 72.50 73.35 1sy9 s THR 44 CO 0.00 -0.52 1.85 -0.33 -0.54 0.00 0.00 174.62 175.08 1sy9 h GLU 45 N 4.17 0.00 0.40 3.99 5.08 -1.96 0.96 114.58 127.21 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 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1sy9 h GLU 45 CO 0.46 0.00 -0.19 0.00 -1.00 0.00 0.00 179.01 178.28 1sy9 h ALA 46 N 1.30 -0.54 -0.14 3.43 0.00 -2.00 -2.76 119.26 118.55 1sy9 h ALA 46 Ca 0.09 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1sy9 h ALA 46 Cb 0.97 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1sy9 h ALA 46 CO -0.00 -0.50 -0.47 1.49 0.00 0.00 0.00 179.25 179.77 1sy9 h GLU 47 N -1.15 0.35 -0.78 0.00 4.81 -1.74 -2.79 114.58 113.29 1sy9 h GLU 47 Ca -0.06 -0.19 0.07 0.00 -0.13 0.00 0.00 59.36 59.05 1sy9 h GLU 47 Cb 0.41 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.75 1sy9 h GLU 47 CO 0.09 0.75 0.51 -0.07 -0.73 0.00 0.00 179.01 179.56 1sy9 h LEU 48 N 0.28 0.72 -0.80 1.64 3.38 0.82 -0.91 115.31 120.44 1sy9 h LEU 48 Ca 0.02 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 1sy9 h LEU 48 Cb 0.93 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1sy9 h LEU 48 CO 0.08 0.46 -0.57 -0.61 0.09 0.00 0.00 178.44 177.89 1sy9 h GLN 49 N 0.82 0.08 -0.17 1.13 -0.00 -1.21 -2.94 115.11 112.81 1sy9 h GLN 49 Ca 0.34 -0.05 -0.08 0.00 -0.00 0.00 0.00 58.65 58.85 1sy9 h GLN 49 Cb 0.27 0.01 -0.00 0.00 0.00 0.00 0.00 27.48 27.76 1sy9 h GLN 49 CO -0.12 0.63 -0.22 -0.44 0.00 0.00 0.00 178.83 178.68 1sy9 h ASP 50 N 0.06 0.49 -0.67 -0.69 3.32 -1.09 -1.08 116.42 116.77 1sy9 h ASP 50 Ca -0.00 -0.51 -0.04 0.00 0.02 0.00 0.00 57.03 56.50 1sy9 h ASP 50 Cb 1.03 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.41 1sy9 h ASP 50 CO 0.08 0.90 0.26 0.24 -1.72 0.00 0.00 179.24 179.01 1sy9 h MET 51 N 0.10 1.00 -0.09 3.56 2.86 -1.47 -2.05 114.93 118.85 1sy9 h MET 51 Ca 0.02 -0.18 -0.10 0.00 -2.06 0.00 0.00 59.70 57.38 1sy9 h MET 51 Cb 0.78 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 1sy9 h MET 51 CO 0.05 0.84 -0.40 0.82 1.06 0.00 0.00 176.91 179.28 1sy9 h ILE 52 N 0.95 1.30 -0.27 -1.22 2.04 -1.53 -3.18 117.51 115.60 1sy9 h ILE 52 Ca 0.22 -1.46 0.03 0.00 1.00 0.00 0.00 64.86 64.64 1sy9 h ILE 52 Cb 0.21 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 1sy9 h ILE 52 CO -0.02 0.43 0.10 -1.13 0.00 0.00 0.00 178.15 177.54 1sy9 h ASN 53 N 0.16 0.13 0.38 1.72 -1.24 -0.45 0.97 115.58 117.26 1sy9 h ASN 53 Ca 0.02 0.02 -0.02 0.00 0.71 0.00 0.00 56.30 57.03 1sy9 h ASN 53 Cb 0.78 0.01 -0.00 0.00 0.73 0.00 0.00 38.32 39.83 1sy9 h ASN 53 CO 0.06 0.11 -0.10 -0.08 -1.29 0.00 0.00 177.43 176.12 1sy9 h GLU 54 N 0.23 0.00 0.00 6.67 4.81 -1.51 -2.47 114.58 122.31 1sy9 h GLU 54 Ca 0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1sy9 h GLU 54 Cb 0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1sy9 h GLU 54 CO -0.11 0.10 -1.09 0.28 -0.73 0.00 0.00 179.01 177.46 1sy9 n VAL 55 N -3.58 0.02 -2.17 0.32 0.31 -0.42 -4.86 118.33 107.95 1sy9 n VAL 55 Ca -0.02 -0.10 -0.40 0.00 -0.01 0.00 0.00 64.34 63.81 1sy9 n VAL 55 Cb 0.23 0.68 -0.03 0.00 -0.91 0.00 0.00 33.84 33.81 1sy9 n VAL 55 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1sy9 s ASP 56 N -3.34 5.59 0.18 4.52 1.01 0.32 -4.84 116.67 120.13 1sy9 s ASP 56 Ca 0.05 0.31 -0.09 0.00 0.71 0.00 0.00 52.55 53.54 1sy9 s ASP 56 Cb 0.16 -2.54 0.07 0.00 1.01 0.00 0.00 42.92 41.62 1sy9 s ASP 56 CO 0.85 -2.13 1.65 0.00 0.21 0.00 0.00 175.17 175.75 1sy9 h ALA 57 N 13.43 0.84 0.02 5.23 0.00 -1.88 -3.14 119.26 133.76 1sy9 h ALA 57 Ca -0.27 -0.31 -0.29 0.00 0.00 0.00 0.00 54.91 54.04 1sy9 h ALA 57 Cb 1.14 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1sy9 h ALA 57 CO 1.20 0.68 -1.62 0.38 0.00 0.00 0.00 179.25 179.89 1sy9 h ASP 58 N 1.00 0.07 0.00 0.00 2.03 -1.95 -3.48 116.42 114.08 1sy9 h ASP 58 Ca 0.18 -0.12 0.00 0.00 -0.73 0.00 0.00 57.03 56.35 1sy9 h ASP 58 Cb 0.55 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.03 1sy9 h ASP 58 CO 0.03 1.11 0.00 0.61 -1.03 0.00 0.00 179.24 179.96 1sy9 n GLY 59 N 1.57 0.84 0.14 7.15 0.00 -1.19 -4.97 105.19 108.73 1sy9 n GLY 59 Ca -0.16 -0.57 -0.06 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 0.19 0.00 1.61 -1.07 -1.94 -3.47 115.58 110.90 1sy9 h ASN 60 Ca 0.00 -0.13 0.00 0.00 0.07 0.00 0.00 56.30 56.24 1sy9 h ASN 60 Cb 0.24 -0.06 0.00 0.00 -2.07 0.00 0.00 38.32 36.44 1sy9 h ASN 60 CO 0.00 0.87 0.00 0.61 0.07 0.00 0.00 177.43 178.98 1sy9 n GLY 61 N 0.60 0.86 3.29 9.14 0.00 -1.26 -5.12 105.19 112.70 1sy9 n GLY 61 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.73 0.54 -0.25 2.61 -4.23 -1.26 -4.88 115.64 106.43 1sy9 s THR 62 Ca 0.00 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.43 1sy9 s THR 62 Cb 0.00 -2.51 -0.03 0.00 1.34 0.00 0.00 72.50 71.29 1sy9 s THR 62 CO 0.00 -0.10 0.10 -0.63 -0.54 0.00 0.00 174.62 173.45 1sy9 s ILE 63 N -3.77 4.58 0.45 2.99 1.01 -1.25 -4.80 121.20 120.42 1sy9 s ILE 63 Ca 0.35 -0.08 0.07 0.00 0.00 0.00 0.00 60.65 60.99 1sy9 s ILE 63 Cb 0.07 -3.15 0.02 0.00 0.01 0.00 0.00 42.46 39.41 1sy9 s ILE 63 CO 0.11 0.32 0.62 -1.81 0.00 0.00 0.00 174.94 174.19 1sy9 s ASP 64 N 1.61 5.56 0.20 3.58 1.01 -1.26 -3.35 116.67 124.02 1sy9 s ASP 64 Ca 0.06 -0.35 -0.12 0.00 0.71 0.00 0.00 52.55 52.86 1sy9 s ASP 64 Cb -0.15 -0.68 0.25 0.00 1.01 0.00 0.00 42.92 43.35 1sy9 s ASP 64 CO 0.05 -0.86 1.67 0.15 0.21 0.00 0.00 175.17 176.39 1sy9 h PHE 65 N 0.50 -0.07 -0.28 4.23 3.04 -1.99 0.25 116.94 122.61 1sy9 h PHE 65 Ca -0.40 0.04 -0.13 0.00 3.98 0.00 0.00 57.97 61.46 1sy9 h PHE 65 Cb 1.28 0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.90 1sy9 h PHE 65 CO 0.39 -0.16 -0.36 -1.00 -2.02 0.00 0.00 178.31 175.16 1sy9 h PRO 66 N 0.10 0.64 -0.38 6.41 0.13 -1.96 -2.50 132.00 134.43 1sy9 h PRO 66 Ca 0.29 -0.31 -0.16 0.00 -0.87 0.00 0.00 66.00 64.95 1sy9 h PRO 66 Cb 0.46 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 1sy9 h PRO 66 CO -0.50 0.91 -0.40 0.93 -0.23 0.00 0.00 178.00 178.71 1sy9 h GLU 67 N 0.53 0.94 -0.43 0.86 5.08 -1.72 -2.91 114.58 116.94 1sy9 h GLU 67 Ca 0.05 -0.50 0.01 0.00 -1.00 0.00 0.00 59.36 57.92 1sy9 h GLU 67 Cb 0.87 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 1sy9 h GLU 67 CO 0.08 1.16 0.28 0.35 -1.00 0.00 0.00 179.01 179.88 1sy9 h PHE 68 N 0.76 0.54 -0.77 4.33 3.57 -0.40 -2.74 116.94 122.23 1sy9 h PHE 68 Ca 0.06 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 1sy9 h PHE 68 Cb 0.99 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 1sy9 h PHE 68 CO 0.06 0.33 0.28 -0.07 -2.23 0.00 0.00 178.31 176.69 1sy9 h LEU 69 N 0.58 1.08 -0.60 0.59 3.38 -1.43 -2.97 115.31 115.95 1sy9 h LEU 69 Ca 0.16 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1sy9 h LEU 69 Cb -0.06 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.38 1sy9 h LEU 69 CO -0.04 0.98 0.40 0.74 0.09 0.00 0.00 178.44 180.61 1sy9 h THR 70 N 1.12 1.16 -0.90 0.22 2.02 -1.30 -2.73 112.91 112.50 1sy9 h THR 70 Ca 0.25 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 1sy9 h THR 70 Cb 0.26 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 66.89 1sy9 h THR 70 CO -0.02 0.15 0.48 -0.03 0.37 0.00 0.00 175.52 176.47 1sy9 h MET 71 N 0.82 1.26 -0.03 6.66 1.85 -1.34 -2.60 114.93 121.55 1sy9 h MET 71 Ca 0.22 -0.15 0.00 0.00 -0.61 0.00 0.00 59.70 59.16 1sy9 h MET 71 Cb -0.10 -0.24 -0.00 0.00 0.43 0.00 0.00 31.60 31.69 1sy9 h MET 71 CO -0.05 0.93 0.02 1.98 -0.40 0.00 0.00 176.91 179.39 1sy9 h MET 72 N 1.26 0.03 -0.56 0.39 -1.53 -1.35 0.14 114.93 113.31 1sy9 h MET 72 Ca 0.31 -0.00 0.01 0.00 -3.44 0.00 0.00 59.70 56.58 1sy9 h MET 72 Cb 0.04 -0.01 -0.03 0.00 -0.55 0.00 0.00 31.60 31.06 1sy9 h MET 72 CO -0.05 0.02 0.37 0.00 0.14 0.00 0.00 176.91 177.40 1sy9 h ALA 73 N 1.01 1.60 -0.05 0.39 0.00 -1.37 -1.38 119.26 119.47 1sy9 h ALA 73 Ca 0.01 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.65 1sy9 h ALA 73 Cb -0.00 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.57 1sy9 h ALA 73 CO -0.00 0.37 -0.90 0.00 0.00 0.00 0.00 179.25 178.72 1sy9 h ARG 74 N 0.76 0.58 -0.37 0.00 3.08 -1.06 -3.30 114.38 114.07 1sy9 h ARG 74 Ca 0.21 -0.56 -0.17 0.00 0.07 0.00 0.00 59.98 59.53 1sy9 h ARG 74 Cb -0.09 0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 1sy9 h ARG 74 CO -0.04 1.18 -0.41 0.87 -1.07 0.00 0.00 179.97 180.49 1sy9 h LYS 75 N 0.36 0.94 -0.27 0.04 1.79 -0.18 -3.01 116.57 116.23 1sy9 h LYS 75 Ca -0.08 -0.51 0.00 0.00 -2.18 0.00 0.00 60.65 57.88 1sy9 h LYS 75 Cb 1.53 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 32.19 1sy9 h LYS 75 CO 0.17 1.16 0.18 0.52 -1.08 0.00 0.00 179.45 180.40 1sy9 h MET 76 N 0.75 0.36 -0.47 3.15 2.86 -1.36 -1.35 114.93 118.87 1sy9 h MET 76 Ca 0.05 -0.02 -0.14 0.00 -2.06 0.00 0.00 59.70 57.53 1sy9 h MET 76 Cb 1.01 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 1sy9 h MET 76 CO 0.10 0.24 -0.25 1.57 1.06 0.00 0.00 176.91 179.64 1sy9 h LYS 77 N 0.37 1.00 0.00 1.72 2.10 -1.64 -2.96 116.57 117.16 1sy9 h LYS 77 Ca 0.10 -0.44 -0.01 0.00 -2.00 0.00 0.00 60.65 58.30 1sy9 h LYS 77 Cb -0.04 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.26 1sy9 h LYS 77 CO -0.02 1.12 -0.05 0.22 -2.00 0.00 0.00 179.45 178.72 1sy9 h ASP 78 N 0.85 0.00 -2.70 7.07 1.82 -1.40 -3.45 116.42 118.61 1sy9 h ASP 78 Ca 0.10 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.74 1sy9 h ASP 78 Cb 0.83 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.84 1sy9 h ASP 78 CO 0.07 0.05 0.00 1.07 -1.61 0.00 0.00 179.24 178.82 1sy9 n THR 79 N -3.17 0.00 -4.56 2.25 5.66 -0.52 -5.10 114.28 108.85 1sy9 n THR 79 Ca 0.00 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.78 1sy9 n THR 79 Cb 0.33 -0.64 -0.16 0.00 -1.55 0.00 0.00 70.33 68.32 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 -0.66 1.54 0.43 1.09 1.01 -1.26 -4.95 116.67 113.87 1sy9 s ASP 80 Ca 0.00 -0.24 0.09 0.00 0.71 0.00 0.00 52.55 53.11 1sy9 s ASP 80 Cb 0.00 -0.37 0.92 0.00 1.01 0.00 0.00 42.92 44.48 1sy9 s ASP 80 CO 0.00 0.11 2.06 -1.28 0.21 0.00 0.00 175.17 176.27 1sy9 h SER 81 N 6.23 0.36 -0.44 0.27 0.87 -1.99 -1.01 113.55 117.83 1sy9 h SER 81 Ca -0.33 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1sy9 h SER 81 Cb 1.17 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 63.02 1sy9 h SER 81 CO 0.48 0.29 0.29 -0.33 -0.53 0.00 0.00 176.83 177.04 1sy9 h GLU 82 N 0.42 0.59 -0.38 2.24 5.08 -2.01 -2.01 114.58 118.51 1sy9 h GLU 82 Ca 0.11 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.27 1sy9 h GLU 82 Cb 0.01 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1sy9 h GLU 82 CO -0.02 0.39 -0.40 0.93 -1.00 0.00 0.00 179.01 178.92 1sy9 h GLU 83 N 0.61 0.94 -0.30 2.33 5.08 -1.60 -3.01 114.58 118.61 1sy9 h GLU 83 Ca 0.16 -0.50 -0.06 0.00 -1.00 0.00 0.00 59.36 57.96 1sy9 h GLU 83 Cb -0.06 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1sy9 h GLU 83 CO -0.03 1.16 -0.06 0.93 -1.00 0.00 0.00 179.01 180.00 1sy9 h GLU 84 N 0.76 0.49 -0.26 2.33 5.08 -1.21 -2.77 114.58 118.99 1sy9 h GLU 84 Ca 0.06 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 1sy9 h GLU 84 Cb 0.99 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1sy9 h GLU 84 CO 0.10 0.56 -0.19 0.82 -1.00 0.00 0.00 179.01 179.30 1sy9 h ILE 85 N 0.46 1.31 -0.61 3.13 2.04 -1.41 -2.08 117.51 120.35 1sy9 h ILE 85 Ca 0.09 -1.33 0.01 0.00 1.00 0.00 0.00 64.86 64.64 1sy9 h ILE 85 Cb 0.40 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 1sy9 h ILE 85 CO 0.02 0.42 0.40 0.03 0.00 0.00 0.00 178.15 179.02 1sy9 h ARG 86 N 0.32 0.80 -0.37 2.37 3.08 -1.39 -2.21 114.38 116.98 1sy9 h ARG 86 Ca 0.05 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 59.89 1sy9 h ARG 86 Cb 0.73 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.60 1sy9 h ARG 86 CO 0.05 0.53 -0.41 0.93 -1.07 0.00 0.00 179.97 179.99 1sy9 h GLU 87 N 0.82 0.93 -0.49 0.04 5.08 -1.50 -2.61 114.58 116.85 1sy9 h GLU 87 Ca 0.22 -0.51 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1sy9 h GLU 87 Cb -0.09 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1sy9 h GLU 87 CO -0.05 1.16 0.30 0.00 -1.00 0.00 0.00 179.01 179.42 1sy9 h ALA 88 N 0.77 0.62 -0.50 3.43 0.00 -1.16 -2.48 119.26 119.94 1sy9 h ALA 88 Ca 0.05 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1sy9 h ALA 88 Cb 1.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1sy9 h ALA 88 CO 0.10 0.10 -0.15 0.35 0.00 0.00 0.00 179.25 179.65 1sy9 h PHE 89 N 0.65 1.08 -0.98 0.00 3.04 -1.42 -3.08 116.94 116.24 1sy9 h PHE 89 Ca 0.17 -0.24 0.00 0.00 3.98 0.00 0.00 57.97 61.89 1sy9 h PHE 89 Cb -0.02 -0.26 -0.05 0.00 2.56 0.00 0.00 35.95 38.18 1sy9 h PHE 89 CO -0.03 1.04 0.62 -0.09 -2.02 0.00 0.00 178.31 177.82 1sy9 h ARG 90 N 0.85 1.31 -0.28 1.11 2.43 -1.14 -1.24 114.38 117.42 1sy9 h ARG 90 Ca 0.12 -0.10 -0.18 0.00 -0.81 0.00 0.00 59.98 59.02 1sy9 h ARG 90 Cb 0.71 -0.28 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1sy9 h ARG 90 CO 0.05 0.89 -0.54 -0.39 -1.51 0.00 0.00 179.97 178.48 1sy9 h VAL 91 N 1.34 1.28 -0.23 0.20 -1.51 -1.42 -3.21 116.25 112.70 1sy9 h VAL 91 Ca 0.35 -1.73 -0.16 0.00 -1.23 0.00 0.00 66.70 63.93 1sy9 h VAL 91 Cb -0.11 1.64 -0.01 0.00 -2.13 0.00 0.00 31.29 30.68 1sy9 h VAL 91 CO -0.07 0.56 -0.52 -0.26 -1.23 0.00 0.00 177.57 176.05 1sy9 h PHE 92 N 0.63 0.80 0.00 5.19 0.04 -1.43 -3.34 116.94 118.84 1sy9 h PHE 92 Ca 0.02 -0.27 -0.70 0.00 2.80 0.00 0.00 57.97 59.81 1sy9 h PHE 92 Cb 1.13 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 39.10 1sy9 h PHE 92 CO 0.07 1.03 3.19 -3.47 -0.60 0.00 0.00 178.31 178.53 1sy9 n ASP 93 N -3.98 4.31 -0.12 2.17 2.03 -0.48 -4.72 116.55 115.75 1sy9 n ASP 93 Ca -0.03 -2.81 -0.08 0.00 0.52 0.00 0.00 54.79 52.39 1sy9 n ASP 93 Cb 0.59 -1.64 0.00 0.00 -0.72 0.00 0.00 41.12 39.36 1sy9 n ASP 93 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1sy9 h LYS 94 N 5.94 0.51 0.00 -0.67 1.57 -1.76 -1.30 116.57 120.85 1sy9 h LYS 94 Ca 0.60 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.34 1sy9 h LYS 94 Cb 0.61 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1sy9 h LYS 94 CO 1.88 0.34 -0.02 0.38 -0.57 0.00 0.00 179.45 181.45 1sy9 h ASP 95 N 0.53 0.00 -1.45 0.86 2.03 -1.95 -3.46 116.42 112.97 1sy9 h ASP 95 Ca 0.14 0.00 -0.30 0.00 -0.73 0.00 0.00 57.03 56.14 1sy9 h ASP 95 Cb -0.06 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 38.38 1sy9 h ASP 95 CO -0.03 0.02 -0.33 0.61 -1.03 0.00 0.00 179.24 178.48 1sy9 n GLY 96 N -0.01 0.60 0.00 7.15 0.00 -0.49 -4.86 105.19 107.58 1sy9 n GLY 96 Ca 0.00 -0.29 0.07 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.64 0.00 0.00 1.61 6.94 -1.26 -4.84 115.26 117.06 1sy9 n ASN 97 Ca -0.16 0.48 0.00 0.00 -0.02 0.00 0.00 54.58 54.87 1sy9 n ASN 97 Cb 0.57 -0.49 0.00 0.00 -2.36 0.00 0.00 39.78 37.50 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 0.01 0.45 2.96 4.83 0.00 -1.26 -5.04 105.19 107.13 1sy9 n GLY 98 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.15 0.41 -0.25 1.61 1.51 -1.26 -4.42 117.35 112.81 1sy9 s TYR 99 Ca 0.00 -0.15 -0.20 0.00 -1.01 0.00 0.00 57.07 55.70 1sy9 s TYR 99 Cb 0.00 -0.26 -0.02 0.00 -0.11 0.00 0.00 41.96 41.57 1sy9 s TYR 99 CO 0.00 -0.03 0.63 0.42 -1.11 0.00 0.00 175.55 175.47 1sy9 s ILE 100 N -0.35 4.99 0.70 2.71 1.01 -1.22 -4.96 121.20 124.08 1sy9 s ILE 100 Ca -0.01 1.15 -0.08 0.00 0.00 0.00 0.00 60.65 61.71 1sy9 s ILE 100 Cb -0.03 -3.94 0.05 0.00 0.01 0.00 0.00 42.46 38.55 1sy9 s ILE 100 CO -0.00 0.04 1.03 -0.44 0.00 0.00 0.00 174.94 175.57 1sy9 s SER 101 N 1.43 4.95 0.16 3.58 0.01 -1.26 -3.92 113.70 118.66 1sy9 s SER 101 Ca 0.27 0.62 -0.11 0.00 1.31 0.00 0.00 55.95 58.04 1sy9 s SER 101 Cb -0.16 -1.32 0.04 0.00 0.21 0.00 0.00 66.02 64.80 1sy9 s SER 101 CO 0.09 -1.54 1.63 0.00 0.41 0.00 0.00 173.24 173.83 1sy9 h ALA 102 N -0.61 0.74 -0.71 1.44 0.00 -1.96 -2.65 119.26 115.52 1sy9 h ALA 102 Ca -0.45 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.14 1sy9 h ALA 102 Cb 1.30 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1sy9 h ALA 102 CO 0.62 0.56 0.31 0.00 0.00 0.00 0.00 179.25 180.73 1sy9 h ALA 103 N 0.97 1.21 -0.93 0.00 0.00 -1.98 -2.51 119.26 116.02 1sy9 h ALA 103 Ca 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1sy9 h ALA 103 Cb 0.52 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1sy9 h ALA 103 CO 0.03 0.59 0.54 0.93 0.00 0.00 0.00 179.25 181.33 1sy9 h GLU 104 N 1.01 1.28 -0.43 0.00 5.08 -1.85 -2.14 114.58 117.54 1sy9 h GLU 104 Ca 0.24 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1sy9 h GLU 104 Cb 0.15 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1sy9 h GLU 104 CO -0.03 0.91 0.16 1.25 -1.00 0.00 0.00 179.01 180.30 1sy9 h LEU 105 N 1.29 0.61 -1.67 1.33 6.46 -1.18 -2.70 115.31 119.45 1sy9 h LEU 105 Ca 0.33 -0.19 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 1sy9 h LEU 105 Cb -0.02 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 39.73 1sy9 h LEU 105 CO -0.06 0.63 0.14 -0.09 -0.62 0.00 0.00 178.44 178.44 1sy9 h ARG 106 N 0.56 0.35 -0.77 1.25 2.43 -1.13 -2.70 114.38 114.37 1sy9 h ARG 106 Ca 0.14 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1sy9 h ARG 106 Cb 0.22 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 1sy9 h ARG 106 CO -0.01 0.27 0.51 1.25 -1.51 0.00 0.00 179.97 180.48 1sy9 h HIS 107 N 0.36 0.97 -0.11 2.20 2.76 -1.05 -2.35 115.15 117.92 1sy9 h HIS 107 Ca 0.09 0.02 -0.24 0.00 -2.20 0.00 0.00 60.37 58.05 1sy9 h HIS 107 Cb 0.02 -0.33 0.01 0.00 1.55 0.00 0.00 27.41 28.67 1sy9 h HIS 107 CO 0.00 0.61 -0.85 0.28 -1.30 0.00 0.00 177.93 176.67 1sy9 h VAL 108 N 1.04 1.27 -0.20 5.26 2.07 -1.54 -2.49 116.25 121.67 1sy9 h VAL 108 Ca 0.28 -2.04 0.03 0.00 0.82 0.00 0.00 66.70 65.79 1sy9 h VAL 108 Cb -0.12 2.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 1sy9 h VAL 108 CO -0.06 0.64 0.02 0.24 0.02 0.00 0.00 177.57 178.44 1sy9 h MET 109 N 0.51 0.10 -0.36 1.57 2.07 -1.30 0.46 114.93 117.97 1sy9 h MET 109 Ca -0.07 -0.01 -0.04 0.00 -2.07 0.00 0.00 59.70 57.51 1sy9 h MET 109 Cb 1.49 -0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 31.18 1sy9 h MET 109 CO 0.17 0.06 0.09 1.15 1.07 0.00 0.00 176.91 179.45 1sy9 h THR 110 N 0.10 1.23 0.00 2.22 2.02 -1.50 -2.16 112.91 114.81 1sy9 h THR 110 Ca 0.09 -0.77 -0.02 0.00 0.77 0.00 0.00 66.41 66.49 1sy9 h THR 110 Cb 0.10 1.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1sy9 h THR 110 CO -0.14 0.26 -0.08 0.78 0.37 0.00 0.00 175.52 176.72 1sy9 h ASN 111 N 0.43 0.00 0.43 4.18 2.35 -0.99 -1.30 115.58 120.68 1sy9 h ASN 111 Ca 0.11 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.75 1sy9 h ASN 111 Cb 0.31 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1sy9 h ASN 111 CO 0.00 0.08 -0.49 -0.07 -1.65 0.00 0.00 177.43 175.30 1sy9 h LEU 112 N 0.00 0.08 0.00 1.61 3.38 0.55 -3.47 115.31 117.46 1sy9 h LEU 112 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1sy9 h LEU 112 Cb 0.14 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1sy9 h LEU 112 CO 0.01 0.56 0.00 0.61 0.09 0.00 0.00 178.44 179.71 1sy9 n GLY 113 N -0.08 1.81 3.22 0.83 0.00 -0.49 -4.90 105.19 105.58 1sy9 n GLY 113 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.25 2.07 -0.28 1.61 2.12 -1.04 -5.05 118.70 117.88 1sy9 s GLU 114 Ca 0.00 -0.78 -0.11 0.00 0.36 0.00 0.00 54.97 54.44 1sy9 s GLU 114 Cb 0.00 -1.83 -0.05 0.00 0.26 0.00 0.00 34.13 32.51 1sy9 s GLU 114 CO 0.00 0.37 0.19 0.15 -0.54 0.00 0.00 175.26 175.43 1sy9 s LYS 115 N -0.21 3.95 0.09 4.30 1.02 -1.26 -4.03 119.74 123.59 1sy9 s LYS 115 Ca 0.00 -0.32 0.02 0.00 0.02 0.00 0.00 55.97 55.69 1sy9 s LYS 115 Cb -0.11 -3.66 -0.04 0.00 -0.52 0.00 0.00 37.83 33.50 1sy9 s LYS 115 CO 0.02 -0.18 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.69 1sy9 s LEU 116 N 1.76 2.47 0.66 3.17 1.43 -1.26 -5.15 118.68 121.76 1sy9 s LEU 116 Ca 0.07 -0.93 -0.11 0.00 -1.03 0.00 0.00 54.13 52.13 1sy9 s LEU 116 Cb -0.16 -0.09 -0.02 0.00 0.03 0.00 0.00 46.19 45.95 1sy9 s LEU 116 CO 0.11 -0.42 1.05 0.42 0.23 0.00 0.00 176.35 177.74 1sy9 s THR 117 N -3.24 4.29 0.50 5.49 -4.23 -1.26 -4.91 115.64 112.28 1sy9 s THR 117 Ca 0.08 0.74 0.21 0.00 -1.18 0.00 0.00 61.69 61.55 1sy9 s THR 117 Cb 0.03 -3.69 0.27 0.00 1.34 0.00 0.00 72.50 70.45 1sy9 s THR 117 CO -0.04 -0.97 2.13 -0.78 -0.54 0.00 0.00 174.62 174.42 1sy9 h ASP 118 N -0.48 0.00 0.15 3.99 1.82 -2.01 -0.05 116.42 119.84 1sy9 h ASP 118 Ca -0.44 0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.07 1sy9 h ASP 118 Cb 1.21 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.21 1sy9 h ASP 118 CO 0.61 0.07 -0.44 -0.33 -1.61 0.00 0.00 179.24 177.54 1sy9 h GLU 119 N 0.00 0.36 -0.36 0.28 5.08 -2.00 -1.95 114.58 116.00 1sy9 h GLU 119 Ca -0.00 -0.19 -0.11 0.00 -1.00 0.00 0.00 59.36 58.06 1sy9 h GLU 119 Cb 0.14 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1sy9 h GLU 119 CO 0.01 0.74 -0.22 0.93 -1.00 0.00 0.00 179.01 179.47 1sy9 h GLU 120 N 0.30 0.71 -0.37 2.33 5.08 -1.37 -2.64 114.58 118.61 1sy9 h GLU 120 Ca 0.02 -0.28 -0.16 0.00 -1.00 0.00 0.00 59.36 57.94 1sy9 h GLU 120 Cb 0.90 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1sy9 h GLU 120 CO 0.08 0.87 -0.41 0.28 -1.00 0.00 0.00 179.01 178.82 1sy9 h VAL 121 N 0.62 1.27 -0.88 3.13 2.07 -1.16 -3.11 116.25 118.20 1sy9 h VAL 121 Ca 0.09 -1.58 0.01 0.00 0.82 0.00 0.00 66.70 66.04 1sy9 h VAL 121 Cb 0.70 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 1sy9 h VAL 121 CO 0.05 0.53 0.58 -0.78 0.02 0.00 0.00 177.57 177.98 1sy9 h ASP 122 N 0.76 1.01 -0.98 0.57 1.82 -1.16 -2.04 116.42 116.39 1sy9 h ASP 122 Ca 0.06 -0.03 0.03 0.00 -0.39 0.00 0.00 57.03 56.70 1sy9 h ASP 122 Cb 1.01 -0.25 -0.05 0.00 0.68 0.00 0.00 39.33 40.71 1sy9 h ASP 122 CO 0.10 0.73 0.65 -0.08 -1.61 0.00 0.00 179.24 179.03 1sy9 h GLU 123 N 1.19 1.24 -0.79 0.28 4.81 -1.40 -0.86 114.58 119.06 1sy9 h GLU 123 Ca 0.32 -0.07 0.12 0.00 -0.13 0.00 0.00 59.36 59.60 1sy9 h GLU 123 Cb -0.14 -0.28 -0.06 0.00 0.63 0.00 0.00 28.75 28.90 1sy9 h GLU 123 CO -0.07 0.82 0.52 0.52 -0.73 0.00 0.00 179.01 180.07 1sy9 h MET 124 N 1.28 0.61 -0.52 1.92 2.86 -1.39 0.92 114.93 120.61 1sy9 h MET 124 Ca 0.38 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.87 1sy9 h MET 124 Cb -0.06 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.45 1sy9 h MET 124 CO -0.10 0.41 -0.13 0.82 1.06 0.00 0.00 176.91 178.96 1sy9 h ILE 125 N 0.63 1.27 -0.86 -1.22 1.08 -1.18 -2.98 117.51 114.25 1sy9 h ILE 125 Ca 0.38 -1.28 0.05 0.00 -0.39 0.00 0.00 64.86 63.61 1sy9 h ILE 125 Cb 0.60 1.00 -0.05 0.00 -3.07 0.00 0.00 36.82 35.30 1sy9 h ILE 125 CO -0.15 0.45 0.56 -0.09 -0.69 0.00 0.00 178.15 178.24 1sy9 h ARG 126 N 0.88 1.00 -0.69 2.37 2.43 -0.39 0.87 114.38 120.85 1sy9 h ARG 126 Ca 0.13 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1sy9 h ARG 126 Cb 0.69 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 1sy9 h ARG 126 CO 0.05 0.66 0.46 0.93 -1.51 0.00 0.00 179.97 180.56 1sy9 h GLU 127 N 1.03 0.90 -0.01 0.20 5.08 -1.27 -2.59 114.58 117.91 1sy9 h GLU 127 Ca 0.35 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1sy9 h GLU 127 Cb 0.10 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1sy9 h GLU 127 CO -0.12 0.60 -0.35 0.00 -1.00 0.00 0.00 179.01 178.14 1sy9 n ALA 128 N -2.43 3.25 -1.97 3.43 0.00 -0.63 -4.73 120.51 117.41 1sy9 n ALA 128 Ca 0.07 -0.58 -0.42 0.00 0.00 0.00 0.00 53.44 52.51 1sy9 n ALA 128 Cb 0.04 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 0.02 4.28 -0.07 0.00 -0.08 0.29 -4.73 116.55 116.27 1sy9 n ASP 129 Ca 0.08 -2.91 -0.11 0.00 -1.51 0.00 0.00 54.79 50.34 1sy9 n ASP 129 Cb 0.40 -1.62 -0.04 0.00 2.34 0.00 0.00 41.12 42.19 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 1.21 0.00 5.18 2.04 -1.85 -2.91 117.51 125.27 1sy9 h ILE 130 Ca 0.51 -0.70 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1sy9 h ILE 130 Cb 0.66 1.25 -0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1sy9 h ILE 130 CO 1.78 0.22 -0.01 -2.24 0.00 0.00 0.00 178.15 177.90 1sy9 h ASP 131 N 0.17 0.00 0.00 1.72 2.03 -1.93 -3.46 116.42 114.95 1sy9 h ASP 131 Ca 0.07 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.37 1sy9 h ASP 131 Cb 0.29 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.79 1sy9 h ASP 131 CO 0.00 0.01 0.00 0.61 -1.03 0.00 0.00 179.24 178.83 1sy9 n GLY 132 N 0.06 0.48 0.01 7.15 0.00 -1.10 -4.93 105.19 106.86 1sy9 n GLY 132 Ca 0.01 -0.92 0.14 0.00 0.00 0.00 0.00 46.02 45.24 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 1.77 0.10 0.00 1.61 5.75 -1.26 -4.90 116.55 119.62 1sy9 n ASP 133 Ca 0.00 0.43 0.00 0.00 -0.01 0.00 0.00 54.79 55.21 1sy9 n ASP 133 Cb 0.12 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 39.77 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 0.71 3.08 6.12 0.00 -1.26 -5.04 105.19 110.28 1sy9 n GLY 134 Ca 0.07 0.00 -0.08 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 -0.60 0.55 -0.28 1.61 -0.21 -1.26 -4.81 119.66 114.66 1sy9 s GLN 135 Ca 0.00 -0.95 -0.15 0.00 0.02 0.00 0.00 55.36 54.28 1sy9 s GLN 135 Cb 0.00 0.20 -0.03 0.00 1.00 0.00 0.00 33.01 34.18 1sy9 s GLN 135 CO 0.00 -0.12 0.40 0.08 -2.12 0.00 0.00 175.29 173.53 1sy9 s VAL 136 N -3.04 5.15 0.72 1.09 1.01 -1.25 -4.69 120.40 119.39 1sy9 s VAL 136 Ca -0.01 0.56 -0.05 0.00 0.00 0.00 0.00 61.98 62.48 1sy9 s VAL 136 Cb 0.02 -3.74 0.10 0.00 0.00 0.00 0.00 36.38 32.75 1sy9 s VAL 136 CO -0.07 0.11 1.02 0.20 0.00 0.00 0.00 175.10 176.36 1sy9 s ASN 137 N 1.64 4.49 0.09 3.32 0.01 -1.26 -3.42 114.94 119.81 1sy9 s ASN 137 Ca 0.16 0.10 -0.23 0.00 -0.71 0.00 0.00 52.86 52.17 1sy9 s ASN 137 Cb -0.16 -0.61 -0.15 0.00 0.41 0.00 0.00 41.25 40.74 1sy9 s ASN 137 CO 0.10 -1.78 1.74 0.22 -1.51 0.00 0.00 177.10 175.87 1sy9 h TYR 138 N -0.63 -0.00 -0.83 2.20 3.20 -1.98 -1.48 116.97 117.45 1sy9 h TYR 138 Ca -0.41 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.45 1sy9 h TYR 138 Cb 1.29 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.52 1sy9 h TYR 138 CO -0.05 0.00 0.51 1.05 -1.64 0.00 0.00 178.16 178.03 1sy9 h GLU 139 N -0.01 1.11 -0.41 1.82 4.11 -1.97 -2.43 114.58 116.81 1sy9 h GLU 139 Ca -0.00 -0.09 -0.08 0.00 0.07 0.00 0.00 59.36 59.26 1sy9 h GLU 139 Cb 0.01 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 1sy9 h GLU 139 CO 0.00 0.77 -0.08 0.93 0.07 0.00 0.00 179.01 180.70 1sy9 h GLU 140 N 1.13 0.70 -0.53 1.06 5.08 -1.85 -2.63 114.58 117.54 1sy9 h GLU 140 Ca 0.30 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1sy9 h GLU 140 Cb -0.07 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1sy9 h GLU 140 CO -0.06 0.77 0.27 0.35 -1.00 0.00 0.00 179.01 179.34 1sy9 h PHE 141 N 0.65 0.75 -0.18 4.33 3.57 -0.80 -2.32 116.94 122.94 1sy9 h PHE 141 Ca 0.12 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 1sy9 h PHE 141 Cb 0.52 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 1sy9 h PHE 141 CO 0.02 0.58 -0.20 0.28 -2.23 0.00 0.00 178.31 176.76 1sy9 h VAL 142 N 0.71 1.34 -0.52 1.41 2.07 -1.32 -2.68 116.25 117.26 1sy9 h VAL 142 Ca 0.18 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.33 1sy9 h VAL 142 Cb 0.10 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 1sy9 h VAL 142 CO -0.03 0.41 0.33 -0.61 0.02 0.00 0.00 177.57 177.70 1sy9 h GLN 143 N 0.10 0.69 -0.90 1.57 5.75 -1.46 -0.47 115.11 120.40 1sy9 h GLN 143 Ca 0.03 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 1sy9 h GLN 143 Cb 0.75 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 29.10 1sy9 h GLN 143 CO 0.05 0.48 0.48 1.98 -2.65 0.00 0.00 178.83 179.16 1sy9 h MET 144 N 0.70 1.26 -0.52 1.69 4.05 -1.46 0.69 114.93 121.35 1sy9 h MET 144 Ca 0.19 -0.16 -0.12 0.00 -0.28 0.00 0.00 59.70 59.33 1sy9 h MET 144 Cb -0.06 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 30.49 1sy9 h MET 144 CO -0.04 0.93 -0.16 0.52 0.23 0.00 0.00 176.91 178.39 1sy9 h MET 145 N 1.26 1.03 -0.06 0.39 2.86 -1.09 -2.65 114.93 116.67 1sy9 h MET 145 Ca 0.31 -0.41 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1sy9 h MET 145 Cb 0.05 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1sy9 h MET 145 CO -0.05 1.10 0.00 2.41 1.06 0.00 0.00 176.91 181.43 1sy9 n THR 146 N -4.13 0.06 -1.76 2.22 -1.04 -0.23 -4.92 114.28 104.49 1sy9 n THR 146 Ca 0.01 -0.26 -0.41 0.00 -2.04 0.00 0.00 64.05 61.34 1sy9 n THR 146 Cb 0.43 0.39 -0.01 0.00 -1.82 0.00 0.00 70.33 69.32 1sy9 n THR 146 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sy9 n ALA 147 N 0.13 2.58 1.35 2.41 0.00 0.24 -5.03 120.51 122.18 1sy9 n ALA 147 Ca 0.18 0.36 0.13 0.00 0.00 0.00 0.00 53.44 54.12 1sy9 n ALA 147 Cb 0.33 -2.46 0.40 0.00 0.00 0.00 0.00 19.45 17.71 1sy9 n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13