#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ix0 s VAL 2 N 0.00 3.81 0.59 3.15 1.01 -1.26 -1.00 120.40 126.70 1ix0 s VAL 2 Ca 0.00 -1.22 -0.18 0.00 0.00 0.00 0.00 61.98 60.58 1ix0 s VAL 2 Cb 0.00 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1ix0 s VAL 2 CO 0.00 -0.25 1.15 -0.36 0.00 0.00 0.00 175.10 175.64 1ix0 s PHE 3 N 1.39 2.55 0.28 5.22 0.08 -0.65 -5.00 117.98 121.86 1ix0 s PHE 3 Ca -0.01 1.54 -0.08 0.00 0.12 0.00 0.00 56.93 58.50 1ix0 s PHE 3 Cb -0.20 -3.33 -0.06 0.00 -0.57 0.00 0.00 43.02 38.86 1ix0 s PHE 3 CO 0.02 -1.82 0.59 -1.21 -0.10 0.00 0.00 175.22 172.71 1ix0 s GLU 4 N -3.48 3.75 0.05 0.44 2.02 -1.26 -4.88 118.70 115.35 1ix0 s GLU 4 Ca 0.73 0.23 -0.11 0.00 0.02 0.00 0.00 54.97 55.84 1ix0 s GLU 4 Cb -0.25 -2.60 -0.03 0.00 0.10 0.00 0.00 34.13 31.35 1ix0 s GLU 4 CO 0.32 0.22 1.18 -0.09 0.02 0.00 0.00 175.26 176.91 1ix0 h ARG 5 N 2.04 -0.06 0.00 1.61 2.43 -1.96 -1.24 114.38 117.20 1ix0 h ARG 5 Ca -0.47 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.64 1ix0 h ARG 5 Cb 1.18 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 1ix0 h ARG 5 CO 0.67 -0.04 -0.30 0.00 -1.51 0.00 0.00 179.97 178.79 1ix0 h GLU 7 N 0.00 0.38 -0.31 0.00 4.81 -1.86 -1.75 114.58 115.84 1ix0 h GLU 7 Ca -0.00 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1ix0 h GLU 7 Cb 0.56 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1ix0 h GLU 7 CO 0.04 0.31 0.12 1.25 -0.73 0.00 0.00 179.01 180.00 1ix0 h LEU 8 N 0.34 0.44 -0.61 1.64 5.85 -0.72 -1.64 115.31 120.60 1ix0 h LEU 8 Ca 0.10 -0.18 0.11 0.00 0.84 0.00 0.00 57.88 58.75 1ix0 h LEU 8 Cb 0.04 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 40.87 1ix0 h LEU 8 CO -0.02 0.50 0.17 0.00 -0.34 0.00 0.00 178.44 178.76 1ix0 h ALA 9 N 0.96 0.76 -0.36 1.25 0.00 -1.03 0.10 119.26 120.94 1ix0 h ALA 9 Ca 0.10 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 1ix0 h ALA 9 Cb 0.21 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1ix0 h ALA 9 CO -0.01 -0.26 -0.33 0.00 0.00 0.00 0.00 179.25 178.65 1ix0 h ARG 10 N 0.32 0.81 -0.24 0.00 3.08 -1.25 -1.17 114.38 115.92 1ix0 h ARG 10 Ca 0.32 -0.38 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1ix0 h ARG 10 Cb 0.45 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1ix0 h ARG 10 CO -0.37 1.02 0.14 1.15 -1.07 0.00 0.00 179.97 180.83 1ix0 h THR 11 N 0.68 1.11 -0.73 2.04 2.02 -0.28 -0.47 112.91 117.27 1ix0 h THR 11 Ca 0.07 -0.27 -0.05 0.00 0.77 0.00 0.00 66.41 66.93 1ix0 h THR 11 Cb 0.87 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 1ix0 h THR 11 CO 0.08 0.10 0.26 -0.07 0.37 0.00 0.00 175.52 176.26 1ix0 h LEU 12 N 0.29 1.02 -0.17 2.58 3.38 -0.74 -2.00 115.31 119.68 1ix0 h LEU 12 Ca 0.09 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1ix0 h LEU 12 Cb 0.05 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1ix0 h LEU 12 CO -0.01 0.93 0.09 0.50 0.09 0.00 0.00 178.44 180.03 1ix0 h LYS 13 N 1.07 0.23 0.00 1.13 3.64 -0.78 -1.96 116.57 119.90 1ix0 h LYS 13 Ca 0.24 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1ix0 h LYS 13 Cb 0.25 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1ix0 h LYS 13 CO -0.01 0.25 -0.05 0.00 -2.27 0.00 0.00 179.45 177.36 1ix0 h ARG 14 N 0.16 0.00 -0.07 1.90 3.08 -0.93 -0.52 114.38 118.00 1ix0 h ARG 14 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1ix0 h ARG 14 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1ix0 h ARG 14 CO -0.01 0.05 0.00 1.28 -1.07 0.00 0.00 179.97 180.23 1ix0 n LEU 15 N -4.33 0.59 -0.17 3.04 4.77 -0.77 -4.91 117.00 115.22 1ix0 n LEU 15 Ca -0.03 -0.26 -0.02 0.00 -0.03 0.00 0.00 56.01 55.67 1ix0 n LEU 15 Cb 0.14 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1ix0 n LEU 15 CO 0.33 0.13 -0.02 0.61 -1.33 0.00 0.00 177.39 177.12 1ix0 n GLY 16 N 0.85 0.34 0.14 -0.72 0.00 -0.20 -4.98 105.19 100.61 1ix0 n GLY 16 Ca 0.12 -0.85 0.09 0.00 0.00 0.00 0.00 46.02 45.38 1ix0 n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1ix0 h MET 17 N 0.00 0.00 -6.26 1.61 2.86 -1.53 -3.40 114.93 108.21 1ix0 h MET 17 Ca -0.04 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.03 1ix0 h MET 17 Cb 0.87 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.50 1ix0 h MET 17 CO 0.05 0.07 1.27 0.34 1.06 0.00 0.00 176.91 179.69 1ix0 s ASP 18 N -5.71 5.87 0.00 1.22 2.15 -1.26 -2.12 116.67 116.82 1ix0 s ASP 18 Ca 0.01 1.17 0.00 0.00 0.43 0.00 0.00 52.55 54.17 1ix0 s ASP 18 Cb 0.08 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1ix0 s ASP 18 CO 0.76 -1.75 0.00 0.61 -0.17 0.00 0.00 175.17 174.62 1ix0 n GLY 19 N 5.42 0.66 3.67 2.66 0.00 0.17 -4.91 105.19 112.85 1ix0 n GLY 19 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1ix0 n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ix0 s TYR 20 N -2.41 1.58 -1.40 1.61 5.04 -0.90 -0.94 117.35 119.93 1ix0 s TYR 20 Ca 0.00 -0.28 -0.10 0.00 -2.44 0.00 0.00 57.07 54.25 1ix0 s TYR 20 Cb 0.00 -4.19 0.07 0.00 0.35 0.00 0.00 41.96 38.18 1ix0 s TYR 20 CO 0.00 -5.21 0.62 0.54 -1.34 0.00 0.00 175.55 170.16 1ix0 n ARG 21 N 7.01 -4.05 -0.99 4.97 5.12 -1.26 -1.16 116.66 126.30 1ix0 n ARG 21 Ca 0.19 0.57 0.00 0.00 -1.93 0.00 0.00 57.85 56.68 1ix0 n ARG 21 Cb 0.40 -5.34 0.00 0.00 -1.16 0.00 0.00 32.46 26.37 1ix0 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ix0 n GLY 22 N -1.34 0.62 3.60 -0.13 0.00 -0.11 -4.99 105.19 102.83 1ix0 n GLY 22 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 1ix0 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ix0 s ILE 23 N -2.52 5.16 0.77 -0.61 1.01 -0.31 -4.86 121.20 119.84 1ix0 s ILE 23 Ca 0.00 0.51 -0.11 0.00 0.00 0.00 0.00 60.65 61.05 1ix0 s ILE 23 Cb 0.00 -3.73 0.06 0.00 0.01 0.00 0.00 42.46 38.80 1ix0 s ILE 23 CO 0.00 0.11 1.10 -0.94 0.00 0.00 0.00 174.94 175.21 1ix0 s SER 24 N 1.65 4.40 0.25 3.58 1.04 -1.26 0.44 113.70 123.80 1ix0 s SER 24 Ca 0.15 1.91 -0.06 0.00 0.48 0.00 0.00 55.95 58.44 1ix0 s SER 24 Cb -0.16 -2.53 0.27 0.00 0.10 0.00 0.00 66.02 63.70 1ix0 s SER 24 CO 0.10 -2.11 1.91 0.25 0.98 0.00 0.00 173.24 174.38 1ix0 h LEU 25 N -1.01 1.12 -1.60 2.42 5.85 -1.91 -1.89 115.31 118.29 1ix0 h LEU 25 Ca -0.44 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.25 1ix0 h LEU 25 Cb 1.24 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 1ix0 h LEU 25 CO 0.50 0.84 0.30 0.00 -0.34 0.00 0.00 178.44 179.74 1ix0 h ALA 26 N 1.36 1.76 -0.22 1.25 0.00 -1.92 -0.44 119.26 121.06 1ix0 h ALA 26 Ca 0.34 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.12 1ix0 h ALA 26 Cb -0.10 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1ix0 h ALA 26 CO -0.07 0.19 -0.29 -0.91 0.00 0.00 0.00 179.25 178.18 1ix0 h ASN 27 N 0.53 0.64 -0.73 0.00 2.35 -1.69 -1.55 115.58 115.13 1ix0 h ASN 27 Ca 0.18 -0.50 -0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1ix0 h ASN 27 Cb 0.05 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.21 1ix0 h ASN 27 CO -0.04 1.01 0.44 -0.50 -1.65 0.00 0.00 177.43 176.69 1ix0 h TRP 28 N 0.28 0.96 -0.43 1.19 4.06 -1.01 -0.44 115.95 120.55 1ix0 h TRP 28 Ca 0.03 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.89 1ix0 h TRP 28 Cb 0.86 -0.32 -0.01 0.00 -1.00 0.00 0.00 29.16 28.69 1ix0 h TRP 28 CO 0.08 0.64 -0.07 0.52 -3.56 0.00 0.00 178.44 176.05 1ix0 h MET 29 N 1.01 0.81 -0.64 0.49 2.86 -1.02 -0.41 114.93 118.04 1ix0 h MET 29 Ca 0.26 -0.30 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 1ix0 h MET 29 Cb -0.04 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 1ix0 h MET 29 CO -0.05 0.91 0.19 0.00 1.06 0.00 0.00 176.91 179.03 1ix0 h LEU 31 N 0.92 -0.17 -1.16 0.00 5.85 -0.85 -1.84 115.31 118.06 1ix0 h LEU 31 Ca 0.20 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1ix0 h LEU 31 Cb 0.30 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1ix0 h LEU 31 CO -0.01 -0.07 0.51 0.00 -0.34 0.00 0.00 178.44 178.53 1ix0 h ALA 32 N 0.59 1.38 0.47 1.25 0.00 -0.98 0.77 119.26 122.73 1ix0 h ALA 32 Ca -0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1ix0 h ALA 32 Cb 0.20 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1ix0 h ALA 32 CO 0.03 0.56 -0.24 -0.22 0.00 0.00 0.00 179.25 179.37 1ix0 h LYS 33 N 1.10 -0.64 0.00 0.00 1.63 -0.79 -1.61 116.57 116.28 1ix0 h LYS 33 Ca 0.29 0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 60.05 1ix0 h LYS 33 Cb -0.08 0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 1ix0 h LYS 33 CO -0.06 -0.42 -0.43 -1.49 -3.45 0.00 0.00 179.45 173.60 1ix0 h TRP 34 N -0.66 0.00 0.06 1.91 4.06 -1.13 0.62 115.95 120.81 1ix0 h TRP 34 Ca -0.06 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.74 1ix0 h TRP 34 Cb 0.52 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.69 1ix0 h TRP 34 CO -0.06 0.43 -0.61 0.93 -3.56 0.00 0.00 178.44 175.57 1ix0 h GLU 35 N 0.00 0.31 0.00 0.49 4.39 -0.80 -3.42 114.58 115.55 1ix0 h GLU 35 Ca -0.00 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.28 1ix0 h GLU 35 Cb 1.05 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1ix0 h GLU 35 CO 0.06 1.13 0.00 -1.13 -1.16 0.00 0.00 179.01 177.91 1ix0 n SER 36 N -4.24 0.14 -1.89 1.42 3.41 -0.66 -4.85 113.62 106.96 1ix0 n SER 36 Ca -0.12 -0.63 -0.15 0.00 -0.26 0.00 0.00 58.87 57.71 1ix0 n SER 36 Cb 0.70 0.10 0.01 0.00 -0.26 0.00 0.00 64.21 64.76 1ix0 n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ix0 n GLY 37 N 0.10 -0.21 2.42 5.00 0.00 0.21 -2.14 105.19 110.57 1ix0 n GLY 37 Ca 0.00 -0.22 -0.16 0.00 0.00 0.00 0.00 46.02 45.65 1ix0 n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ix0 n TYR 38 N -4.07 -0.20 -3.35 1.61 0.53 -1.14 -4.80 117.16 105.74 1ix0 n TYR 38 Ca -0.14 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.33 1ix0 n TYR 38 Cb 0.61 -2.89 -0.09 0.00 -1.03 0.00 0.00 39.34 35.95 1ix0 n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1ix0 s ASN 39 N -2.69 6.21 0.57 7.72 2.47 -0.91 -1.63 114.94 126.67 1ix0 s ASN 39 Ca 0.00 -0.28 0.35 0.00 0.42 0.00 0.00 52.86 53.35 1ix0 s ASN 39 Cb 0.00 -2.22 1.63 0.00 -1.45 0.00 0.00 41.25 39.21 1ix0 s ASN 39 CO 0.00 -0.41 2.09 0.71 -3.72 0.00 0.00 177.10 175.77 1ix0 h THR 40 N 5.59 0.13 -0.18 -5.21 1.35 -1.40 -2.52 112.91 110.67 1ix0 h THR 40 Ca -0.29 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 1ix0 h THR 40 Cb 1.13 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 1ix0 h THR 40 CO 0.73 0.04 0.00 0.54 -0.25 0.00 0.00 175.52 176.57 1ix0 n ARG 41 N -3.20 2.09 -1.71 4.72 1.74 -1.26 -4.06 116.66 114.98 1ix0 n ARG 41 Ca -0.01 -1.63 -0.43 0.00 -0.77 0.00 0.00 57.85 55.01 1ix0 n ARG 41 Cb 0.24 -1.46 -0.02 0.00 -1.02 0.00 0.00 32.46 30.20 1ix0 n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ix0 n ALA 42 N 0.89 1.90 -2.94 7.54 0.00 -0.95 -4.77 120.51 122.18 1ix0 n ALA 42 Ca 0.17 0.40 -0.11 0.00 0.00 0.00 0.00 53.44 53.90 1ix0 n ALA 42 Cb 0.48 -2.39 -0.13 0.00 0.00 0.00 0.00 19.45 17.41 1ix0 n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ix0 s THR 43 N 0.21 0.03 -0.10 0.00 -4.23 -1.26 -1.05 115.64 109.23 1ix0 s THR 43 Ca 0.68 -0.24 -0.03 0.00 -1.18 0.00 0.00 61.69 60.92 1ix0 s THR 43 Cb -0.58 -0.13 0.05 0.00 1.34 0.00 0.00 72.50 73.18 1ix0 s THR 43 CO 0.46 -0.13 0.12 0.21 -0.54 0.00 0.00 174.62 174.74 1ix0 s ASN 44 N -0.39 1.27 0.07 3.99 2.47 -0.79 -4.98 114.94 116.58 1ix0 s ASN 44 Ca -0.04 -0.00 -0.24 0.00 0.42 0.00 0.00 52.86 53.00 1ix0 s ASN 44 Cb -0.03 0.05 -0.06 0.00 -1.45 0.00 0.00 41.25 39.76 1ix0 s ASN 44 CO -0.00 -0.28 0.71 -0.47 -3.72 0.00 0.00 177.10 173.34 1ix0 s TYR 45 N 2.23 3.78 -0.61 0.43 6.14 -1.26 -0.94 117.35 127.11 1ix0 s TYR 45 Ca 0.04 1.44 -0.05 0.00 0.64 0.00 0.00 57.07 59.14 1ix0 s TYR 45 Cb -0.13 -2.73 0.16 0.00 0.42 0.00 0.00 41.96 39.68 1ix0 s TYR 45 CO -0.06 0.39 0.45 -0.80 0.64 0.00 0.00 175.55 176.17 1ix0 s ASN 46 N -0.49 5.54 0.34 4.32 0.01 0.30 -4.95 114.94 120.00 1ix0 s ASN 46 Ca 0.35 -2.62 0.09 0.00 -0.71 0.00 0.00 52.86 49.97 1ix0 s ASN 46 Cb -0.21 -1.93 0.83 0.00 0.41 0.00 0.00 41.25 40.36 1ix0 s ASN 46 CO 0.22 -0.46 1.83 0.00 -1.51 0.00 0.00 177.10 177.18 1ix0 h ALA 47 N 7.44 1.84 -0.92 0.60 0.00 -1.96 0.17 119.26 126.43 1ix0 h ALA 47 Ca -0.03 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1ix0 h ALA 47 Cb 0.99 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.61 1ix0 h ALA 47 CO 0.74 -0.15 0.56 0.78 0.00 0.00 0.00 179.25 181.18 1ix0 h GLY 48 N 0.68 1.45 0.00 0.00 0.00 -1.95 -3.14 103.07 100.10 1ix0 h GLY 48 Ca 0.51 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1ix0 h GLY 48 CO -0.27 0.18 0.00 2.09 0.00 0.00 0.00 176.54 178.54 1ix0 n ASP 49 N -4.65 1.54 -2.76 0.19 5.75 -1.05 -5.02 116.55 110.56 1ix0 n ASP 49 Ca 0.16 -1.76 -0.22 0.00 -0.01 0.00 0.00 54.79 52.96 1ix0 n ASP 49 Cb 0.28 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.39 1ix0 n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ix0 n ARG 50 N -0.38 -3.53 -4.09 0.11 1.74 0.55 -4.75 116.66 106.32 1ix0 n ARG 50 Ca 0.00 0.95 -0.23 0.00 -0.77 0.00 0.00 57.85 57.80 1ix0 n ARG 50 Cb 0.29 -5.73 -0.06 0.00 -1.02 0.00 0.00 32.46 25.94 1ix0 n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ix0 s SER 51 N -2.42 4.66 -0.01 0.55 1.04 -1.16 -4.46 113.70 111.89 1ix0 s SER 51 Ca 0.18 -0.81 0.03 0.00 0.48 0.00 0.00 55.95 55.83 1ix0 s SER 51 Cb -0.08 -0.69 -0.01 0.00 0.10 0.00 0.00 66.02 65.35 1ix0 s SER 51 CO 0.22 -0.34 -0.10 -0.89 0.98 0.00 0.00 173.24 173.11 1ix0 s THR 52 N -2.45 0.79 -0.16 2.02 2.01 -1.26 -0.54 115.64 116.05 1ix0 s THR 52 Ca 0.38 -0.42 -0.12 0.00 0.31 0.00 0.00 61.69 61.84 1ix0 s THR 52 Cb -0.02 -0.67 -0.05 0.00 0.01 0.00 0.00 72.50 71.78 1ix0 s THR 52 CO 0.23 0.23 0.25 -1.81 -0.69 0.00 0.00 174.62 172.82 1ix0 s ASP 53 N -0.17 6.39 -0.01 3.53 1.01 -0.11 -0.94 116.67 126.37 1ix0 s ASP 53 Ca 0.03 0.46 0.08 0.00 0.71 0.00 0.00 52.55 53.82 1ix0 s ASP 53 Cb -0.05 -2.16 -0.02 0.00 1.01 0.00 0.00 42.92 41.71 1ix0 s ASP 53 CO -0.00 0.15 -0.24 -0.31 0.21 0.00 0.00 175.17 174.97 1ix0 s TYR 54 N 0.28 2.38 0.00 4.23 2.02 0.51 -1.89 117.35 124.88 1ix0 s TYR 54 Ca 0.15 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.45 1ix0 s TYR 54 Cb -0.13 -1.50 0.00 0.00 -0.40 0.00 0.00 41.96 39.94 1ix0 s TYR 54 CO 0.03 0.02 0.00 0.41 -1.57 0.00 0.00 175.55 174.44 1ix0 n GLY 55 N 2.30 -1.93 0.32 0.71 0.00 -0.22 -1.05 105.19 105.32 1ix0 n GLY 55 Ca -0.16 -1.36 0.14 0.00 0.00 0.00 0.00 46.02 44.63 1ix0 n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ix0 h ILE 56 N -0.02 0.87 -0.31 -0.61 2.10 -1.70 -1.33 117.51 116.51 1ix0 h ILE 56 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1ix0 h ILE 56 Cb 0.02 0.87 0.00 0.00 -1.09 0.00 0.00 36.82 36.62 1ix0 h ILE 56 CO 0.00 0.00 0.00 0.49 -1.08 0.00 0.00 178.15 177.56 1ix0 n PHE 57 N -4.46 0.42 -3.71 2.19 0.99 -1.26 -4.00 117.46 107.63 1ix0 n PHE 57 Ca 0.03 -0.48 -0.31 0.00 -0.00 0.00 0.00 57.45 56.69 1ix0 n PHE 57 Cb 0.34 -0.03 0.03 0.00 -1.00 0.00 0.00 39.48 38.83 1ix0 n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1ix0 n GLN 58 N 0.45 -1.11 -2.35 -1.08 1.13 -0.50 -4.91 117.38 109.01 1ix0 n GLN 58 Ca 0.11 0.50 -0.41 0.00 -1.94 0.00 0.00 57.00 55.25 1ix0 n GLN 58 Cb 0.41 -3.83 -0.03 0.00 0.11 0.00 0.00 30.24 26.89 1ix0 n GLN 58 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ix0 s ALA 59 N -3.40 3.45 -0.07 -1.58 0.00 -0.22 -4.37 121.76 115.58 1ix0 s ALA 59 Ca 0.41 0.95 -0.27 0.00 0.00 0.00 0.00 51.96 53.05 1ix0 s ALA 59 Cb -0.16 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 1ix0 s ALA 59 CO 0.87 -0.43 0.88 1.21 0.00 0.00 0.00 175.76 178.29 1ix0 s ASN 60 N 0.49 7.16 0.30 0.00 3.84 -1.26 -0.37 114.94 125.10 1ix0 s ASN 60 Ca 0.56 1.41 0.24 0.00 0.21 0.00 0.00 52.86 55.27 1ix0 s ASN 60 Cb -0.33 -2.50 1.10 0.00 -0.55 0.00 0.00 41.25 38.97 1ix0 s ASN 60 CO 0.34 -0.28 1.72 0.77 -2.79 0.00 0.00 177.10 176.85 1ix0 h SER 61 N 6.95 0.00 1.16 -4.21 4.64 -1.25 0.13 113.55 120.97 1ix0 h SER 61 Ca -0.37 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.93 1ix0 h SER 61 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1ix0 h SER 61 CO 0.79 0.00 -0.09 -0.09 -0.87 0.00 0.00 176.83 176.57 1ix0 h ARG 62 N 0.00 0.00 0.00 4.77 2.43 -1.81 -3.40 114.38 116.37 1ix0 h ARG 62 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ix0 h ARG 62 Cb 0.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1ix0 h ARG 62 CO 0.00 0.09 -0.20 0.66 -1.51 0.00 0.00 179.97 179.01 1ix0 n TYR 63 N -3.19 0.00 -0.10 2.20 4.02 -0.98 -0.63 117.16 118.49 1ix0 n TYR 63 Ca 0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.78 1ix0 n TYR 63 Cb 0.39 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.57 1ix0 n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1ix0 n TRP 64 N -1.17 0.14 -4.17 -0.72 7.02 0.42 0.69 117.44 119.66 1ix0 n TRP 64 Ca 0.00 0.04 -0.10 0.00 -1.02 0.00 0.00 57.50 56.42 1ix0 n TRP 64 Cb 0.10 -1.02 -0.10 0.00 -2.42 0.00 0.00 31.31 27.87 1ix0 n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ix0 s ASN 66 N -3.07 4.69 0.00 0.00 2.47 0.02 -4.41 114.94 114.64 1ix0 s ASN 66 Ca 0.21 -0.21 0.00 0.00 0.42 0.00 0.00 52.86 53.28 1ix0 s ASN 66 Cb 0.07 -1.79 0.00 0.00 -1.45 0.00 0.00 41.25 38.09 1ix0 s ASN 66 CO 0.01 0.09 0.62 -0.90 -3.72 0.00 0.00 177.10 173.20 1ix0 n ASP 67 N 4.05 1.23 0.00 -4.21 5.75 -1.26 -1.24 116.55 120.87 1ix0 n ASP 67 Ca -0.17 -1.27 0.00 0.00 -0.01 0.00 0.00 54.79 53.34 1ix0 n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 1ix0 n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ix0 n GLY 68 N -0.13 1.85 1.11 6.12 0.00 -1.26 -4.74 105.19 108.13 1ix0 n GLY 68 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1ix0 n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ix0 n LYS 69 N -0.97 2.46 -3.35 1.61 2.85 -1.26 -4.91 118.16 114.59 1ix0 n LYS 69 Ca 0.00 -2.26 -0.39 0.00 -1.05 0.00 0.00 58.31 54.60 1ix0 n LYS 69 Cb 0.00 -1.49 -0.09 0.00 -0.65 0.00 0.00 35.03 32.80 1ix0 n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1ix0 s THR 70 N -1.38 5.15 0.57 0.58 2.01 -1.26 -4.97 115.64 116.34 1ix0 s THR 70 Ca 0.37 0.65 -0.21 0.00 0.31 0.00 0.00 61.69 62.82 1ix0 s THR 70 Cb 0.22 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 1ix0 s THR 70 CO 0.30 0.14 1.31 -2.65 -0.69 0.00 0.00 174.62 173.03 1ix0 n PRO 71 N 5.36 1.50 -4.13 4.92 -0.02 -1.26 -3.11 135.00 138.26 1ix0 n PRO 71 Ca -0.07 0.56 -0.33 0.00 -2.02 0.00 0.00 63.50 61.63 1ix0 n PRO 71 Cb 0.50 -2.53 -0.08 0.00 -0.02 0.00 0.00 33.50 31.38 1ix0 n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ix0 n GLY 72 N 0.84 -0.25 3.91 -1.23 0.00 -1.26 -4.89 105.19 102.31 1ix0 n GLY 72 Ca 0.12 0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 1ix0 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ix0 s ALA 73 N -3.46 3.68 0.29 4.61 0.00 -1.18 -4.97 121.76 120.72 1ix0 s ALA 73 Ca 0.44 -0.61 0.08 0.00 0.00 0.00 0.00 51.96 51.86 1ix0 s ALA 73 Cb -0.26 -2.23 -0.06 0.00 0.00 0.00 0.00 23.12 20.58 1ix0 s ALA 73 CO 0.89 0.31 -0.08 0.08 0.00 0.00 0.00 175.76 176.96 1ix0 s VAL 74 N -2.01 1.83 -0.52 0.00 1.01 0.20 -4.99 120.40 115.92 1ix0 s VAL 74 Ca 0.43 -2.16 0.07 0.00 0.00 0.00 0.00 61.98 60.32 1ix0 s VAL 74 Cb -0.11 -2.48 0.27 0.00 0.00 0.00 0.00 36.38 34.06 1ix0 s VAL 74 CO 0.29 -0.29 0.69 -3.20 0.00 0.00 0.00 175.10 172.60 1ix0 n ASN 75 N -0.63 2.36 -0.02 3.32 5.15 -1.24 -3.32 115.26 120.88 1ix0 n ASN 75 Ca -0.05 -3.18 0.10 0.00 -0.60 0.00 0.00 54.58 50.85 1ix0 n ASN 75 Cb 0.63 -0.64 0.51 0.00 -0.53 0.00 0.00 39.78 39.75 1ix0 n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ix0 h ALA 76 N 3.88 1.96 -0.01 5.20 0.00 0.13 0.12 119.26 130.54 1ix0 h ALA 76 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ix0 h ALA 76 Cb 0.74 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1ix0 h ALA 76 CO 0.68 -0.05 -0.14 0.00 0.00 0.00 0.00 179.25 179.74 1ix0 n ALA 77 N -2.52 2.84 -3.75 0.00 0.00 -0.65 -4.98 120.51 111.45 1ix0 n ALA 77 Ca 0.06 -0.45 -0.30 0.00 0.00 0.00 0.00 53.44 52.75 1ix0 n ALA 77 Cb 0.27 -1.11 0.03 0.00 0.00 0.00 0.00 19.45 18.64 1ix0 n ALA 77 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ix0 n HIS 78 N -0.13 -1.84 -3.97 0.00 -0.00 0.03 -4.94 115.22 104.37 1ix0 n HIS 78 Ca 0.15 0.53 -0.09 0.00 -0.00 0.00 0.00 57.72 58.31 1ix0 n HIS 78 Cb 0.37 -3.55 -0.10 0.00 -0.00 0.00 0.00 29.99 26.72 1ix0 n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1ix0 s LEU 79 N -6.62 2.04 0.27 2.41 1.43 -1.26 -5.06 118.68 111.89 1ix0 s LEU 79 Ca 0.34 -0.64 -0.29 0.00 -1.03 0.00 0.00 54.13 52.52 1ix0 s LEU 79 Cb -0.12 0.42 -0.09 0.00 0.03 0.00 0.00 46.19 46.42 1ix0 s LEU 79 CO 0.87 -0.49 0.95 -0.55 0.23 0.00 0.00 176.35 177.36 1ix0 s SER 80 N -2.19 7.51 0.63 2.29 0.15 -1.26 -0.80 113.70 120.03 1ix0 s SER 80 Ca -0.04 1.94 0.39 0.00 0.70 0.00 0.00 55.95 58.93 1ix0 s SER 80 Cb -0.01 -2.60 2.15 0.00 -1.71 0.00 0.00 66.02 63.85 1ix0 s SER 80 CO -0.05 0.05 2.31 0.00 1.20 0.00 0.00 173.24 176.75 1ix0 h SER 82 N 0.00 0.71 0.23 0.00 0.87 -1.91 -0.89 113.55 112.55 1ix0 h SER 82 Ca -0.00 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1ix0 h SER 82 Cb 0.04 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.83 1ix0 h SER 82 CO 0.00 0.50 -0.01 0.00 -0.53 0.00 0.00 176.83 176.79 1ix0 h ALA 83 N 1.61 1.06 -0.47 6.23 0.00 -1.43 -1.24 119.26 125.02 1ix0 h ALA 83 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1ix0 h ALA 83 Cb -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ix0 h ALA 83 CO -0.06 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.48 1ix0 n LEU 84 N -3.19 3.16 -0.03 0.00 4.77 -0.34 -3.83 117.00 117.55 1ix0 n LEU 84 Ca -0.02 -1.59 0.03 0.00 -0.03 0.00 0.00 56.01 54.39 1ix0 n LEU 84 Cb 0.13 -0.43 0.04 0.00 -2.33 0.00 0.00 43.42 40.83 1ix0 n LEU 84 CO 0.23 0.63 0.50 0.18 -1.33 0.00 0.00 177.39 177.60 1ix0 n LEU 85 N 0.82 1.98 -4.89 2.23 4.77 -0.47 -3.01 117.00 118.44 1ix0 n LEU 85 Ca 0.18 -2.20 -0.29 0.00 -0.03 0.00 0.00 56.01 53.66 1ix0 n LEU 85 Cb 0.57 -0.11 0.01 0.00 -2.33 0.00 0.00 43.42 41.55 1ix0 n LEU 85 CO 0.15 0.53 0.61 -1.10 -1.33 0.00 0.00 177.39 176.25 1ix0 s GLN 86 N -1.45 3.55 0.24 3.23 -0.21 -1.25 -4.57 119.66 119.19 1ix0 s GLN 86 Ca 0.09 0.51 0.02 0.00 0.02 0.00 0.00 55.36 56.00 1ix0 s GLN 86 Cb 0.07 -2.20 0.27 0.00 1.00 0.00 0.00 33.01 32.15 1ix0 s GLN 86 CO 0.01 -0.44 1.59 -0.44 -2.12 0.00 0.00 175.29 173.89 1ix0 h ASP 87 N -0.11 0.39 -3.24 5.90 5.19 -1.94 -3.40 116.42 119.21 1ix0 h ASP 87 Ca -0.45 -0.20 -0.57 0.00 -0.62 0.00 0.00 57.03 55.19 1ix0 h ASP 87 Cb 1.20 -0.11 -0.06 0.00 0.18 0.00 0.00 39.33 40.53 1ix0 h ASP 87 CO 0.62 0.83 0.83 0.21 -3.12 0.00 0.00 179.24 178.62 1ix0 s ASN 88 N -6.89 6.98 -0.05 6.45 3.84 -1.26 -4.92 114.94 119.09 1ix0 s ASN 88 Ca -0.05 1.15 0.10 0.00 0.21 0.00 0.00 52.86 54.27 1ix0 s ASN 88 Cb 0.12 -2.54 0.38 0.00 -0.55 0.00 0.00 41.25 38.66 1ix0 s ASN 88 CO 0.80 -0.82 1.23 2.30 -2.79 0.00 0.00 177.10 177.83 1ix0 n ILE 89 N 5.71 0.88 -0.15 -5.21 -5.35 -1.26 -4.48 119.36 109.51 1ix0 n ILE 89 Ca 0.12 -0.60 -0.03 0.00 -0.27 0.00 0.00 62.75 61.96 1ix0 n ILE 89 Cb 0.47 0.01 0.06 0.00 -1.74 0.00 0.00 39.64 38.43 1ix0 n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ix0 h ALA 90 N 3.45 0.58 -0.28 -1.28 0.00 -1.94 -0.07 119.26 119.72 1ix0 h ALA 90 Ca 0.00 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1ix0 h ALA 90 Cb 0.82 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1ix0 h ALA 90 CO 0.10 -0.23 -0.36 -0.44 0.00 0.00 0.00 179.25 178.33 1ix0 h ASP 91 N 0.34 0.66 -0.47 0.00 3.45 -1.85 -1.33 116.42 117.23 1ix0 h ASP 91 Ca 0.23 -0.28 -0.06 0.00 0.43 0.00 0.00 57.03 57.35 1ix0 h ASP 91 Cb 0.24 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 38.80 1ix0 h ASP 91 CO -0.24 0.96 0.07 0.00 -1.57 0.00 0.00 179.24 178.46 1ix0 h ALA 92 N 1.08 1.13 -0.43 3.45 0.00 -1.68 -1.00 119.26 121.81 1ix0 h ALA 92 Ca 0.05 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1ix0 h ALA 92 Cb 0.86 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1ix0 h ALA 92 CO 0.07 0.57 -0.08 0.28 0.00 0.00 0.00 179.25 180.10 1ix0 h VAL 93 N 0.80 1.27 -0.75 0.00 2.07 -0.77 -0.41 116.25 118.46 1ix0 h VAL 93 Ca 0.17 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.49 1ix0 h VAL 93 Cb 0.38 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 1ix0 h VAL 93 CO 0.01 0.40 0.38 0.00 0.02 0.00 0.00 177.57 178.37 1ix0 h ALA 94 N 0.87 1.25 -0.44 1.67 0.00 -0.87 0.37 119.26 122.11 1ix0 h ALA 94 Ca 0.11 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1ix0 h ALA 94 Cb 0.60 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1ix0 h ALA 94 CO 0.04 0.59 -0.22 0.00 0.00 0.00 0.00 179.25 179.65 1ix0 h ALA 95 N 1.35 0.61 -0.53 0.00 0.00 -0.97 -1.28 119.26 118.44 1ix0 h ALA 95 Ca 0.26 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1ix0 h ALA 95 Cb 0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1ix0 h ALA 95 CO -0.04 0.60 0.13 0.00 0.00 0.00 0.00 179.25 179.94 1ix0 h ALA 96 N 0.83 1.22 -0.60 0.00 0.00 -0.46 -1.48 119.26 118.78 1ix0 h ALA 96 Ca 0.10 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1ix0 h ALA 96 Cb 0.79 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1ix0 h ALA 96 CO 0.07 0.54 0.01 0.87 0.00 0.00 0.00 179.25 180.73 1ix0 h LYS 97 N 0.78 1.05 -0.45 0.00 1.57 -0.75 -2.61 116.57 116.17 1ix0 h LYS 97 Ca 0.17 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 1ix0 h LYS 97 Cb 0.29 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1ix0 h LYS 97 CO -0.00 1.03 0.23 -0.09 -0.57 0.00 0.00 179.45 180.05 1ix0 h ARG 98 N 0.95 0.65 -0.33 3.15 9.65 -0.83 -2.56 114.38 125.05 1ix0 h ARG 98 Ca 0.17 -0.09 0.05 0.00 -1.10 0.00 0.00 59.98 59.01 1ix0 h ARG 98 Cb 0.55 -0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 28.97 1ix0 h ARG 98 CO 0.03 0.54 0.06 0.28 2.80 0.00 0.00 179.97 183.68 1ix0 h VAL 99 N 0.59 0.83 0.00 0.20 2.07 -1.08 -2.46 116.25 116.41 1ix0 h VAL 99 Ca 0.16 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1ix0 h VAL 99 Cb 0.09 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1ix0 h VAL 99 CO -0.02 0.03 0.00 1.33 0.02 0.00 0.00 177.57 178.93 1ix0 n VAL 100 N -5.09 0.49 0.78 2.57 0.24 -1.00 -2.14 118.33 114.17 1ix0 n VAL 100 Ca 0.01 0.12 0.11 0.00 -2.04 0.00 0.00 64.34 62.54 1ix0 n VAL 100 Cb 0.15 -0.78 0.48 0.00 -1.47 0.00 0.00 33.84 32.22 1ix0 n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1ix0 n ARG 101 N -1.39 0.02 -2.16 7.34 1.74 -0.93 -4.28 116.66 117.00 1ix0 n ARG 101 Ca 0.07 0.11 -0.30 0.00 -0.77 0.00 0.00 57.85 56.97 1ix0 n ARG 101 Cb 0.20 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 1ix0 n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ix0 s ASP 102 N -2.98 6.28 0.31 0.55 -0.00 -0.91 -4.99 116.67 114.94 1ix0 s ASP 102 Ca 0.11 1.28 0.07 0.00 -0.00 0.00 0.00 52.55 54.02 1ix0 s ASP 102 Cb 0.15 -2.41 0.82 0.00 -0.00 0.00 0.00 42.92 41.48 1ix0 s ASP 102 CO 0.40 -0.75 1.74 1.55 -0.00 0.00 0.00 175.17 178.12 1ix0 h PRO 103 N -0.01 0.59 0.00 8.23 0.13 -1.88 -1.35 132.00 137.73 1ix0 h PRO 103 Ca -0.45 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1ix0 h PRO 103 Cb 1.19 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1ix0 h PRO 103 CO 0.62 0.39 -0.05 1.96 -0.23 0.00 0.00 178.00 180.69 1ix0 h GLN 104 N 0.61 0.00 0.00 0.86 4.20 -1.90 -3.48 115.11 115.40 1ix0 h GLN 104 Ca 0.61 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.32 1ix0 h GLN 104 Cb 1.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.88 1ix0 h GLN 104 CO -0.45 0.05 0.00 0.41 -0.67 0.00 0.00 178.83 178.17 1ix0 n GLY 105 N -1.03 2.48 0.25 3.46 0.00 -0.51 -1.75 105.19 108.10 1ix0 n GLY 105 Ca -0.02 -0.45 0.17 0.00 0.00 0.00 0.00 46.02 45.72 1ix0 n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ix0 h ILE 106 N 0.00 0.00 0.00 -0.61 6.09 -1.90 -2.57 117.51 118.52 1ix0 h ILE 106 Ca 0.00 -0.03 0.00 0.00 -1.37 0.00 0.00 64.86 63.46 1ix0 h ILE 106 Cb 0.00 0.80 0.00 0.00 0.47 0.00 0.00 36.82 38.09 1ix0 h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1ix0 n ARG 107 N -2.70 0.06 0.22 2.19 1.74 -0.72 -2.85 116.66 114.59 1ix0 n ARG 107 Ca -0.02 0.23 0.09 0.00 -0.77 0.00 0.00 57.85 57.39 1ix0 n ARG 107 Cb 0.07 -1.50 0.64 0.00 -1.02 0.00 0.00 32.46 30.65 1ix0 n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ix0 h ALA 108 N 2.53 2.05 -2.32 7.54 0.00 -1.61 -3.37 119.26 124.07 1ix0 h ALA 108 Ca 0.00 -0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 1ix0 h ALA 108 Cb 0.21 -0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.85 1ix0 h ALA 108 CO 0.00 -0.07 0.05 -1.58 0.00 0.00 0.00 179.25 177.65 1ix0 s TRP 109 N -5.08 3.14 0.34 0.00 0.51 -1.13 -4.93 118.94 111.77 1ix0 s TRP 109 Ca -0.05 0.12 0.01 0.00 -2.12 0.00 0.00 56.10 54.06 1ix0 s TRP 109 Cb 0.17 -3.11 0.58 0.00 -0.81 0.00 0.00 33.47 30.30 1ix0 s TRP 109 CO 0.68 -0.67 1.99 0.28 -0.51 0.00 0.00 176.95 178.72 1ix0 h VAL 110 N 5.72 1.18 -0.10 4.03 2.07 -1.89 -0.50 116.25 126.76 1ix0 h VAL 110 Ca -0.27 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 66.94 1ix0 h VAL 110 Cb 1.11 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1ix0 h VAL 110 CO 0.83 0.18 0.08 0.00 0.02 0.00 0.00 177.57 178.68 1ix0 h ALA 111 N 1.57 1.87 -0.31 1.67 0.00 -1.93 -0.67 119.26 121.46 1ix0 h ALA 111 Ca 0.24 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 1ix0 h ALA 111 Cb -0.08 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1ix0 h ALA 111 CO -0.05 -0.13 -0.14 2.35 0.00 0.00 0.00 179.25 181.27 1ix0 h TRP 112 N 0.00 0.74 -0.66 0.00 7.01 -1.40 -1.19 115.95 120.45 1ix0 h TRP 112 Ca 0.05 -0.18 -0.01 0.00 2.11 0.00 0.00 58.89 60.85 1ix0 h TRP 112 Cb 0.21 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.07 1ix0 h TRP 112 CO 0.00 0.86 0.36 0.00 -2.79 0.00 0.00 178.44 176.87 1ix0 h ARG 113 N 0.40 0.92 -0.25 2.65 -0.00 -1.12 0.10 114.38 117.08 1ix0 h ARG 113 Ca 0.07 -0.11 -0.15 0.00 -0.50 0.00 0.00 59.98 59.29 1ix0 h ARG 113 Cb 0.67 -0.18 -0.01 0.00 0.00 0.00 0.00 29.97 30.45 1ix0 h ARG 113 CO 0.04 0.70 -0.45 -0.91 0.00 0.00 0.00 179.97 179.35 1ix0 h ASN 114 N 0.90 0.68 0.00 7.04 2.35 -1.29 -3.36 115.58 121.91 1ix0 h ASN 114 Ca 0.23 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1ix0 h ASN 114 Cb 0.04 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.22 1ix0 h ASN 114 CO -0.04 1.03 -0.12 -2.11 -1.65 0.00 0.00 177.43 174.55 1ix0 n ARG 115 N -4.01 1.03 0.00 0.81 1.85 -0.46 -4.86 116.66 111.02 1ix0 n ARG 115 Ca -0.02 -1.28 0.00 0.00 -1.00 0.00 0.00 57.85 55.55 1ix0 n ARG 115 Cb 0.55 -0.82 0.00 0.00 -1.05 0.00 0.00 32.46 31.14 1ix0 n ARG 115 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ix0 n GLN 117 N -1.52 2.77 -3.21 0.00 7.27 -0.17 -2.50 117.38 120.01 1ix0 n GLN 117 Ca 0.00 1.00 -0.23 0.00 0.07 0.00 0.00 57.00 57.84 1ix0 n GLN 117 Cb 0.13 -2.87 0.04 0.00 2.41 0.00 0.00 30.24 29.95 1ix0 n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1ix0 n ASN 118 N 4.79 -5.84 -4.51 1.69 5.03 -1.26 -4.97 115.26 110.20 1ix0 n ASN 118 Ca 0.17 -0.37 -0.24 0.00 0.87 0.00 0.00 54.58 55.01 1ix0 n ASN 118 Cb 0.36 -4.70 -0.11 0.00 -1.02 0.00 0.00 39.78 34.31 1ix0 n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1ix0 s ARG 119 N -5.90 1.74 -0.65 3.52 0.52 -1.04 -5.08 118.95 112.05 1ix0 s ARG 119 Ca 0.39 -1.91 -0.24 0.00 -0.52 0.00 0.00 55.73 53.44 1ix0 s ARG 119 Cb -0.18 -1.45 0.05 0.00 0.52 0.00 0.00 34.95 33.90 1ix0 s ARG 119 CO 0.48 0.05 1.05 0.34 0.02 0.00 0.00 175.30 177.24 1ix0 s ASP 120 N -3.56 6.22 -0.03 0.23 -1.08 -1.26 -4.85 116.67 112.34 1ix0 s ASP 120 Ca 0.32 -0.66 0.20 0.00 -0.52 0.00 0.00 52.55 51.89 1ix0 s ASP 120 Cb 0.04 -2.47 0.63 0.00 -1.46 0.00 0.00 42.92 39.66 1ix0 s ASP 120 CO 0.15 -1.51 1.53 1.33 0.52 0.00 0.00 175.17 177.19 1ix0 n VAL 121 N 6.14 1.23 -0.25 1.11 0.24 -1.26 -4.54 118.33 121.00 1ix0 n VAL 121 Ca -0.00 -1.07 0.10 0.00 -2.04 0.00 0.00 64.34 61.33 1ix0 n VAL 121 Cb 0.47 0.39 0.37 0.00 -1.47 0.00 0.00 33.84 33.60 1ix0 n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1ix0 h ARG 122 N 3.94 0.70 -0.02 7.34 3.08 -1.93 -1.86 114.38 125.63 1ix0 h ARG 122 Ca 0.00 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.01 1ix0 h ARG 122 Cb 1.09 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.98 1ix0 h ARG 122 CO 0.06 0.47 0.13 -0.56 -1.07 0.00 0.00 179.97 179.00 1ix0 h GLN 123 N 0.72 0.00 0.00 0.04 3.07 -1.97 -1.58 115.11 115.40 1ix0 h GLN 123 Ca 0.41 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 59.03 1ix0 h GLN 123 Cb 0.57 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.11 1ix0 h GLN 123 CO -0.17 0.00 -0.57 1.88 0.09 0.00 0.00 178.83 180.06 1ix0 h TYR 124 N 0.00 0.00 -0.01 0.06 0.05 -1.67 -3.32 116.97 112.08 1ix0 h TYR 124 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1ix0 h TYR 124 Cb 0.27 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.01 1ix0 h TYR 124 CO 0.00 0.57 -0.05 1.33 -1.05 0.00 0.00 178.16 178.96 1ix0 n VAL 125 N -3.52 0.00 -1.72 -2.88 0.24 -0.67 -4.80 118.33 104.98 1ix0 n VAL 125 Ca -0.00 -0.48 -0.42 0.00 -2.04 0.00 0.00 64.34 61.40 1ix0 n VAL 125 Cb 0.65 1.09 -0.03 0.00 -1.47 0.00 0.00 33.84 34.09 1ix0 n VAL 125 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1ix0 s GLN 126 N -0.69 4.13 0.00 7.34 2.00 -0.74 -2.18 119.66 129.53 1ix0 s GLN 126 Ca 0.06 2.60 0.00 0.00 -2.00 0.00 0.00 55.36 56.02 1ix0 s GLN 126 Cb 0.05 -3.42 0.00 0.00 0.80 0.00 0.00 33.01 30.44 1ix0 s GLN 126 CO 0.10 -0.81 0.00 0.41 -0.50 0.00 0.00 175.29 174.49 1ix0 n GLY 127 N 4.15 0.86 0.19 2.59 0.00 -1.26 -4.91 105.19 106.82 1ix0 n GLY 127 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 1ix0 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ix0 n GLY 129 N 1.33 0.09 0.13 0.00 0.00 -1.26 -4.82 105.19 100.66 1ix0 n GLY 129 Ca 0.12 -0.51 0.02 0.00 0.00 0.00 0.00 46.02 45.65 1ix0 n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65