#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 1.64 -4.71 1.61 3.41 -1.26 -4.85 113.62 109.47 1ul7 n SER 2 Ca 0.00 1.13 -0.43 0.00 -0.26 0.00 0.00 58.87 59.31 1ul7 n SER 2 Cb 0.00 -1.22 -0.01 0.00 -0.26 0.00 0.00 64.21 62.72 1ul7 n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ul7 n SER 3 N 2.37 3.16 -3.06 4.04 7.64 -1.26 -4.97 113.62 121.54 1ul7 n SER 3 Ca 0.17 1.18 0.04 0.00 1.01 0.00 0.00 58.87 61.28 1ul7 n SER 3 Cb 0.22 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 61.90 1ul7 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ul7 s GLY 4 N 0.03 -1.11 0.37 0.23 0.00 -1.26 -5.13 107.32 100.44 1ul7 s GLY 4 Ca 0.60 1.78 0.05 0.00 0.00 0.00 0.00 44.72 47.14 1ul7 s GLY 4 CO 0.57 4.11 0.05 -1.35 0.00 0.00 0.00 173.10 176.48 1ul7 s SER 5 N 2.67 2.96 -0.46 1.64 1.04 -1.26 -5.11 113.70 115.17 1ul7 s SER 5 Ca 0.23 -1.41 -0.12 0.00 0.48 0.00 0.00 55.95 55.13 1ul7 s SER 5 Cb -0.01 -0.11 0.09 0.00 0.10 0.00 0.00 66.02 66.10 1ul7 s SER 5 CO -0.21 -0.60 0.35 -0.44 0.98 0.00 0.00 173.24 173.32 1ul7 s SER 6 N -3.59 5.85 0.00 7.02 0.01 -1.26 -4.64 113.70 117.10 1ul7 s SER 6 Ca 0.34 -1.60 0.00 0.00 1.31 0.00 0.00 55.95 56.00 1ul7 s SER 6 Cb 0.08 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 64.24 1ul7 s SER 6 CO 0.16 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 173.77 1ul7 n GLY 7 N 5.03 -0.59 3.76 3.44 0.00 -1.26 -5.15 105.19 110.42 1ul7 n GLY 7 Ca -0.11 0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 2.19 -0.08 1.61 0.52 -1.26 -5.14 118.95 116.78 1ul7 s ARG 8 Ca 0.00 -2.06 -0.03 0.00 -0.52 0.00 0.00 55.73 53.12 1ul7 s ARG 8 Cb 0.00 -1.84 0.04 0.00 0.52 0.00 0.00 34.95 33.67 1ul7 s ARG 8 CO 0.00 -0.27 0.09 0.12 0.02 0.00 0.00 175.30 175.26 1ul7 s PHE 9 N -2.72 0.05 1.40 -0.53 5.36 -1.26 -4.83 117.98 115.45 1ul7 s PHE 9 Ca 0.30 0.17 -0.21 0.00 -0.96 0.00 0.00 56.93 56.23 1ul7 s PHE 9 Cb 0.03 -0.50 0.36 0.00 -0.34 0.00 0.00 43.02 42.57 1ul7 s PHE 9 CO 0.17 -0.29 0.88 0.25 -1.46 0.00 0.00 175.22 174.77 1ul7 n THR 10 N 5.30 0.00 -3.53 0.12 -2.24 -1.26 -4.96 114.28 107.71 1ul7 n THR 10 Ca -0.04 -0.14 -0.33 0.00 -2.27 0.00 0.00 64.05 61.27 1ul7 n THR 10 Cb 0.50 -0.97 -0.07 0.00 -2.10 0.00 0.00 70.33 67.69 1ul7 n THR 10 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1ul7 n TRP 11 N -5.60 3.62 -2.96 4.78 -0.00 -1.26 -5.06 117.44 110.96 1ul7 n TRP 11 Ca 0.10 -3.95 -0.19 0.00 -0.00 0.00 0.00 57.50 53.46 1ul7 n TRP 11 Cb 0.58 -0.90 0.05 0.00 -0.00 0.00 0.00 31.31 31.04 1ul7 n TRP 11 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 1ul7 s SER 12 N -1.31 5.21 0.08 5.87 0.15 -1.26 -5.10 113.70 117.35 1ul7 s SER 12 Ca 0.31 -0.62 -0.17 0.00 0.70 0.00 0.00 55.95 56.17 1ul7 s SER 12 Cb 0.02 -0.10 0.04 0.00 -1.71 0.00 0.00 66.02 64.26 1ul7 s SER 12 CO -0.07 -1.20 0.41 -0.04 1.20 0.00 0.00 173.24 173.55 1ul7 s MET 13 N -4.62 0.99 0.00 5.44 -1.94 -1.26 -5.00 119.30 112.91 1ul7 s MET 13 Ca 0.60 -0.51 0.00 0.00 -1.71 0.00 0.00 55.69 54.07 1ul7 s MET 13 Cb -0.07 0.44 0.00 0.00 2.01 0.00 0.00 34.83 37.21 1ul7 s MET 13 CO 0.38 -0.36 0.00 1.63 -0.01 0.00 0.00 175.02 176.65 1ul7 n LYS 14 N 0.18 3.08 -2.52 2.03 5.02 -1.26 -4.97 118.16 119.72 1ul7 n LYS 14 Ca -0.17 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.70 1ul7 n LYS 14 Cb 0.62 -0.90 -0.03 0.00 -0.02 0.00 0.00 35.03 34.70 1ul7 n LYS 14 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1ul7 s THR 15 N -1.79 3.84 0.07 -0.18 2.01 -1.26 -5.00 115.64 113.32 1ul7 s THR 15 Ca 0.00 0.65 0.08 0.00 0.31 0.00 0.00 61.69 62.73 1ul7 s THR 15 Cb 0.00 -4.72 -0.03 0.00 0.01 0.00 0.00 72.50 67.75 1ul7 s THR 15 CO 0.00 -1.50 -0.19 0.42 -0.69 0.00 0.00 174.62 172.66 1ul7 s THR 16 N 5.60 2.76 0.01 -0.82 -4.23 -1.26 -3.96 115.64 113.74 1ul7 s THR 16 Ca 0.42 -1.32 0.03 0.00 -1.18 0.00 0.00 61.69 59.65 1ul7 s THR 16 Cb -0.08 -2.19 -0.01 0.00 1.34 0.00 0.00 72.50 71.55 1ul7 s THR 16 CO 0.21 0.25 -0.09 -0.55 -0.54 0.00 0.00 174.62 173.90 1ul7 s SER 17 N -1.68 1.07 -0.21 3.99 0.15 -1.22 -5.01 113.70 110.80 1ul7 s SER 17 Ca 0.15 -0.29 -0.20 0.00 0.70 0.00 0.00 55.95 56.31 1ul7 s SER 17 Cb -0.10 -0.08 -0.17 0.00 -1.71 0.00 0.00 66.02 63.95 1ul7 s SER 17 CO 0.07 0.03 0.13 -1.20 1.20 0.00 0.00 173.24 173.46 1ul7 n SER 18 N 2.39 1.87 -3.78 5.45 7.64 -1.26 -1.72 113.62 124.21 1ul7 n SER 18 Ca -0.16 0.43 -0.41 0.00 1.01 0.00 0.00 58.87 59.74 1ul7 n SER 18 Cb 0.56 -0.95 -0.02 0.00 -1.01 0.00 0.00 64.21 62.79 1ul7 n SER 18 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 1ul7 n MET 19 N -4.43 0.00 -1.27 1.43 0.00 -1.26 -4.68 117.12 106.91 1ul7 n MET 19 Ca -0.33 0.00 -0.38 0.00 0.00 0.00 0.00 57.70 56.99 1ul7 n MET 19 Cb 0.68 -0.86 0.02 0.00 0.00 0.00 0.00 33.22 33.06 1ul7 n MET 19 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1ul7 n ASP 20 N 1.75 -3.24 -0.08 3.17 8.00 -1.26 -4.83 116.55 120.07 1ul7 n ASP 20 Ca 0.15 0.64 -0.11 0.00 0.71 0.00 0.00 54.79 56.17 1ul7 n ASP 20 Cb 0.23 -0.92 0.02 0.00 -0.02 0.00 0.00 41.12 40.43 1ul7 n ASP 20 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1ul7 h PRO 21 N -0.05 0.80 -0.21 -0.24 0.13 -1.94 -3.02 132.00 127.47 1ul7 h PRO 21 Ca -0.42 -0.42 0.06 0.00 -0.87 0.00 0.00 66.00 64.35 1ul7 h PRO 21 Cb 1.43 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.56 1ul7 h PRO 21 CO 0.42 1.05 0.69 0.77 -0.23 0.00 0.00 178.00 180.70 1ul7 h SER 22 N 0.65 0.00 0.09 1.44 0.02 -1.95 0.40 113.55 114.19 1ul7 h SER 22 Ca 0.05 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.67 1ul7 h SER 22 Cb 0.97 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 1ul7 h SER 22 CO 0.09 0.00 -1.84 0.47 -1.14 0.00 0.00 176.83 174.41 1ul7 n ASP 23 N -2.94 2.06 -0.26 3.07 8.00 -1.14 -4.28 116.55 121.06 1ul7 n ASP 23 Ca 0.04 0.26 0.04 0.00 0.71 0.00 0.00 54.79 55.84 1ul7 n ASP 23 Cb 0.78 -0.88 0.14 0.00 -0.02 0.00 0.00 41.12 41.14 1ul7 n ASP 23 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1ul7 h MET 24 N -0.21 0.06 -1.02 -1.24 2.86 -0.25 0.64 114.93 115.77 1ul7 h MET 24 Ca -0.41 -0.00 0.28 0.00 -2.06 0.00 0.00 59.70 57.50 1ul7 h MET 24 Cb 1.84 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 33.43 1ul7 h MET 24 CO 0.00 0.04 0.70 0.52 1.06 0.00 0.00 176.91 179.24 1ul7 h MET 25 N 0.07 0.16 0.27 1.72 2.86 -1.69 0.20 114.93 118.52 1ul7 h MET 25 Ca 0.40 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 58.01 1ul7 h MET 25 Cb 0.68 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.30 1ul7 h MET 25 CO -0.70 0.11 -0.13 -0.09 1.06 0.00 0.00 176.91 177.16 1ul7 h ARG 26 N 0.17 -0.35 -0.14 1.72 2.43 0.07 -3.19 114.38 115.09 1ul7 h ARG 26 Ca 0.52 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.76 1ul7 h ARG 26 Cb 1.73 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 31.31 1ul7 h ARG 26 CO -0.11 -0.13 -0.15 1.49 -1.51 0.00 0.00 179.97 179.56 1ul7 h GLU 27 N -1.05 -0.17 -0.83 0.20 4.57 -0.91 0.37 114.58 116.76 1ul7 h GLU 27 Ca -0.04 0.01 0.11 0.00 -1.18 0.00 0.00 59.36 58.27 1ul7 h GLU 27 Cb 0.38 0.04 -0.13 0.00 -0.16 0.00 0.00 28.75 28.88 1ul7 h GLU 27 CO 0.06 -0.11 -0.45 0.82 -1.18 0.00 0.00 179.01 178.15 1ul7 h ILE 28 N -0.17 0.04 -0.30 2.32 2.04 -0.77 0.40 117.51 121.06 1ul7 h ILE 28 Ca 0.10 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.92 1ul7 h ILE 28 Cb 0.32 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 1ul7 h ILE 28 CO -0.25 0.00 0.03 0.03 0.00 0.00 0.00 178.15 177.96 1ul7 h ARG 29 N -0.09 0.51 -1.01 2.37 3.08 -1.46 -2.53 114.38 115.25 1ul7 h ARG 29 Ca 0.24 -0.15 0.32 0.00 0.07 0.00 0.00 59.98 60.46 1ul7 h ARG 29 Cb 0.54 -0.05 -0.15 0.00 0.08 0.00 0.00 29.97 30.39 1ul7 h ARG 29 CO -0.86 0.63 0.58 -0.22 -1.07 0.00 0.00 179.97 179.03 1ul7 h LYS 30 N 0.32 0.34 0.12 0.04 3.64 0.11 -1.15 116.57 119.99 1ul7 h LYS 30 Ca 0.09 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1ul7 h LYS 30 Cb 0.37 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1ul7 h LYS 30 CO 0.01 0.22 -0.06 0.28 -2.27 0.00 0.00 179.45 177.63 1ul7 h VAL 31 N 0.35 0.80 -0.32 2.00 2.07 -0.99 -3.36 116.25 116.80 1ul7 h VAL 31 Ca 0.73 -1.27 0.03 0.00 0.82 0.00 0.00 66.70 67.00 1ul7 h VAL 31 Cb 1.65 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 32.79 1ul7 h VAL 31 CO -0.58 0.23 -0.19 0.18 0.02 0.00 0.00 177.57 177.23 1ul7 n LEU 32 N -4.86 -0.34 -0.32 2.57 4.77 -0.48 0.11 117.00 118.45 1ul7 n LEU 32 Ca -0.07 1.10 0.28 0.00 -0.03 0.00 0.00 56.01 57.29 1ul7 n LEU 32 Cb 0.25 -0.34 0.49 0.00 -2.33 0.00 0.00 43.42 41.49 1ul7 n LEU 32 CO 0.22 -0.73 0.88 0.61 -1.33 0.00 0.00 177.39 177.04 1ul7 n GLY 33 N -1.08 -0.61 0.11 -0.72 0.00 -0.92 0.18 105.19 102.16 1ul7 n GLY 33 Ca 0.01 0.58 -0.11 0.00 0.00 0.00 0.00 46.02 46.49 1ul7 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ul7 h ALA 34 N 1.28 0.22 -0.20 4.61 0.00 0.58 -2.78 119.26 122.97 1ul7 h ALA 34 Ca 0.65 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 55.31 1ul7 h ALA 34 Cb 1.99 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.66 1ul7 h ALA 34 CO -0.42 -0.17 0.17 0.09 0.00 0.00 0.00 179.25 178.92 1ul7 n ASN 35 N -4.83 5.05 -2.66 0.00 3.02 0.49 -4.78 115.26 111.54 1ul7 n ASN 35 Ca -0.04 -2.59 -0.06 0.00 -0.03 0.00 0.00 54.58 51.86 1ul7 n ASN 35 Cb 0.14 -0.94 -0.01 0.00 -0.61 0.00 0.00 39.78 38.35 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 0.76 -1.05 -4.81 6.41 3.02 -1.05 -4.85 115.26 113.70 1ul7 n ASN 36 Ca 0.13 0.23 -0.36 0.00 -0.03 0.00 0.00 54.58 54.54 1ul7 n ASN 36 Cb 0.59 -1.02 -0.06 0.00 -0.61 0.00 0.00 39.78 38.68 1ul7 n ASN 36 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ul7 s ASP 38 N -1.65 5.45 0.12 0.00 1.01 -0.34 -4.22 116.67 117.04 1ul7 s ASP 38 Ca 0.45 -0.29 0.05 0.00 0.71 0.00 0.00 52.55 53.48 1ul7 s ASP 38 Cb -0.17 -1.99 -0.04 0.00 1.01 0.00 0.00 42.92 41.73 1ul7 s ASP 38 CO 0.22 -0.10 0.01 -0.72 0.21 0.00 0.00 175.17 174.79 1ul7 s TYR 39 N 1.64 2.97 0.02 4.23 1.13 -1.25 -0.08 117.35 126.01 1ul7 s TYR 39 Ca 0.06 -0.05 0.00 0.00 -1.41 0.00 0.00 57.07 55.67 1ul7 s TYR 39 Cb -0.16 -1.50 -0.02 0.00 -1.10 0.00 0.00 41.96 39.19 1ul7 s TYR 39 CO 0.06 0.49 -0.03 -2.00 -2.51 0.00 0.00 175.55 171.56 1ul7 s GLU 40 N -2.54 0.28 -0.83 -3.49 2.12 -1.03 -4.86 118.70 108.35 1ul7 s GLU 40 Ca 0.27 -0.54 -0.25 0.00 0.36 0.00 0.00 54.97 54.80 1ul7 s GLU 40 Cb -0.11 0.09 0.02 0.00 0.26 0.00 0.00 34.13 34.39 1ul7 s GLU 40 CO 0.19 -0.04 1.54 -1.14 -0.54 0.00 0.00 175.26 175.26 1ul7 s GLN 41 N -1.30 3.12 0.00 4.30 -0.44 -1.26 -0.88 119.66 123.20 1ul7 s GLN 41 Ca -0.14 -0.38 0.00 0.00 -2.50 0.00 0.00 55.36 52.34 1ul7 s GLN 41 Cb -0.09 -4.73 0.00 0.00 -1.64 0.00 0.00 33.01 26.56 1ul7 s GLN 41 CO -0.01 -2.46 0.00 0.54 0.50 0.00 0.00 175.29 173.86 1ul7 n ARG 42 N 9.11 0.00 -3.60 1.67 5.12 -0.70 -4.97 116.66 123.28 1ul7 n ARG 42 Ca 0.21 0.28 -0.21 0.00 -1.93 0.00 0.00 57.85 56.21 1ul7 n ARG 42 Cb 0.50 -0.78 -0.03 0.00 -1.16 0.00 0.00 32.46 30.98 1ul7 n ARG 42 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1ul7 n GLU 43 N -2.19 1.14 -0.15 5.56 -0.58 0.05 -4.96 120.64 119.51 1ul7 n GLU 43 Ca 0.00 -2.40 -0.10 0.00 -0.42 0.00 0.00 57.16 54.23 1ul7 n GLU 43 Cb 0.00 0.56 -0.05 0.00 -0.57 0.00 0.00 31.44 31.38 1ul7 n GLU 43 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ul7 h ARG 44 N 0.00 -0.30 0.00 3.49 2.47 -2.02 -2.90 114.38 115.12 1ul7 h ARG 44 Ca -0.27 0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.46 1ul7 h ARG 44 Cb 0.84 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 29.21 1ul7 h ARG 44 CO 0.44 -0.20 -0.45 1.19 0.56 0.00 0.00 179.97 181.51 1ul7 n PHE 45 N -5.41 0.00 -5.02 3.04 3.01 -1.26 -5.01 117.46 106.81 1ul7 n PHE 45 Ca -0.01 -1.33 -0.29 0.00 1.01 0.00 0.00 57.45 56.83 1ul7 n PHE 45 Cb 0.35 -0.22 -0.16 0.00 -0.01 0.00 0.00 39.48 39.43 1ul7 n PHE 45 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1ul7 s LEU 46 N -2.93 1.97 0.35 4.37 2.96 -1.10 -1.78 118.68 122.52 1ul7 s LEU 46 Ca 0.36 -0.44 0.09 0.00 -0.22 0.00 0.00 54.13 53.91 1ul7 s LEU 46 Cb 0.35 -1.18 -0.07 0.00 0.50 0.00 0.00 46.19 45.80 1ul7 s LEU 46 CO -0.06 0.16 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.31 1ul7 s LEU 47 N 0.15 2.71 -0.54 -0.68 1.43 -1.23 -0.77 118.68 119.75 1ul7 s LEU 47 Ca -0.09 -1.24 -0.02 0.00 -1.03 0.00 0.00 54.13 51.75 1ul7 s LEU 47 Cb -0.14 -0.92 0.14 0.00 0.03 0.00 0.00 46.19 45.30 1ul7 s LEU 47 CO 0.05 -0.28 0.34 0.12 0.23 0.00 0.00 176.35 176.80 1ul7 s PHE 48 N -2.70 3.46 0.42 0.29 2.19 -0.06 -3.22 117.98 118.37 1ul7 s PHE 48 Ca 0.33 -2.66 -0.23 0.00 0.33 0.00 0.00 56.93 54.71 1ul7 s PHE 48 Cb 0.04 -3.18 -0.09 0.00 -1.31 0.00 0.00 43.02 38.48 1ul7 s PHE 48 CO 0.16 -0.88 1.02 0.00 1.83 0.00 0.00 175.22 177.35 1ul7 s VAL 50 N -1.83 -0.04 -0.08 0.00 1.01 0.89 -2.67 120.40 117.68 1ul7 s VAL 50 Ca 0.61 0.14 -0.09 0.00 0.00 0.00 0.00 61.98 62.63 1ul7 s VAL 50 Cb -0.18 -0.36 0.02 0.00 0.00 0.00 0.00 36.38 35.86 1ul7 s VAL 50 CO 0.23 0.06 0.25 -2.28 0.00 0.00 0.00 175.10 173.36 1ul7 s HIS 51 N 1.18 -0.25 -0.20 5.22 2.46 -0.83 -1.20 115.29 121.68 1ul7 s HIS 51 Ca -0.09 0.60 -0.11 0.00 0.47 0.00 0.00 55.06 55.93 1ul7 s HIS 51 Cb -0.10 0.09 -0.20 0.00 -0.13 0.00 0.00 32.58 32.24 1ul7 s HIS 51 CO -0.08 -0.17 0.10 0.41 -2.47 0.00 0.00 174.74 172.53 1ul7 n GLY 52 N 2.70 -0.60 2.86 1.59 0.00 -1.26 -0.44 105.19 110.04 1ul7 n GLY 52 Ca -0.14 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 1ul7 n GLY 52 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ul7 n ASP 53 N -3.87 -1.11 0.00 1.61 5.68 -1.26 -4.20 116.55 113.39 1ul7 n ASP 53 Ca -0.38 -0.01 0.00 0.00 -0.50 0.00 0.00 54.79 53.90 1ul7 n ASP 53 Cb 0.90 -1.05 0.00 0.00 -1.14 0.00 0.00 41.12 39.83 1ul7 n ASP 53 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ul7 n GLY 54 N -0.61 -0.54 3.96 6.12 0.00 -1.26 -5.10 105.19 107.76 1ul7 n GLY 54 Ca 0.03 -0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 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 2.89 -0.03 1.61 3.76 -1.26 -5.02 115.29 117.24 1ul7 s HIS 55 Ca 0.00 0.13 -0.24 0.00 -0.15 0.00 0.00 55.06 54.80 1ul7 s HIS 55 Cb 0.00 -2.87 -0.17 0.00 1.11 0.00 0.00 32.58 30.64 1ul7 s HIS 55 CO 0.00 -1.02 1.09 0.00 -0.85 0.00 0.00 174.74 173.96 1ul7 h ALA 56 N -0.12 -0.20 0.00 -1.40 0.00 -1.99 -2.95 119.26 112.60 1ul7 h ALA 56 Ca -0.43 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1ul7 h ALA 56 Cb 1.30 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1ul7 h ALA 56 CO 0.55 -0.35 0.04 0.39 0.00 0.00 0.00 179.25 179.87 1ul7 n GLU 57 N -4.96 0.06 -0.73 0.00 -0.58 -1.26 -0.47 120.64 112.70 1ul7 n GLU 57 Ca -0.08 0.54 -0.02 0.00 -0.42 0.00 0.00 57.16 57.18 1ul7 n GLU 57 Cb 0.26 -1.74 0.20 0.00 -0.57 0.00 0.00 31.44 29.60 1ul7 n GLU 57 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1ul7 n ASN 58 N -1.82 2.56 -4.78 1.62 3.02 -1.12 -5.02 115.26 109.72 1ul7 n ASN 58 Ca -0.01 -3.69 -0.37 0.00 -0.03 0.00 0.00 54.58 50.49 1ul7 n ASN 58 Cb 0.05 -0.61 -0.03 0.00 -0.61 0.00 0.00 39.78 38.58 1ul7 n ASN 58 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1ul7 s LEU 59 N -3.19 4.09 -0.09 3.41 0.20 0.38 -4.69 118.68 118.78 1ul7 s LEU 59 Ca 0.44 2.11 -0.02 0.00 0.69 0.00 0.00 54.13 57.35 1ul7 s LEU 59 Cb 0.39 -4.22 -0.03 0.00 -0.43 0.00 0.00 46.19 41.90 1ul7 s LEU 59 CO 0.00 -0.63 0.00 -0.69 -0.29 0.00 0.00 176.35 174.75 1ul7 s VAL 60 N -1.64 4.33 -0.08 1.68 1.01 0.42 -4.51 120.40 121.61 1ul7 s VAL 60 Ca 0.60 -0.24 -0.02 0.00 0.00 0.00 0.00 61.98 62.32 1ul7 s VAL 60 Cb -0.24 -2.83 0.03 0.00 0.00 0.00 0.00 36.38 33.35 1ul7 s VAL 60 CO 0.29 0.60 0.02 -1.10 0.00 0.00 0.00 175.10 174.91 1ul7 s GLN 61 N -0.81 0.40 0.03 2.72 -0.21 -1.26 -1.96 119.66 118.58 1ul7 s GLN 61 Ca 0.12 0.14 -0.08 0.00 0.02 0.00 0.00 55.36 55.56 1ul7 s GLN 61 Cb -0.11 -0.96 -0.00 0.00 1.00 0.00 0.00 33.01 32.94 1ul7 s GLN 61 CO 0.02 -0.35 0.16 1.67 -2.12 0.00 0.00 175.29 174.67 1ul7 s TRP 62 N 2.03 0.10 0.37 0.91 -2.14 -1.09 -1.08 118.94 118.03 1ul7 s TRP 62 Ca 0.04 -0.32 0.08 0.00 2.66 0.00 0.00 56.10 58.57 1ul7 s TRP 62 Cb -0.13 -0.07 -0.05 0.00 -3.10 0.00 0.00 33.47 30.13 1ul7 s TRP 62 CO -0.05 -0.39 0.14 -1.21 -2.66 0.00 0.00 176.95 172.78 1ul7 s GLU 63 N -2.40 2.26 -0.23 3.25 2.02 -0.66 -0.82 118.70 122.13 1ul7 s GLU 63 Ca -0.06 -1.69 -0.04 0.00 0.02 0.00 0.00 54.97 53.20 1ul7 s GLU 63 Cb -0.02 -2.06 0.09 0.00 0.10 0.00 0.00 34.13 32.24 1ul7 s GLU 63 CO -0.03 0.03 0.18 -1.64 0.02 0.00 0.00 175.26 173.81 1ul7 s MET 64 N -3.85 0.18 -0.09 1.61 -1.94 -1.20 -2.03 119.30 111.99 1ul7 s MET 64 Ca 0.39 -0.09 -0.11 0.00 -1.71 0.00 0.00 55.69 54.17 1ul7 s MET 64 Cb 0.00 -1.28 -0.05 0.00 2.01 0.00 0.00 34.83 35.52 1ul7 s MET 64 CO 0.22 -0.80 0.27 -2.00 -0.01 0.00 0.00 175.02 172.71 1ul7 s GLU 65 N 2.23 3.82 -0.50 2.03 2.12 -0.07 -3.53 118.70 124.80 1ul7 s GLU 65 Ca 0.06 0.12 -0.12 0.00 0.36 0.00 0.00 54.97 55.39 1ul7 s GLU 65 Cb -0.16 -3.26 0.12 0.00 0.26 0.00 0.00 34.13 31.09 1ul7 s GLU 65 CO -0.20 0.61 0.42 0.08 -0.54 0.00 0.00 175.26 175.62 1ul7 s VAL 66 N -0.66 4.70 0.20 3.70 1.01 -0.73 -0.42 120.40 128.20 1ul7 s VAL 66 Ca 0.18 -1.62 -0.01 0.00 0.00 0.00 0.00 61.98 60.53 1ul7 s VAL 66 Cb -0.14 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1ul7 s VAL 66 CO 0.07 -0.81 0.12 0.00 0.00 0.00 0.00 175.10 174.49 1ul7 s LYS 68 N -4.15 4.47 0.47 0.00 1.02 -1.26 -2.30 119.74 118.00 1ul7 s LYS 68 Ca 0.38 1.41 -0.24 0.00 0.02 0.00 0.00 55.97 57.54 1ul7 s LYS 68 Cb 0.07 -3.51 -0.07 0.00 -0.52 0.00 0.00 37.83 33.80 1ul7 s LYS 68 CO 0.12 -0.22 1.38 -0.51 -0.92 0.00 0.00 175.35 175.20 1ul7 s LEU 69 N 1.64 4.04 0.06 3.17 1.43 -0.42 -4.95 118.68 123.65 1ul7 s LEU 69 Ca 0.50 2.81 -0.18 0.00 -1.03 0.00 0.00 54.13 56.23 1ul7 s LEU 69 Cb -0.19 -4.05 -0.12 0.00 0.03 0.00 0.00 46.19 41.86 1ul7 s LEU 69 CO 0.22 -1.25 1.37 1.55 0.23 0.00 0.00 176.35 178.48 1ul7 h PRO 70 N 2.09 0.49 0.11 1.29 0.13 -1.95 -3.37 132.00 130.79 1ul7 h PRO 70 Ca -0.51 -0.26 -0.01 0.00 -0.87 0.00 0.00 66.00 64.36 1ul7 h PRO 70 Cb 1.27 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1ul7 h PRO 70 CO 0.60 0.84 -0.05 0.00 -0.23 0.00 0.00 178.00 179.15 1ul7 h ARG 71 N 0.17 -0.14 -7.78 0.86 3.08 -1.99 -3.47 114.38 105.10 1ul7 h ARG 71 Ca 0.03 0.01 -0.43 0.00 0.07 0.00 0.00 59.98 59.66 1ul7 h ARG 71 Cb 0.74 0.03 0.18 0.00 0.08 0.00 0.00 29.97 31.01 1ul7 h ARG 71 CO 0.05 -0.09 0.37 -0.51 -1.07 0.00 0.00 179.97 178.72 1ul7 s LEU 72 N -5.65 2.34 -0.59 3.04 1.02 -1.26 -5.02 118.68 112.57 1ul7 s LEU 72 Ca -0.02 0.22 0.05 0.00 0.02 0.00 0.00 54.13 54.40 1ul7 s LEU 72 Cb 0.00 -2.11 0.35 0.00 0.02 0.00 0.00 46.19 44.45 1ul7 s LEU 72 CO 0.06 -3.17 1.05 -0.24 0.02 0.00 0.00 176.35 174.07 1ul7 n SER 73 N -4.05 4.76 -3.81 2.29 2.88 -1.26 -4.41 113.62 110.03 1ul7 n SER 73 Ca 0.16 -3.70 -0.11 0.00 -1.33 0.00 0.00 58.87 53.90 1ul7 n SER 73 Cb 0.59 -0.59 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 1ul7 n SER 73 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1ul7 s LEU 74 N -3.55 1.15 -0.76 2.46 1.02 -1.26 -5.00 118.68 112.73 1ul7 s LEU 74 Ca 0.48 -0.26 -0.23 0.00 0.02 0.00 0.00 54.13 54.14 1ul7 s LEU 74 Cb 0.30 1.12 0.07 0.00 0.02 0.00 0.00 46.19 47.70 1ul7 s LEU 74 CO -0.15 -0.56 1.12 0.20 0.02 0.00 0.00 176.35 176.97 1ul7 s ASN 75 N -2.00 6.28 0.41 2.29 0.01 -0.70 -1.31 114.94 119.93 1ul7 s ASN 75 Ca -0.06 -1.10 0.04 0.00 -0.71 0.00 0.00 52.86 51.03 1ul7 s ASN 75 Cb -0.02 -2.46 0.00 0.00 0.41 0.00 0.00 41.25 39.18 1ul7 s ASN 75 CO -0.03 -1.47 0.58 -0.83 -1.51 0.00 0.00 177.10 173.84 1ul7 s GLY 76 N 3.84 1.65 -0.26 0.66 0.00 -0.97 -3.42 107.32 108.82 1ul7 s GLY 76 Ca 0.29 -1.34 -0.22 0.00 0.00 0.00 0.00 44.72 43.45 1ul7 s GLY 76 CO 0.06 -1.19 0.73 0.14 0.00 0.00 0.00 173.10 172.83 1ul7 s VAL 77 N -2.39 4.90 -0.41 1.40 1.01 -1.25 -3.46 120.40 120.19 1ul7 s VAL 77 Ca 0.49 1.29 -0.19 0.00 0.00 0.00 0.00 61.98 63.57 1ul7 s VAL 77 Cb -0.10 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.26 1ul7 s VAL 77 CO 0.34 -0.06 0.52 -0.13 0.00 0.00 0.00 175.10 175.78 1ul7 s ARG 78 N 2.70 3.27 -0.01 2.72 0.52 0.44 -4.92 118.95 123.68 1ul7 s ARG 78 Ca 0.30 -0.50 -0.19 0.00 -0.52 0.00 0.00 55.73 54.82 1ul7 s ARG 78 Cb -0.15 -3.93 -0.05 0.00 0.52 0.00 0.00 34.95 31.34 1ul7 s ARG 78 CO 0.09 -0.86 0.54 -0.06 0.02 0.00 0.00 175.30 175.03 1ul7 s PHE 79 N 2.43 3.68 -0.20 -0.53 0.40 -1.26 -0.90 117.98 121.61 1ul7 s PHE 79 Ca 0.17 1.13 -0.04 0.00 -0.60 0.00 0.00 56.93 57.59 1ul7 s PHE 79 Cb -0.16 -2.53 0.07 0.00 0.51 0.00 0.00 43.02 40.91 1ul7 s PHE 79 CO 0.15 0.41 0.08 0.21 0.70 0.00 0.00 175.22 176.77 1ul7 s LYS 80 N -0.36 0.31 0.82 0.44 2.36 -0.86 -4.98 119.74 117.48 1ul7 s LYS 80 Ca 0.29 -0.31 -0.13 0.00 -2.55 0.00 0.00 55.97 53.27 1ul7 s LYS 80 Cb -0.18 -1.85 0.09 0.00 -1.05 0.00 0.00 37.83 34.84 1ul7 s LYS 80 CO 0.16 -0.72 1.19 0.50 1.55 0.00 0.00 175.35 178.03 1ul7 s ARG 81 N 2.01 1.57 0.09 4.03 3.52 -1.26 -1.66 118.95 127.25 1ul7 s ARG 81 Ca 0.02 1.70 0.00 0.00 -0.13 0.00 0.00 55.73 57.33 1ul7 s ARG 81 Cb -0.16 -1.77 0.00 0.00 -1.56 0.00 0.00 34.95 31.45 1ul7 s ARG 81 CO -0.13 -2.25 0.00 -0.89 -0.81 0.00 0.00 175.30 171.22 1ul7 n ILE 82 N -3.43 0.39 -4.17 4.11 2.08 -0.24 -4.86 119.36 113.23 1ul7 n ILE 82 Ca 0.13 0.13 -0.12 0.00 0.56 0.00 0.00 62.75 63.45 1ul7 n ILE 82 Cb 0.51 -1.16 -0.09 0.00 -0.75 0.00 0.00 39.64 38.15 1ul7 n ILE 82 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1ul7 s SER 83 N -5.31 0.14 0.00 4.38 1.04 -1.19 -5.04 113.70 107.72 1ul7 s SER 83 Ca 0.00 -1.33 0.00 0.00 0.48 0.00 0.00 55.95 55.10 1ul7 s SER 83 Cb 0.00 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1ul7 s SER 83 CO 0.00 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.94 1ul7 n GLY 84 N -0.29 -0.69 3.91 7.32 0.00 -1.26 -4.00 105.19 110.19 1ul7 n GLY 84 Ca 0.02 -1.73 -0.28 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.25 5.07 0.17 2.61 -1.32 -1.26 -4.98 115.64 114.69 1ul7 s THR 85 Ca 0.00 -0.08 -0.16 0.00 -1.21 0.00 0.00 61.69 60.23 1ul7 s THR 85 Cb 0.00 -3.74 0.10 0.00 -1.51 0.00 0.00 72.50 67.34 1ul7 s THR 85 CO 0.00 -0.31 1.67 -1.28 -2.21 0.00 0.00 174.62 172.49 1ul7 h SER 86 N 1.66 -0.34 -0.58 8.08 0.87 -1.99 -2.01 113.55 119.25 1ul7 h SER 86 Ca -0.48 0.12 0.05 0.00 -1.23 0.00 0.00 61.79 60.25 1ul7 h SER 86 Cb 1.19 0.24 -0.07 0.00 -0.44 0.00 0.00 62.40 63.32 1ul7 h SER 86 CO 0.66 -0.12 -0.34 -0.38 -0.53 0.00 0.00 176.83 176.12 1ul7 n ILE 87 N -5.29 -0.39 0.07 2.23 5.41 -1.26 -0.24 119.36 119.89 1ul7 n ILE 87 Ca 0.03 1.93 -0.12 0.00 1.00 0.00 0.00 62.75 65.59 1ul7 n ILE 87 Cb 0.23 -2.43 -0.05 0.00 -0.71 0.00 0.00 39.64 36.67 1ul7 n ILE 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ul7 h ALA 88 N -0.06 -0.18 -0.53 -1.39 0.00 -1.90 -1.83 119.26 113.36 1ul7 h ALA 88 Ca 0.09 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1ul7 h ALA 88 Cb 0.24 0.21 -0.10 0.00 0.00 0.00 0.00 17.79 18.14 1ul7 h ALA 88 CO -0.54 -0.64 -0.51 0.35 0.00 0.00 0.00 179.25 177.91 1ul7 h PHE 89 N -0.24 -1.54 -0.16 0.00 3.57 -0.32 -1.05 116.94 117.20 1ul7 h PHE 89 Ca 0.03 0.09 0.05 0.00 3.53 0.00 0.00 57.97 61.66 1ul7 h PHE 89 Cb 0.27 0.74 -0.05 0.00 2.79 0.00 0.00 35.95 39.71 1ul7 h PHE 89 CO -0.17 -0.45 -0.16 -0.22 -2.23 0.00 0.00 178.31 175.08 1ul7 h LYS 90 N -0.29 -0.17 0.00 1.11 3.64 -0.46 0.34 116.57 120.74 1ul7 h LYS 90 Ca 0.13 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1ul7 h LYS 90 Cb 0.57 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1ul7 h LYS 90 CO -0.67 -0.12 0.00 0.09 -2.27 0.00 0.00 179.45 176.49 1ul7 n ASN 91 N -5.31 0.00 -0.16 4.20 3.02 -0.49 0.72 115.26 117.24 1ul7 n ASN 91 Ca -0.02 0.75 0.17 0.00 -0.03 0.00 0.00 54.58 55.45 1ul7 n ASN 91 Cb 0.22 -0.25 0.53 0.00 -0.61 0.00 0.00 39.78 39.68 1ul7 n ASN 91 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1ul7 h ILE 92 N 0.00 0.76 -0.47 2.41 6.09 -1.30 0.77 117.51 125.77 1ul7 h ILE 92 Ca 0.00 -0.12 -0.04 0.00 -1.37 0.00 0.00 64.86 63.33 1ul7 h ILE 92 Cb 0.00 0.37 -0.02 0.00 0.47 0.00 0.00 36.82 37.64 1ul7 h ILE 92 CO 0.00 0.06 0.12 0.00 -3.07 0.00 0.00 178.15 175.26 1ul7 h ALA 93 N 1.64 1.32 0.00 0.18 0.00 0.86 -1.74 119.26 121.53 1ul7 h ALA 93 Ca 0.38 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1ul7 h ALA 93 Cb 0.96 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1ul7 h ALA 93 CO -0.11 0.48 -0.02 0.77 0.00 0.00 0.00 179.25 180.37 1ul7 h SER 94 N 0.69 0.00 0.04 0.00 0.02 0.28 -2.15 113.55 112.43 1ul7 h SER 94 Ca 0.16 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.91 1ul7 h SER 94 Cb 0.26 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.81 1ul7 h SER 94 CO -0.00 0.02 -0.81 0.11 -1.14 0.00 0.00 176.83 175.01 1ul7 h LYS 95 N 0.00 0.48 0.25 3.45 1.79 -1.29 -3.13 116.57 118.12 1ul7 h LYS 95 Ca -0.00 -0.57 -0.01 0.00 -2.18 0.00 0.00 60.65 57.89 1ul7 h LYS 95 Cb 0.23 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 1ul7 h LYS 95 CO 0.00 1.21 -0.12 0.82 -1.08 0.00 0.00 179.45 180.28 1ul7 h ILE 96 N 0.00 0.00 -0.95 1.86 1.08 -1.39 -0.55 117.51 117.56 1ul7 h ILE 96 Ca -0.11 -0.23 0.19 0.00 -0.39 0.00 0.00 64.86 64.32 1ul7 h ILE 96 Cb 1.52 0.00 -0.18 0.00 -3.07 0.00 0.00 36.82 35.09 1ul7 h ILE 96 CO 0.16 0.00 -0.24 0.00 -0.69 0.00 0.00 178.15 177.37 1ul7 n ALA 97 N -2.34 0.21 0.14 1.87 0.00 -0.85 -0.02 120.51 119.53 1ul7 n ALA 97 Ca -0.04 1.04 -0.06 0.00 0.00 0.00 0.00 53.44 54.38 1ul7 n ALA 97 Cb 0.13 -0.62 -0.03 0.00 0.00 0.00 0.00 19.45 18.93 1ul7 n ALA 97 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1ul7 h ASN 98 N 0.00 -0.32 -0.98 0.00 -0.73 -1.62 -3.31 115.58 108.63 1ul7 h ASN 98 Ca 0.45 0.01 0.11 0.00 1.87 0.00 0.00 56.30 58.75 1ul7 h ASN 98 Cb 0.69 0.08 -0.13 0.00 0.27 0.00 0.00 38.32 39.23 1ul7 h ASN 98 CO -0.98 -0.15 -0.51 -0.33 -0.37 0.00 0.00 177.43 175.09 1ul7 h GLU 99 N -0.52 -0.01 -4.33 6.67 4.39 -0.26 -3.41 114.58 117.11 1ul7 h GLU 99 Ca -0.04 0.00 -0.63 0.00 0.34 0.00 0.00 59.36 59.04 1ul7 h GLU 99 Cb 0.29 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1ul7 h GLU 99 CO 0.06 -0.01 0.43 1.28 -1.16 0.00 0.00 179.01 179.61 1ul7 n LEU 100 N -5.34 0.74 -2.23 1.33 4.77 0.98 -4.80 117.00 112.45 1ul7 n LEU 100 Ca 0.05 0.86 -0.29 0.00 -0.03 0.00 0.00 56.01 56.60 1ul7 n LEU 100 Cb 0.32 -0.64 0.12 0.00 -2.33 0.00 0.00 43.42 40.88 1ul7 n LEU 100 CO -0.14 -0.72 1.35 0.29 -1.33 0.00 0.00 177.39 176.84 1ul7 n LYS 101 N 2.62 2.42 0.00 3.23 5.02 -1.26 -4.98 118.16 125.21 1ul7 n LYS 101 Ca 0.21 -3.00 0.08 0.00 -2.02 0.00 0.00 58.31 53.58 1ul7 n LYS 101 Cb -0.03 -2.18 0.46 0.00 -0.02 0.00 0.00 35.03 33.27 1ul7 n LYS 101 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16