#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ul7 n SER 2 N 0.00 0.50 -3.97 1.61 3.41 -1.26 -4.98 113.62 108.93 1ul7 n SER 2 Ca 0.00 -0.75 -0.22 0.00 -0.26 0.00 0.00 58.87 57.64 1ul7 n SER 2 Cb 0.00 0.85 -0.16 0.00 -0.26 0.00 0.00 64.21 64.64 1ul7 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ul7 s SER 3 N -1.45 1.34 -0.86 4.04 0.01 -1.26 -5.09 113.70 110.43 1ul7 s SER 3 Ca 0.03 -0.21 -0.02 0.00 1.31 0.00 0.00 55.95 57.06 1ul7 s SER 3 Cb 0.05 -0.59 0.21 0.00 0.21 0.00 0.00 66.02 65.90 1ul7 s SER 3 CO 0.24 0.01 0.74 -0.83 0.41 0.00 0.00 173.24 173.80 1ul7 s GLY 4 N 0.67 3.00 -0.00 3.44 0.00 -1.26 -4.92 107.32 108.25 1ul7 s GLY 4 Ca -0.12 -3.76 -0.13 0.00 0.00 0.00 0.00 44.72 40.71 1ul7 s GLY 4 CO 0.02 1.18 0.81 1.76 0.00 0.00 0.00 173.10 176.87 1ul7 h SER 5 N 6.16 -0.40 -2.37 1.64 0.02 -2.04 -3.47 113.55 113.10 1ul7 h SER 5 Ca 0.14 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.16 1ul7 h SER 5 Cb 0.83 0.10 -0.21 0.00 0.14 0.00 0.00 62.40 63.27 1ul7 h SER 5 CO 0.83 -0.18 -0.01 -0.55 -1.14 0.00 0.00 176.83 175.79 1ul7 s SER 6 N -3.64 -0.99 0.34 3.07 0.15 -1.26 -5.18 113.70 106.19 1ul7 s SER 6 Ca -0.07 1.45 0.04 0.00 0.70 0.00 0.00 55.95 58.07 1ul7 s SER 6 Cb 0.01 1.82 -0.01 0.00 -1.71 0.00 0.00 66.02 66.12 1ul7 s SER 6 CO 0.21 -0.21 0.13 0.61 1.20 0.00 0.00 173.24 175.17 1ul7 n GLY 7 N 4.85 3.36 3.79 9.45 0.00 -1.26 -5.14 105.19 120.23 1ul7 n GLY 7 Ca -0.15 -2.07 -0.36 0.00 0.00 0.00 0.00 46.02 43.44 1ul7 n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ul7 s ARG 8 N -3.30 3.97 -0.06 1.61 0.52 -1.26 -5.03 118.95 115.40 1ul7 s ARG 8 Ca 0.18 1.49 -0.16 0.00 -0.52 0.00 0.00 55.73 56.72 1ul7 s ARG 8 Cb 0.01 -2.35 -0.05 0.00 0.52 0.00 0.00 34.95 33.08 1ul7 s ARG 8 CO 0.13 -0.31 0.42 -0.06 0.02 0.00 0.00 175.30 175.50 1ul7 s PHE 9 N -1.77 3.62 0.38 -0.53 0.40 -1.26 -5.08 117.98 113.75 1ul7 s PHE 9 Ca 0.62 0.91 0.04 0.00 -0.60 0.00 0.00 56.93 57.90 1ul7 s PHE 9 Cb -0.21 -2.38 -0.03 0.00 0.51 0.00 0.00 43.02 40.91 1ul7 s PHE 9 CO 0.25 0.44 0.11 0.95 0.70 0.00 0.00 175.22 177.67 1ul7 s THR 10 N -0.32 0.74 -0.95 0.64 -4.23 -1.26 -5.06 115.64 105.19 1ul7 s THR 10 Ca 0.23 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.73 1ul7 s THR 10 Cb -0.16 -2.47 0.33 0.00 1.34 0.00 0.00 72.50 71.55 1ul7 s THR 10 CO 0.11 0.00 1.84 0.79 -0.54 0.00 0.00 174.62 176.83 1ul7 n TRP 11 N -0.84 2.89 -2.49 3.99 7.02 -1.26 -5.01 117.44 121.74 1ul7 n TRP 11 Ca -0.05 -2.55 -0.32 0.00 -1.02 0.00 0.00 57.50 53.56 1ul7 n TRP 11 Cb 0.65 -1.15 -0.03 0.00 -2.42 0.00 0.00 31.31 28.36 1ul7 n TRP 11 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1ul7 s SER 12 N -1.38 6.57 -0.17 -0.99 1.04 -1.26 -4.92 113.70 112.60 1ul7 s SER 12 Ca 0.43 1.44 -0.30 0.00 0.48 0.00 0.00 55.95 58.00 1ul7 s SER 12 Cb 0.27 -2.46 0.14 0.00 0.10 0.00 0.00 66.02 64.07 1ul7 s SER 12 CO -0.22 -0.55 1.07 -0.32 0.98 0.00 0.00 173.24 174.20 1ul7 s MET 13 N -4.07 0.49 -0.18 4.02 0.00 -1.26 -5.02 119.30 113.28 1ul7 s MET 13 Ca 0.57 0.05 -0.15 0.00 0.00 0.00 0.00 55.69 56.15 1ul7 s MET 13 Cb -0.10 0.23 -0.07 0.00 0.00 0.00 0.00 34.83 34.89 1ul7 s MET 13 CO 0.33 -0.17 -0.32 1.63 0.00 0.00 0.00 175.02 176.49 1ul7 n LYS 14 N 0.52 0.49 -1.65 4.11 4.76 -1.26 -4.94 118.16 120.19 1ul7 n LYS 14 Ca -0.07 0.20 -0.47 0.00 -2.87 0.00 0.00 58.31 55.09 1ul7 n LYS 14 Cb 0.58 -1.35 -0.05 0.00 -1.84 0.00 0.00 35.03 32.38 1ul7 n LYS 14 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1ul7 n THR 15 N -4.31 0.54 -4.38 -0.18 -1.04 -1.26 -4.96 114.28 98.68 1ul7 n THR 15 Ca -0.21 -0.16 -0.22 0.00 -2.04 0.00 0.00 64.05 61.41 1ul7 n THR 15 Cb 0.56 -1.97 -0.13 0.00 -1.82 0.00 0.00 70.33 66.96 1ul7 n THR 15 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1ul7 s THR 16 N 4.93 1.42 -0.14 12.58 -4.23 -1.26 -4.31 115.64 124.62 1ul7 s THR 16 Ca 0.95 -1.25 -0.01 0.00 -1.18 0.00 0.00 61.69 60.21 1ul7 s THR 16 Cb -0.65 -1.28 0.04 0.00 1.34 0.00 0.00 72.50 71.95 1ul7 s THR 16 CO 0.49 0.00 -0.05 -0.55 -0.54 0.00 0.00 174.62 173.97 1ul7 s SER 17 N -1.45 2.54 -1.20 3.99 0.15 -1.04 -5.01 113.70 111.67 1ul7 s SER 17 Ca 0.04 -0.52 -0.10 0.00 0.70 0.00 0.00 55.95 56.07 1ul7 s SER 17 Cb -0.09 -0.84 0.21 0.00 -1.71 0.00 0.00 66.02 63.59 1ul7 s SER 17 CO 0.02 -0.17 1.56 -0.24 1.20 0.00 0.00 173.24 175.61 1ul7 n SER 18 N 4.93 5.41 -3.11 5.45 2.88 -1.26 -3.00 113.62 124.92 1ul7 n SER 18 Ca -0.12 -3.11 -0.07 0.00 -1.33 0.00 0.00 58.87 54.25 1ul7 n SER 18 Cb 0.49 -1.46 0.02 0.00 -0.75 0.00 0.00 64.21 62.50 1ul7 n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ul7 s MET 19 N 0.04 1.94 0.39 -1.46 0.23 -1.26 -5.07 119.30 114.10 1ul7 s MET 19 Ca 0.38 -1.24 -0.27 0.00 -1.03 0.00 0.00 55.69 53.53 1ul7 s MET 19 Cb 0.02 0.55 -0.10 0.00 -1.53 0.00 0.00 34.83 33.77 1ul7 s MET 19 CO 0.01 -0.91 1.40 -0.51 -2.03 0.00 0.00 175.02 172.98 1ul7 s ASP 20 N -3.16 6.34 0.40 -1.18 1.01 -1.26 -4.81 116.67 114.02 1ul7 s ASP 20 Ca 0.17 2.87 0.19 0.00 0.71 0.00 0.00 52.55 56.49 1ul7 s ASP 20 Cb -0.04 -2.66 0.83 0.00 1.01 0.00 0.00 42.92 42.06 1ul7 s ASP 20 CO 0.09 -0.85 1.81 1.55 0.21 0.00 0.00 175.17 177.99 1ul7 h PRO 21 N 2.89 0.00 0.00 8.23 0.13 -1.97 -2.87 132.00 138.41 1ul7 h PRO 21 Ca -0.50 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 1ul7 h PRO 21 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1ul7 h PRO 21 CO 0.64 0.33 -0.11 0.66 -0.23 0.00 0.00 178.00 179.29 1ul7 h SER 22 N 0.00 0.00 1.52 1.44 4.64 -2.01 -1.19 113.55 117.96 1ul7 h SER 22 Ca -0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.25 1ul7 h SER 22 Cb 0.74 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.82 1ul7 h SER 22 CO 0.04 0.11 -0.49 0.44 -0.87 0.00 0.00 176.83 176.06 1ul7 h ASP 23 N 0.00 0.00 0.07 4.97 3.32 -1.90 -3.29 116.42 119.60 1ul7 h ASP 23 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ul7 h ASP 23 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1ul7 h ASP 23 CO 0.01 0.28 -0.04 0.24 -1.72 0.00 0.00 179.24 178.02 1ul7 h MET 24 N 0.00 -0.10 -1.08 3.56 2.86 -1.29 -3.21 114.93 115.68 1ul7 h MET 24 Ca -0.02 0.01 0.29 0.00 -2.06 0.00 0.00 59.70 57.92 1ul7 h MET 24 Cb 1.23 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 32.84 1ul7 h MET 24 CO 0.03 0.35 0.73 0.52 1.06 0.00 0.00 176.91 179.60 1ul7 h MET 25 N -0.96 0.24 0.83 1.72 2.86 -1.54 0.89 114.93 118.97 1ul7 h MET 25 Ca -0.01 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.57 1ul7 h MET 25 Cb 0.49 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 32.11 1ul7 h MET 25 CO 0.02 0.16 -0.40 0.00 1.06 0.00 0.00 176.91 177.75 1ul7 h ARG 26 N 0.25 -1.07 -0.65 1.72 3.08 -1.63 -2.19 114.38 113.88 1ul7 h ARG 26 Ca 0.58 0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.72 1ul7 h ARG 26 Cb 1.77 0.24 -0.04 0.00 0.08 0.00 0.00 29.97 32.03 1ul7 h ARG 26 CO -0.20 -0.71 0.42 1.05 -1.07 0.00 0.00 179.97 179.46 1ul7 h GLU 27 N -1.26 0.82 -0.76 0.04 4.11 -1.26 -1.65 114.58 114.61 1ul7 h GLU 27 Ca -0.11 -0.05 0.15 0.00 0.07 0.00 0.00 59.36 59.42 1ul7 h GLU 27 Cb 0.86 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.88 1ul7 h GLU 27 CO 0.19 0.54 0.51 0.82 0.07 0.00 0.00 179.01 181.14 1ul7 h ILE 28 N 0.85 0.78 0.00 -1.06 2.04 -0.86 0.32 117.51 119.58 1ul7 h ILE 28 Ca 0.25 -0.13 -0.20 0.00 1.00 0.00 0.00 64.86 65.78 1ul7 h ILE 28 Cb -0.05 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.35 1ul7 h ILE 28 CO -0.07 0.07 -0.94 0.03 0.00 0.00 0.00 178.15 177.23 1ul7 h ARG 29 N 0.39 0.00 0.16 2.37 3.08 -0.67 -3.12 114.38 116.59 1ul7 h ARG 29 Ca 0.37 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.42 1ul7 h ARG 29 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.95 1ul7 h ARG 29 CO -0.12 0.91 -0.08 -0.22 -1.07 0.00 0.00 179.97 179.40 1ul7 h LYS 30 N 0.00 -0.21 -0.57 0.04 3.64 0.02 -3.09 116.57 116.40 1ul7 h LYS 30 Ca -0.02 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.49 1ul7 h LYS 30 Cb 1.72 0.05 -0.11 0.00 -0.41 0.00 0.00 32.23 33.47 1ul7 h LYS 30 CO 0.12 -0.14 -0.23 0.28 -2.27 0.00 0.00 179.45 177.21 1ul7 h VAL 31 N -1.05 0.30 0.05 2.00 2.07 -0.65 -1.87 116.25 117.10 1ul7 h VAL 31 Ca -0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.50 1ul7 h VAL 31 Cb 0.17 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1ul7 h VAL 31 CO 0.04 0.00 -0.27 -0.07 0.02 0.00 0.00 177.57 177.29 1ul7 h LEU 32 N -0.09 -0.80 -1.09 2.57 3.38 -1.69 -1.51 115.31 116.09 1ul7 h LEU 32 Ca 0.26 0.09 0.36 0.00 0.09 0.00 0.00 57.88 58.68 1ul7 h LEU 32 Cb 0.49 0.30 -0.15 0.00 0.09 0.00 0.00 40.66 41.39 1ul7 h LEU 32 CO -0.63 -0.28 0.62 1.23 0.09 0.00 0.00 178.44 179.47 1ul7 h GLY 33 N -0.37 1.96 1.09 0.83 0.00 -1.36 0.75 103.07 105.97 1ul7 h GLY 33 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1ul7 h GLY 33 CO -0.15 -0.54 0.58 0.00 0.00 0.00 0.00 176.54 176.43 1ul7 h ALA 34 N 1.83 1.31 -0.41 3.60 0.00 -0.48 -2.42 119.26 122.68 1ul7 h ALA 34 Ca 0.77 -0.08 -0.31 0.00 0.00 0.00 0.00 54.91 55.29 1ul7 h ALA 34 Cb 1.95 -0.37 -0.13 0.00 0.00 0.00 0.00 17.79 19.25 1ul7 h ALA 34 CO -0.60 0.62 0.33 0.09 0.00 0.00 0.00 179.25 179.70 1ul7 n ASN 35 N -4.38 6.30 -1.95 0.00 3.02 0.26 -4.78 115.26 113.73 1ul7 n ASN 35 Ca 0.10 -2.99 -0.01 0.00 -0.03 0.00 0.00 54.58 51.65 1ul7 n ASN 35 Cb 0.04 -1.11 -0.00 0.00 -0.61 0.00 0.00 39.78 38.10 1ul7 n ASN 35 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1ul7 n ASN 36 N 0.64 -0.89 -4.82 6.41 4.13 -0.91 -4.85 115.26 114.97 1ul7 n ASN 36 Ca 0.30 0.31 -0.36 0.00 1.68 0.00 0.00 54.58 56.50 1ul7 n ASN 36 Cb 0.58 -1.02 -0.06 0.00 -1.54 0.00 0.00 39.78 37.73 1ul7 n ASN 36 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ul7 s ASP 38 N -1.58 5.74 -0.10 0.00 1.01 -0.78 -3.95 116.67 117.02 1ul7 s ASP 38 Ca 0.40 -0.63 -0.02 0.00 0.71 0.00 0.00 52.55 53.01 1ul7 s ASP 38 Cb -0.17 -2.05 -0.03 0.00 1.01 0.00 0.00 42.92 41.68 1ul7 s ASP 38 CO 0.21 -0.26 -0.02 -0.72 0.21 0.00 0.00 175.17 174.59 1ul7 s TYR 39 N 1.63 3.09 -0.03 4.23 1.13 -1.25 -2.06 117.35 124.09 1ul7 s TYR 39 Ca 0.04 0.06 0.04 0.00 -1.41 0.00 0.00 57.07 55.81 1ul7 s TYR 39 Cb -0.18 -1.82 -0.00 0.00 -1.10 0.00 0.00 41.96 38.86 1ul7 s TYR 39 CO 0.08 0.33 -0.14 -1.21 -2.51 0.00 0.00 175.55 172.10 1ul7 s GLU 40 N -0.58 1.33 -0.74 -3.49 2.02 -1.11 -4.87 118.70 111.26 1ul7 s GLU 40 Ca 0.09 -0.48 -0.27 0.00 0.02 0.00 0.00 54.97 54.34 1ul7 s GLU 40 Cb -0.12 -1.21 0.02 0.00 0.10 0.00 0.00 34.13 32.93 1ul7 s GLU 40 CO 0.02 0.21 1.36 -1.14 0.02 0.00 0.00 175.26 175.73 1ul7 s GLN 41 N -0.00 3.15 -0.09 1.61 2.00 -1.26 -1.26 119.66 123.79 1ul7 s GLN 41 Ca -0.01 -0.20 -0.04 0.00 -2.00 0.00 0.00 55.36 53.11 1ul7 s GLN 41 Cb -0.09 -4.27 -0.01 0.00 0.80 0.00 0.00 33.01 29.43 1ul7 s GLN 41 CO 0.01 -2.23 -0.08 0.00 -0.50 0.00 0.00 175.29 172.49 1ul7 h ARG 42 N 10.57 0.00 0.00 1.67 2.47 -1.84 -3.50 114.38 123.75 1ul7 h ARG 42 Ca -0.25 0.00 -0.31 0.00 -1.26 0.00 0.00 59.98 58.16 1ul7 h ARG 42 Cb 1.06 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.34 1ul7 h ARG 42 CO 1.28 0.00 -0.18 0.39 0.56 0.00 0.00 179.97 182.03 1ul7 n GLU 43 N -4.03 1.16 -0.35 0.04 1.02 -1.21 -4.98 120.64 112.28 1ul7 n GLU 43 Ca -0.03 -1.82 -0.01 0.00 -0.02 0.00 0.00 57.16 55.28 1ul7 n GLU 43 Cb 0.13 0.29 0.13 0.00 -0.02 0.00 0.00 31.44 31.97 1ul7 n GLU 43 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1ul7 h ARG 44 N 0.00 1.18 -0.98 3.49 2.43 -2.02 -3.19 114.38 115.29 1ul7 h ARG 44 Ca -0.19 -0.07 -0.42 0.00 -0.81 0.00 0.00 59.98 58.48 1ul7 h ARG 44 Cb 0.66 -0.27 -0.41 0.00 -0.42 0.00 0.00 29.97 29.53 1ul7 h ARG 44 CO 0.31 0.78 -1.00 1.19 -1.51 0.00 0.00 179.97 179.74 1ul7 n PHE 45 N -4.47 2.01 -3.89 2.20 3.72 -1.26 -5.06 117.46 110.71 1ul7 n PHE 45 Ca 0.12 -2.66 -0.11 0.00 -0.05 0.00 0.00 57.45 54.76 1ul7 n PHE 45 Cb 0.09 -0.26 -0.12 0.00 -0.94 0.00 0.00 39.48 38.24 1ul7 n PHE 45 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1ul7 s LEU 46 N -3.45 1.88 0.11 4.37 2.96 -1.21 -3.41 118.68 119.94 1ul7 s LEU 46 Ca 0.36 -0.12 0.02 0.00 -0.22 0.00 0.00 54.13 54.16 1ul7 s LEU 46 Cb 0.41 0.24 -0.04 0.00 0.50 0.00 0.00 46.19 47.30 1ul7 s LEU 46 CO -0.04 -0.16 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.02 1ul7 s LEU 47 N -0.65 2.42 -0.45 -0.68 1.43 -0.48 -2.52 118.68 117.74 1ul7 s LEU 47 Ca -0.07 -1.04 0.01 0.00 -1.03 0.00 0.00 54.13 52.00 1ul7 s LEU 47 Cb -0.04 -0.05 0.12 0.00 0.03 0.00 0.00 46.19 46.25 1ul7 s LEU 47 CO -0.00 -0.50 0.21 0.12 0.23 0.00 0.00 176.35 176.41 1ul7 s PHE 48 N -3.65 3.52 0.36 0.29 5.36 -0.39 -2.26 117.98 121.21 1ul7 s PHE 48 Ca 0.14 -2.85 -0.24 0.00 -0.96 0.00 0.00 56.93 53.02 1ul7 s PHE 48 Cb 0.06 -3.03 -0.10 0.00 -0.34 0.00 0.00 43.02 39.60 1ul7 s PHE 48 CO -0.03 -0.89 0.94 0.00 -1.46 0.00 0.00 175.22 173.78 1ul7 s VAL 50 N -1.82 -0.11 0.05 0.00 1.01 -0.88 -2.46 120.40 116.19 1ul7 s VAL 50 Ca 0.54 0.17 -0.05 0.00 0.00 0.00 0.00 61.98 62.65 1ul7 s VAL 50 Cb -0.15 -0.40 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 1ul7 s VAL 50 CO 0.20 0.07 0.09 -2.28 0.00 0.00 0.00 175.10 173.17 1ul7 s HIS 51 N 1.50 0.25 -0.39 5.22 2.46 -0.71 -1.87 115.29 121.75 1ul7 s HIS 51 Ca -0.07 -0.62 0.01 0.00 0.47 0.00 0.00 55.06 54.85 1ul7 s HIS 51 Cb -0.11 -0.18 0.14 0.00 -0.13 0.00 0.00 32.58 32.31 1ul7 s HIS 51 CO -0.09 -0.39 0.25 0.20 -2.47 0.00 0.00 174.74 172.23 1ul7 s GLY 52 N -2.38 1.14 -0.86 1.59 0.00 -1.26 -1.49 107.32 104.06 1ul7 s GLY 52 Ca -0.01 -2.17 -0.03 0.00 0.00 0.00 0.00 44.72 42.51 1ul7 s GLY 52 CO -0.07 1.95 2.20 1.34 0.00 0.00 0.00 173.10 178.53 1ul7 n ASP 53 N 3.68 7.31 0.00 1.64 2.03 -1.26 -4.87 116.55 125.08 1ul7 n ASP 53 Ca 0.14 -3.57 0.00 0.00 0.52 0.00 0.00 54.79 51.88 1ul7 n ASP 53 Cb 0.38 -1.17 0.00 0.00 -0.72 0.00 0.00 41.12 39.62 1ul7 n ASP 53 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ul7 n GLY 54 N 0.18 -0.43 3.95 0.27 0.00 -1.26 -5.09 105.19 102.80 1ul7 n GLY 54 Ca 0.52 0.27 -0.25 0.00 0.00 0.00 0.00 46.02 46.56 1ul7 n GLY 54 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ul7 s HIS 55 N 0.00 3.48 0.19 1.61 3.76 -1.26 -4.98 115.29 118.08 1ul7 s HIS 55 Ca 0.00 0.08 -0.15 0.00 -0.15 0.00 0.00 55.06 54.84 1ul7 s HIS 55 Cb 0.00 -1.64 0.16 0.00 1.11 0.00 0.00 32.58 32.21 1ul7 s HIS 55 CO 0.00 0.50 1.66 0.00 -0.85 0.00 0.00 174.74 176.04 1ul7 h ALA 56 N 1.88 0.36 0.00 -1.40 0.00 -2.00 0.47 119.26 118.57 1ul7 h ALA 56 Ca -0.49 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1ul7 h ALA 56 Cb 1.20 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1ul7 h ALA 56 CO 0.67 -0.43 0.00 0.93 0.00 0.00 0.00 179.25 180.41 1ul7 h GLU 57 N 0.02 0.00 -0.92 0.00 3.07 -2.04 -1.82 114.58 112.89 1ul7 h GLU 57 Ca 0.24 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.55 1ul7 h GLU 57 Cb 0.37 0.00 -0.29 0.00 -0.84 0.00 0.00 28.75 27.99 1ul7 h GLU 57 CO -0.50 0.00 0.60 0.09 -1.40 0.00 0.00 179.01 177.80 1ul7 n ASN 58 N -2.90 5.28 -4.80 1.42 5.03 0.16 -4.90 115.26 114.55 1ul7 n ASN 58 Ca -0.02 -3.71 -0.34 0.00 0.87 0.00 0.00 54.58 51.38 1ul7 n ASN 58 Cb 0.13 -0.85 -0.05 0.00 -1.02 0.00 0.00 39.78 37.99 1ul7 n ASN 58 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1ul7 s LEU 59 N -3.52 3.93 -0.11 3.41 2.96 -0.69 -4.59 118.68 120.07 1ul7 s LEU 59 Ca 0.59 1.87 0.01 0.00 -0.22 0.00 0.00 54.13 56.39 1ul7 s LEU 59 Cb 0.48 -4.48 -0.01 0.00 0.50 0.00 0.00 46.19 42.68 1ul7 s LEU 59 CO 0.05 -0.60 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.63 1ul7 s VAL 60 N -1.98 2.82 -0.06 1.68 1.01 -0.56 -3.85 120.40 119.46 1ul7 s VAL 60 Ca 0.64 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 1ul7 s VAL 60 Cb -0.15 -2.15 0.03 0.00 0.00 0.00 0.00 36.38 34.11 1ul7 s VAL 60 CO 0.19 0.54 -0.01 -1.10 0.00 0.00 0.00 175.10 174.72 1ul7 s GLN 61 N 0.19 0.64 0.01 2.72 -0.21 -1.26 -1.73 119.66 120.03 1ul7 s GLN 61 Ca -0.09 0.06 -0.05 0.00 0.02 0.00 0.00 55.36 55.29 1ul7 s GLN 61 Cb -0.16 -0.92 -0.01 0.00 1.00 0.00 0.00 33.01 32.93 1ul7 s GLN 61 CO 0.06 -0.24 0.08 1.67 -2.12 0.00 0.00 175.29 174.73 1ul7 s TRP 62 N 1.68 0.13 0.50 0.91 -2.14 -1.03 -1.27 118.94 117.72 1ul7 s TRP 62 Ca 0.01 -0.30 0.07 0.00 2.66 0.00 0.00 56.10 58.54 1ul7 s TRP 62 Cb -0.13 -0.10 0.04 0.00 -3.10 0.00 0.00 33.47 30.18 1ul7 s TRP 62 CO -0.04 -0.27 0.69 -1.21 -2.66 0.00 0.00 176.95 173.46 1ul7 s GLU 63 N -1.56 2.57 -0.17 3.25 2.02 -0.96 -0.54 118.70 123.31 1ul7 s GLU 63 Ca -0.14 -1.31 -0.08 0.00 0.02 0.00 0.00 54.97 53.46 1ul7 s GLU 63 Cb -0.08 -2.67 0.07 0.00 0.10 0.00 0.00 34.13 31.55 1ul7 s GLU 63 CO 0.00 -0.57 0.40 -1.64 0.02 0.00 0.00 175.26 173.46 1ul7 s MET 64 N -4.54 0.35 -0.02 1.61 -1.94 -0.96 -3.17 119.30 110.63 1ul7 s MET 64 Ca 0.58 0.84 -0.00 0.00 -1.71 0.00 0.00 55.69 55.39 1ul7 s MET 64 Cb -0.08 0.06 0.02 0.00 2.01 0.00 0.00 34.83 36.83 1ul7 s MET 64 CO 0.36 -0.19 0.03 -2.00 -0.01 0.00 0.00 175.02 173.22 1ul7 s GLU 65 N 1.74 -0.01 -0.21 2.03 2.12 -1.24 -1.39 118.70 121.74 1ul7 s GLU 65 Ca -0.07 0.13 -0.11 0.00 0.36 0.00 0.00 54.97 55.28 1ul7 s GLU 65 Cb -0.10 -0.14 -0.05 0.00 0.26 0.00 0.00 34.13 34.10 1ul7 s GLU 65 CO -0.12 -0.10 0.20 0.08 -0.54 0.00 0.00 175.26 174.77 1ul7 s VAL 66 N 0.66 5.35 -0.16 3.70 1.01 -1.22 -2.17 120.40 127.57 1ul7 s VAL 66 Ca -0.05 0.30 -0.29 0.00 0.00 0.00 0.00 61.98 61.93 1ul7 s VAL 66 Cb -0.08 -3.54 0.11 0.00 0.00 0.00 0.00 36.38 32.88 1ul7 s VAL 66 CO -0.02 0.36 0.92 0.00 0.00 0.00 0.00 175.10 176.37 1ul7 n LYS 68 N 1.02 2.05 -1.71 0.00 4.81 -1.26 -3.71 118.16 119.35 1ul7 n LYS 68 Ca -0.13 0.72 -0.42 0.00 -0.87 0.00 0.00 58.31 57.61 1ul7 n LYS 68 Cb 0.57 -2.70 -0.00 0.00 0.02 0.00 0.00 35.03 32.92 1ul7 n LYS 68 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1ul7 n LEU 69 N 7.65 3.88 0.27 3.14 4.77 -0.47 -4.88 117.00 131.36 1ul7 n LEU 69 Ca 0.26 1.19 0.17 0.00 -0.03 0.00 0.00 56.01 57.60 1ul7 n LEU 69 Cb 0.31 -1.51 0.69 0.00 -2.33 0.00 0.00 43.42 40.58 1ul7 n LEU 69 CO 0.73 -0.39 0.99 1.55 -1.33 0.00 0.00 177.39 178.94 1ul7 h PRO 70 N 2.53 0.00 0.00 3.23 0.13 -1.91 -3.30 132.00 132.69 1ul7 h PRO 70 Ca -0.47 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.43 1ul7 h PRO 70 Cb 1.28 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 1ul7 h PRO 70 CO 0.62 0.00 -1.57 -2.13 -0.23 0.00 0.00 178.00 174.69 1ul7 n ARG 71 N -3.02 0.55 -3.19 0.86 0.00 -1.26 -5.00 116.66 105.60 1ul7 n ARG 71 Ca 0.01 0.35 -0.24 0.00 -0.00 0.00 0.00 57.85 57.97 1ul7 n ARG 71 Cb 0.29 -1.56 -0.00 0.00 0.00 0.00 0.00 32.46 31.19 1ul7 n ARG 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1ul7 s LEU 72 N -7.80 3.86 -0.55 6.15 1.02 -1.24 -5.00 118.68 115.12 1ul7 s LEU 72 Ca -0.31 0.42 -0.02 0.00 0.02 0.00 0.00 54.13 54.25 1ul7 s LEU 72 Cb 0.08 -3.29 0.38 0.00 0.02 0.00 0.00 46.19 43.38 1ul7 s LEU 72 CO 0.45 -0.46 2.03 -1.20 0.02 0.00 0.00 176.35 177.20 1ul7 n SER 73 N -1.92 7.22 -3.91 2.29 7.64 -1.26 -3.98 113.62 119.70 1ul7 n SER 73 Ca -0.02 -3.55 -0.26 0.00 1.01 0.00 0.00 58.87 56.05 1ul7 n SER 73 Cb 0.57 -1.00 -0.08 0.00 -1.01 0.00 0.00 64.21 62.69 1ul7 n SER 73 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ul7 n LEU 74 N -0.51 0.00 -4.22 -3.43 4.77 -1.26 -5.00 117.00 107.35 1ul7 n LEU 74 Ca 0.52 -3.28 -0.37 0.00 -0.03 0.00 0.00 56.01 52.85 1ul7 n LEU 74 Cb 0.65 1.16 -0.12 0.00 -2.33 0.00 0.00 43.42 42.78 1ul7 n LEU 74 CO 0.66 -0.51 -0.26 0.20 -1.33 0.00 0.00 177.39 176.15 1ul7 s ASN 75 N -3.60 5.20 0.40 -1.43 -0.87 -1.16 -1.37 114.94 112.11 1ul7 s ASN 75 Ca 0.24 -1.35 0.08 0.00 -1.57 0.00 0.00 52.86 50.25 1ul7 s ASN 75 Cb 0.01 -1.82 -0.03 0.00 -0.02 0.00 0.00 41.25 39.39 1ul7 s ASN 75 CO 0.17 -0.36 0.32 -0.83 -2.57 0.00 0.00 177.10 173.83 1ul7 s GLY 76 N 1.49 2.14 0.05 0.66 0.00 -1.24 -2.50 107.32 107.92 1ul7 s GLY 76 Ca -0.01 -1.91 -0.14 0.00 0.00 0.00 0.00 44.72 42.67 1ul7 s GLY 76 CO 0.00 -1.73 0.44 0.14 0.00 0.00 0.00 173.10 171.95 1ul7 s VAL 77 N -2.48 5.00 -0.08 1.40 1.01 -1.26 -3.68 120.40 120.31 1ul7 s VAL 77 Ca 0.45 0.76 -0.06 0.00 0.00 0.00 0.00 61.98 63.13 1ul7 s VAL 77 Cb -0.02 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 1ul7 s VAL 77 CO 0.26 0.44 0.17 -0.60 0.00 0.00 0.00 175.10 175.38 1ul7 s ARG 78 N -1.45 3.47 -0.35 2.72 6.06 -0.92 -4.96 118.95 123.52 1ul7 s ARG 78 Ca 0.29 -0.15 0.00 0.00 -2.50 0.00 0.00 55.73 53.37 1ul7 s ARG 78 Cb -0.16 -3.16 0.11 0.00 0.06 0.00 0.00 34.95 31.80 1ul7 s ARG 78 CO 0.16 0.74 0.14 -0.06 -2.50 0.00 0.00 175.30 173.78 1ul7 s PHE 79 N -1.12 1.87 -0.12 5.12 0.40 -1.26 -3.73 117.98 119.15 1ul7 s PHE 79 Ca 0.19 -1.99 -0.13 0.00 -0.60 0.00 0.00 56.93 54.40 1ul7 s PHE 79 Cb -0.12 -1.81 -0.05 0.00 0.51 0.00 0.00 43.02 41.55 1ul7 s PHE 79 CO 0.09 -0.86 0.29 0.21 0.70 0.00 0.00 175.22 175.65 1ul7 s LYS 80 N 1.22 4.03 -0.18 0.44 2.36 -1.19 -4.95 119.74 121.47 1ul7 s LYS 80 Ca 0.12 0.12 -0.19 0.00 -2.55 0.00 0.00 55.97 53.47 1ul7 s LYS 80 Cb -0.19 -3.34 -0.03 0.00 -1.05 0.00 0.00 37.83 33.22 1ul7 s LYS 80 CO -0.17 0.44 0.52 0.50 1.55 0.00 0.00 175.35 178.20 1ul7 s ARG 81 N -0.15 4.22 -0.17 4.03 3.52 -1.26 -2.26 118.95 126.88 1ul7 s ARG 81 Ca 0.18 0.44 -0.15 0.00 -0.13 0.00 0.00 55.73 56.07 1ul7 s ARG 81 Cb -0.14 -3.54 -0.06 0.00 -1.56 0.00 0.00 34.95 29.65 1ul7 s ARG 81 CO 0.06 -0.10 -0.31 -0.89 -0.81 0.00 0.00 175.30 173.25 1ul7 n ILE 82 N 4.39 1.43 -4.40 4.11 2.08 -0.40 -5.02 119.36 121.56 1ul7 n ILE 82 Ca -0.05 0.05 -0.22 0.00 0.56 0.00 0.00 62.75 63.09 1ul7 n ILE 82 Cb 0.51 -2.15 -0.08 0.00 -0.75 0.00 0.00 39.64 37.16 1ul7 n ILE 82 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 1ul7 s SER 83 N -6.23 2.16 0.00 4.38 0.01 -1.21 -5.01 113.70 107.80 1ul7 s SER 83 Ca -0.27 -1.69 0.00 0.00 1.31 0.00 0.00 55.95 55.29 1ul7 s SER 83 Cb 0.06 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.81 1ul7 s SER 83 CO 0.39 -0.98 0.00 0.61 0.41 0.00 0.00 173.24 173.67 1ul7 n GLY 84 N -0.75 -2.66 3.51 3.44 0.00 -1.25 -4.13 105.19 103.35 1ul7 n GLY 84 Ca 0.00 -1.36 -0.30 0.00 0.00 0.00 0.00 46.02 44.37 1ul7 n GLY 84 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ul7 s THR 85 N -3.62 1.61 0.24 2.61 -1.32 -1.26 -4.86 115.64 109.03 1ul7 s THR 85 Ca 0.00 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 60.59 1ul7 s THR 85 Cb 0.00 -2.32 -0.03 0.00 -1.51 0.00 0.00 72.50 68.64 1ul7 s THR 85 CO 0.00 0.00 1.59 0.28 -2.21 0.00 0.00 174.62 174.28 1ul7 h SER 86 N -2.72 0.00 0.00 8.08 0.02 -1.98 -2.82 113.55 114.12 1ul7 h SER 86 Ca -0.48 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1ul7 h SER 86 Cb 1.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.86 1ul7 h SER 86 CO 0.38 0.63 -0.00 0.40 -1.14 0.00 0.00 176.83 177.10 1ul7 h ILE 87 N 0.00 0.00 -0.15 3.27 2.04 -1.99 -1.51 117.51 119.17 1ul7 h ILE 87 Ca -0.01 -0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.89 1ul7 h ILE 87 Cb 1.15 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1ul7 h ILE 87 CO 0.08 0.00 0.40 0.00 0.00 0.00 0.00 178.15 178.63 1ul7 h ALA 88 N -2.00 1.63 -0.01 1.87 0.00 -1.95 0.37 119.26 119.17 1ul7 h ALA 88 Ca -0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1ul7 h ALA 88 Cb 0.00 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ul7 h ALA 88 CO 0.00 -0.48 -0.37 0.35 0.00 0.00 0.00 179.25 178.75 1ul7 h PHE 89 N 0.00 0.40 0.00 0.00 3.57 -1.44 -2.87 116.94 116.60 1ul7 h PHE 89 Ca 0.07 -0.21 -0.05 0.00 3.53 0.00 0.00 57.97 61.31 1ul7 h PHE 89 Cb 0.87 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 1ul7 h PHE 89 CO 0.00 1.00 -0.25 -0.22 -2.23 0.00 0.00 178.31 176.61 1ul7 h LYS 90 N -0.32 0.00 0.09 1.11 3.64 0.12 -2.65 116.57 118.56 1ul7 h LYS 90 Ca -0.04 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1ul7 h LYS 90 Cb 1.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1ul7 h LYS 90 CO 0.07 0.25 -0.04 -0.91 -2.27 0.00 0.00 179.45 176.55 1ul7 h ASN 91 N 0.00 -0.10 -0.84 4.20 4.21 -1.27 -2.67 115.58 119.11 1ul7 h ASN 91 Ca -0.00 0.00 0.24 0.00 1.21 0.00 0.00 56.30 57.75 1ul7 h ASN 91 Cb 0.72 0.03 -0.04 0.00 -1.12 0.00 0.00 38.32 37.91 1ul7 h ASN 91 CO 0.03 -0.02 0.60 -0.29 -1.29 0.00 0.00 177.43 176.46 1ul7 h ILE 92 N -0.23 0.59 -0.56 2.81 6.09 -1.60 0.13 117.51 124.74 1ul7 h ILE 92 Ca -0.01 -0.01 -0.09 0.00 -1.37 0.00 0.00 64.86 63.38 1ul7 h ILE 92 Cb 0.09 0.56 -0.02 0.00 0.47 0.00 0.00 36.82 37.92 1ul7 h ILE 92 CO 0.02 0.01 0.01 0.00 -3.07 0.00 0.00 178.15 175.11 1ul7 h ALA 93 N 1.59 0.76 0.00 0.18 0.00 -1.52 -2.38 119.26 117.88 1ul7 h ALA 93 Ca 0.40 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ul7 h ALA 93 Cb 1.56 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1ul7 h ALA 93 CO -0.02 0.58 0.01 0.77 0.00 0.00 0.00 179.25 180.59 1ul7 h SER 94 N 0.87 0.00 1.16 0.00 0.02 -0.37 0.50 113.55 115.73 1ul7 h SER 94 Ca 0.16 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.94 1ul7 h SER 94 Cb 0.54 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 1ul7 h SER 94 CO 0.03 0.00 -0.85 0.11 -1.14 0.00 0.00 176.83 174.98 1ul7 h LYS 95 N 0.00 0.00 0.00 3.45 1.79 -1.40 -3.19 116.57 117.22 1ul7 h LYS 95 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1ul7 h LYS 95 Cb 0.02 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 1ul7 h LYS 95 CO 0.00 0.80 -0.06 0.82 -1.08 0.00 0.00 179.45 179.93 1ul7 h ILE 96 N 0.00 0.00 -0.95 1.86 1.08 -0.94 -3.07 117.51 115.49 1ul7 h ILE 96 Ca -0.02 -0.34 0.17 0.00 -0.39 0.00 0.00 64.86 64.28 1ul7 h ILE 96 Cb 1.64 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 35.22 1ul7 h ILE 96 CO 0.10 0.00 -0.32 0.00 -0.69 0.00 0.00 178.15 177.24 1ul7 h ALA 97 N -1.66 0.34 0.39 1.87 0.00 -1.62 0.19 119.26 118.76 1ul7 h ALA 97 Ca 0.00 0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1ul7 h ALA 97 Cb 0.06 0.88 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1ul7 h ALA 97 CO 0.00 -0.53 -0.30 -0.97 0.00 0.00 0.00 179.25 177.45 1ul7 h ASN 98 N -0.01 -0.77 -0.31 0.00 -0.73 -1.74 -2.98 115.58 109.04 1ul7 h ASN 98 Ca 0.38 0.06 0.07 0.00 1.87 0.00 0.00 56.30 58.68 1ul7 h ASN 98 Cb 0.64 0.24 -0.08 0.00 0.27 0.00 0.00 38.32 39.39 1ul7 h ASN 98 CO -0.96 -0.44 -0.25 -0.33 -0.37 0.00 0.00 177.43 175.07 1ul7 h GLU 99 N -0.68 -0.22 -5.64 6.67 5.08 -0.86 -3.42 114.58 115.51 1ul7 h GLU 99 Ca -0.03 0.02 -0.80 0.00 -1.00 0.00 0.00 59.36 57.54 1ul7 h GLU 99 Cb 0.59 0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.91 1ul7 h GLU 99 CO -0.00 -0.15 0.49 1.28 -1.00 0.00 0.00 179.01 179.63 1ul7 n LEU 100 N -5.39 0.82 -4.00 1.33 4.77 0.47 -4.84 117.00 110.17 1ul7 n LEU 100 Ca 0.00 1.11 -0.43 0.00 -0.03 0.00 0.00 56.01 56.67 1ul7 n LEU 100 Cb 0.30 -0.84 0.01 0.00 -2.33 0.00 0.00 43.42 40.56 1ul7 n LEU 100 CO 0.12 -1.07 1.09 0.29 -1.33 0.00 0.00 177.39 176.50 1ul7 n LYS 101 N 3.11 4.40 0.00 3.23 5.02 -1.26 -4.99 118.16 127.67 1ul7 n LYS 101 Ca 0.26 -4.56 0.03 0.00 -2.02 0.00 0.00 58.31 52.02 1ul7 n LYS 101 Cb -0.02 -2.50 0.02 0.00 -0.02 0.00 0.00 35.03 32.51 1ul7 n LYS 101 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16