#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ul7 s SER 2 N 0.00 7.00 -1.50 1.61 0.01 -1.26 -3.73 113.70 115.83 1ul7 s SER 2 Ca 0.00 1.22 -0.12 0.00 1.31 0.00 0.00 55.95 58.37 1ul7 s SER 2 Cb 0.00 -2.52 0.07 0.00 0.21 0.00 0.00 66.02 63.78 1ul7 s SER 2 CO 0.00 -0.68 0.93 -1.20 0.41 0.00 0.00 173.24 172.70 1ul7 n SER 3 N 6.37 -4.18 0.00 2.44 7.64 -1.26 -2.83 113.62 121.80 1ul7 n SER 3 Ca 0.11 -0.79 0.00 0.00 1.01 0.00 0.00 58.87 59.20 1ul7 n SER 3 Cb 0.47 -3.89 0.00 0.00 -1.01 0.00 0.00 64.21 59.77 1ul7 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ul7 n GLY 4 N -1.68 2.69 3.49 0.23 0.00 -1.24 -5.02 105.19 103.64 1ul7 n GLY 4 Ca -0.02 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 45.08 1ul7 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ul7 s SER 5 N 0.00 -0.48 -0.93 1.61 1.04 -1.13 -4.64 113.70 109.16 1ul7 s SER 5 Ca 0.00 0.16 -0.24 0.00 0.48 0.00 0.00 55.95 56.35 1ul7 s SER 5 Cb 0.00 0.47 -0.01 0.00 0.10 0.00 0.00 66.02 66.58 1ul7 s SER 5 CO 0.00 -0.70 1.76 -0.44 0.98 0.00 0.00 173.24 174.84 1ul7 s SER 6 N -2.20 5.63 0.00 7.02 0.01 -1.26 -4.16 113.70 118.74 1ul7 s SER 6 Ca 0.00 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 56.35 1ul7 s SER 6 Cb -0.01 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1ul7 s SER 6 CO -0.06 -2.30 0.00 0.61 0.41 0.00 0.00 173.24 171.90 1ul7 n GLY 7 N 6.82 0.90 3.68 3.44 0.00 -1.26 -5.05 105.19 113.71 1ul7 n GLY 7 Ca 0.37 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 4.25 -0.15 1.61 0.52 -1.26 -4.93 118.95 118.99 1ul7 s ARG 8 Ca 0.00 1.97 -0.18 0.00 -0.52 0.00 0.00 55.73 57.00 1ul7 s ARG 8 Cb 0.00 -3.72 -0.15 0.00 0.52 0.00 0.00 34.95 31.60 1ul7 s ARG 8 CO 0.00 -0.67 0.29 0.74 0.02 0.00 0.00 175.30 175.68 1ul7 h PHE 9 N 8.35 0.00 -4.04 -0.53 0.04 -1.98 -3.47 116.94 115.30 1ul7 h PHE 9 Ca -0.36 0.00 -0.69 0.00 2.80 0.00 0.00 57.97 59.72 1ul7 h PHE 9 Cb 1.16 0.00 -0.23 0.00 2.20 0.00 0.00 35.95 39.08 1ul7 h PHE 9 CO 0.80 0.79 -0.87 0.95 -0.60 0.00 0.00 178.31 179.37 1ul7 s THR 10 N -2.13 2.24 1.07 -1.55 -4.23 -1.26 -5.12 115.64 104.65 1ul7 s THR 10 Ca -0.18 -1.63 -0.22 0.00 -1.18 0.00 0.00 61.69 58.49 1ul7 s THR 10 Cb 0.01 -1.95 -0.01 0.00 1.34 0.00 0.00 72.50 71.89 1ul7 s THR 10 CO 0.45 0.18 -0.55 -2.67 -0.54 0.00 0.00 174.62 171.49 1ul7 n TRP 11 N 1.20 -1.51 -4.30 3.99 2.14 -1.26 -5.03 117.44 112.66 1ul7 n TRP 11 Ca -0.18 0.32 -0.16 0.00 2.07 0.00 0.00 57.50 59.56 1ul7 n TRP 11 Cb 0.53 -1.50 -0.10 0.00 -0.81 0.00 0.00 31.31 29.42 1ul7 n TRP 11 CO 0.00 0.00 0.00 -1.54 2.07 0.00 0.00 177.69 178.22 1ul7 s SER 12 N -1.53 1.27 -0.07 -0.67 1.04 -1.26 -5.13 113.70 107.35 1ul7 s SER 12 Ca 0.49 -1.32 -0.31 0.00 0.48 0.00 0.00 55.95 55.29 1ul7 s SER 12 Cb -0.04 0.14 0.11 0.00 0.10 0.00 0.00 66.02 66.33 1ul7 s SER 12 CO 0.67 -0.67 0.98 0.00 0.98 0.00 0.00 173.24 175.20 1ul7 s MET 13 N -3.99 0.66 0.00 4.02 0.23 -1.26 -4.95 119.30 114.01 1ul7 s MET 13 Ca 0.34 -0.22 0.00 0.00 -1.03 0.00 0.00 55.69 54.77 1ul7 s MET 13 Cb 0.07 0.31 0.00 0.00 -1.53 0.00 0.00 34.83 33.68 1ul7 s MET 13 CO 0.11 -0.29 0.50 0.36 -2.03 0.00 0.00 175.02 173.68 1ul7 n LYS 14 N -0.15 0.41 -1.96 3.16 2.85 -1.26 -4.85 118.16 116.36 1ul7 n LYS 14 Ca -0.06 -0.63 -0.37 0.00 -1.05 0.00 0.00 58.31 56.19 1ul7 n LYS 14 Cb 0.61 -0.79 -0.01 0.00 -0.65 0.00 0.00 35.03 34.18 1ul7 n LYS 14 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1ul7 n THR 15 N -0.12 4.92 -2.85 0.58 -1.04 -1.26 -4.98 114.28 109.52 1ul7 n THR 15 Ca 0.00 -4.25 -0.35 0.00 -2.04 0.00 0.00 64.05 57.41 1ul7 n THR 15 Cb 0.21 -1.90 -0.07 0.00 -1.82 0.00 0.00 70.33 66.76 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 -1.84 4.35 0.28 12.58 -4.23 -1.26 -4.15 115.64 121.37 1ul7 s THR 16 Ca 0.53 1.57 0.10 0.00 -1.18 0.00 0.00 61.69 62.71 1ul7 s THR 16 Cb 0.23 -3.80 -0.05 0.00 1.34 0.00 0.00 72.50 70.22 1ul7 s THR 16 CO -0.13 -0.07 -0.15 -0.55 -0.54 0.00 0.00 174.62 173.18 1ul7 s SER 17 N -1.91 3.35 -0.64 3.99 0.15 -0.24 -4.96 113.70 113.44 1ul7 s SER 17 Ca 0.55 -1.09 0.05 0.00 0.70 0.00 0.00 55.95 56.16 1ul7 s SER 17 Cb -0.14 -0.27 0.18 0.00 -1.71 0.00 0.00 66.02 64.09 1ul7 s SER 17 CO 0.19 -0.10 0.51 -1.54 1.20 0.00 0.00 173.24 173.50 1ul7 n SER 18 N -0.62 2.47 -3.65 5.45 3.41 -1.26 -1.43 113.62 117.99 1ul7 n SER 18 Ca -0.06 -3.10 -0.00 0.00 -0.26 0.00 0.00 58.87 55.45 1ul7 n SER 18 Cb 0.61 -0.71 -0.00 0.00 -0.26 0.00 0.00 64.21 63.85 1ul7 n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ul7 s MET 19 N -1.37 0.76 0.59 4.33 0.23 -1.26 -5.05 119.30 117.53 1ul7 s MET 19 Ca 0.29 -0.44 -0.20 0.00 -1.03 0.00 0.00 55.69 54.31 1ul7 s MET 19 Cb 0.01 0.25 -0.03 0.00 -1.53 0.00 0.00 34.83 33.53 1ul7 s MET 19 CO -0.15 -0.35 1.30 -0.51 -2.03 0.00 0.00 175.02 173.28 1ul7 s ASP 20 N -3.09 5.02 0.13 -1.18 1.01 -1.26 -4.71 116.67 112.59 1ul7 s ASP 20 Ca 0.16 2.62 -0.12 0.00 0.71 0.00 0.00 52.55 55.92 1ul7 s ASP 20 Cb 0.02 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.27 1ul7 s ASP 20 CO -0.01 -1.73 1.46 1.55 0.21 0.00 0.00 175.17 176.66 1ul7 h PRO 21 N 1.01 0.90 -0.20 8.23 0.13 -1.98 -2.99 132.00 137.09 1ul7 h PRO 21 Ca -0.51 -0.47 0.06 0.00 -0.87 0.00 0.00 66.00 64.21 1ul7 h PRO 21 Cb 1.31 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 1ul7 h PRO 21 CO 0.55 1.12 0.61 1.03 -0.23 0.00 0.00 178.00 181.08 1ul7 h SER 22 N 0.70 0.00 0.20 1.44 0.87 -2.01 0.48 113.55 115.23 1ul7 h SER 22 Ca 0.06 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.27 1ul7 h SER 22 Cb 0.96 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.88 1ul7 h SER 22 CO 0.09 0.00 -2.02 0.47 -0.53 0.00 0.00 176.83 174.84 1ul7 n ASP 23 N -3.01 1.60 0.12 6.23 8.00 -1.14 -4.29 116.55 124.07 1ul7 n ASP 23 Ca 0.03 0.20 -0.12 0.00 0.71 0.00 0.00 54.79 55.61 1ul7 n ASP 23 Cb 0.70 -0.43 -0.07 0.00 -0.02 0.00 0.00 41.12 41.30 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 0.04 -0.56 -1.00 -1.24 2.86 -0.01 -0.94 114.93 114.08 1ul7 h MET 24 Ca -0.42 0.04 0.39 0.00 -2.06 0.00 0.00 59.70 57.65 1ul7 h MET 24 Cb 2.03 0.13 -0.18 0.00 0.06 0.00 0.00 31.60 33.64 1ul7 h MET 24 CO 0.06 -0.37 0.48 0.52 1.06 0.00 0.00 176.91 178.65 1ul7 h MET 25 N -0.58 0.04 0.37 1.72 2.86 -1.72 0.31 114.93 117.93 1ul7 h MET 25 Ca -0.02 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1ul7 h MET 25 Cb 0.55 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.20 1ul7 h MET 25 CO -0.14 0.02 -0.18 -0.09 1.06 0.00 0.00 176.91 177.59 1ul7 h ARG 26 N 0.04 -0.48 -0.06 1.72 2.43 -1.50 -2.83 114.38 113.70 1ul7 h ARG 26 Ca 0.80 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 60.03 1ul7 h ARG 26 Cb 2.05 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 31.68 1ul7 h ARG 26 CO -0.77 -0.18 -0.11 1.49 -1.51 0.00 0.00 179.97 178.89 1ul7 h GLU 27 N -0.80 -0.15 -0.56 0.20 4.57 0.74 -1.42 114.58 117.16 1ul7 h GLU 27 Ca -0.05 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.22 1ul7 h GLU 27 Cb 0.53 0.03 -0.10 0.00 -0.16 0.00 0.00 28.75 29.05 1ul7 h GLU 27 CO 0.08 -0.10 -0.48 0.82 -1.18 0.00 0.00 179.01 178.15 1ul7 h ILE 28 N -0.16 0.05 -0.78 2.32 2.04 -0.63 0.10 117.51 120.46 1ul7 h ILE 28 Ca 0.06 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.97 1ul7 h ILE 28 Cb 0.24 0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 36.32 1ul7 h ILE 28 CO -0.15 0.00 0.48 0.03 0.00 0.00 0.00 178.15 178.51 1ul7 h ARG 29 N -0.26 0.88 -0.47 2.37 3.08 -1.29 -1.33 114.38 117.36 1ul7 h ARG 29 Ca 0.15 -0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.21 1ul7 h ARG 29 Cb 0.56 -0.20 -0.06 0.00 0.08 0.00 0.00 29.97 30.36 1ul7 h ARG 29 CO -0.68 0.58 0.15 -0.22 -1.07 0.00 0.00 179.97 178.73 1ul7 h LYS 30 N 0.90 0.30 0.37 0.04 3.64 0.22 -1.18 116.57 120.86 1ul7 h LYS 30 Ca 0.33 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.67 1ul7 h LYS 30 Cb 0.11 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1ul7 h LYS 30 CO -0.15 0.20 -0.18 0.28 -2.27 0.00 0.00 179.45 177.34 1ul7 h VAL 31 N 0.31 0.63 -0.56 2.00 2.07 -0.36 -3.02 116.25 117.31 1ul7 h VAL 31 Ca 0.22 -0.37 0.11 0.00 0.82 0.00 0.00 66.70 67.48 1ul7 h VAL 31 Cb 0.24 0.82 -0.11 0.00 -1.52 0.00 0.00 31.29 30.72 1ul7 h VAL 31 CO -0.24 0.07 -0.29 -0.07 0.02 0.00 0.00 177.57 177.06 1ul7 h LEU 32 N -0.71 -0.99 -1.50 2.57 3.38 -1.04 0.28 115.31 117.30 1ul7 h LEU 32 Ca -0.05 0.21 0.22 0.00 0.09 0.00 0.00 57.88 58.35 1ul7 h LEU 32 Cb 0.50 0.51 -0.07 0.00 0.09 0.00 0.00 40.66 41.69 1ul7 h LEU 32 CO 0.08 -0.28 0.62 1.23 0.09 0.00 0.00 178.44 180.18 1ul7 h GLY 33 N -0.14 0.91 1.67 0.83 0.00 -1.21 0.21 103.07 105.33 1ul7 h GLY 33 Ca 0.24 -0.18 -0.15 0.00 0.00 0.00 0.00 47.33 47.24 1ul7 h GLY 33 CO -0.65 -0.03 -0.57 0.00 0.00 0.00 0.00 176.54 175.30 1ul7 h ALA 34 N 1.61 0.82 -0.48 3.60 0.00 -0.35 -3.01 119.26 121.44 1ul7 h ALA 34 Ca 0.49 -0.52 -0.26 0.00 0.00 0.00 0.00 54.91 54.62 1ul7 h ALA 34 Cb 1.26 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.82 1ul7 h ALA 34 CO -0.19 0.70 0.33 0.09 0.00 0.00 0.00 179.25 180.18 1ul7 n ASN 35 N -3.91 3.72 -2.18 0.00 3.02 0.58 -4.83 115.26 111.66 1ul7 n ASN 35 Ca -0.03 -2.81 -0.06 0.00 -0.03 0.00 0.00 54.58 51.65 1ul7 n ASN 35 Cb 0.60 -0.71 -0.01 0.00 -0.61 0.00 0.00 39.78 39.05 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 -0.22 -2.34 -4.83 6.41 3.02 -1.12 -4.89 115.26 111.29 1ul7 n ASN 36 Ca 0.29 0.30 -0.36 0.00 -0.03 0.00 0.00 54.58 54.78 1ul7 n ASN 36 Cb 1.01 -2.14 -0.06 0.00 -0.61 0.00 0.00 39.78 37.98 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 -1.66 5.82 0.05 0.00 1.11 -0.40 -4.18 116.67 117.42 1ul7 s ASP 38 Ca 0.40 -0.67 0.03 0.00 0.18 0.00 0.00 52.55 52.49 1ul7 s ASP 38 Cb -0.16 -2.07 -0.04 0.00 1.07 0.00 0.00 42.92 41.72 1ul7 s ASP 38 CO 0.20 -0.29 0.01 -0.72 1.18 0.00 0.00 175.17 175.55 1ul7 s TYR 39 N 1.64 3.05 -0.02 4.23 1.13 -1.26 -0.12 117.35 126.00 1ul7 s TYR 39 Ca 0.04 0.03 -0.01 0.00 -1.41 0.00 0.00 57.07 55.72 1ul7 s TYR 39 Cb -0.18 -1.60 0.01 0.00 -1.10 0.00 0.00 41.96 39.09 1ul7 s TYR 39 CO 0.08 0.48 0.05 -1.21 -2.51 0.00 0.00 175.55 172.44 1ul7 s GLU 40 N -2.02 0.05 -0.61 -3.49 2.02 -0.85 -4.88 118.70 108.91 1ul7 s GLU 40 Ca 0.24 0.09 -0.26 0.00 0.02 0.00 0.00 54.97 55.06 1ul7 s GLU 40 Cb -0.12 -0.01 -0.03 0.00 0.10 0.00 0.00 34.13 34.07 1ul7 s GLU 40 CO 0.16 -0.03 1.91 -1.14 0.02 0.00 0.00 175.26 176.17 1ul7 s GLN 41 N 0.19 2.58 -0.02 1.61 -0.44 -1.26 0.20 119.66 122.51 1ul7 s GLN 41 Ca -0.01 0.65 -0.01 0.00 -2.50 0.00 0.00 55.36 53.49 1ul7 s GLN 41 Cb -0.02 -4.42 -0.00 0.00 -1.64 0.00 0.00 33.01 26.92 1ul7 s GLN 41 CO -0.01 -2.80 -0.02 0.00 0.50 0.00 0.00 175.29 172.96 1ul7 h ARG 42 N 15.26 0.00 0.00 1.67 2.47 -1.26 -3.48 114.38 129.04 1ul7 h ARG 42 Ca -0.25 0.00 -0.61 0.00 -1.26 0.00 0.00 59.98 57.86 1ul7 h ARG 42 Cb 1.17 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 29.40 1ul7 h ARG 42 CO 1.21 0.00 -0.38 0.39 0.56 0.00 0.00 179.97 181.75 1ul7 n GLU 43 N -2.56 0.75 -0.25 0.04 1.02 0.99 -4.95 120.64 115.68 1ul7 n GLU 43 Ca -0.01 -3.51 0.05 0.00 -0.02 0.00 0.00 57.16 53.67 1ul7 n GLU 43 Cb 0.03 0.70 0.16 0.00 -0.02 0.00 0.00 31.44 32.31 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 0.15 -0.32 3.49 1.12 -2.02 -2.74 114.38 114.05 1ul7 h ARG 44 Ca -0.38 -0.01 -0.26 0.00 -1.11 0.00 0.00 59.98 58.22 1ul7 h ARG 44 Cb 1.25 -0.03 -0.31 0.00 -0.01 0.00 0.00 29.97 30.86 1ul7 h ARG 44 CO 0.62 0.10 -0.87 1.19 -3.11 0.00 0.00 179.97 177.89 1ul7 n PHE 45 N -5.28 1.10 -4.01 2.20 3.72 -1.26 -5.04 117.46 108.90 1ul7 n PHE 45 Ca 0.13 -1.65 -0.18 0.00 -0.05 0.00 0.00 57.45 55.71 1ul7 n PHE 45 Cb 0.46 -0.25 -0.16 0.00 -0.94 0.00 0.00 39.48 38.59 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 -2.77 1.25 0.35 4.37 2.96 -1.03 -3.55 118.68 120.26 1ul7 s LEU 46 Ca 0.38 -0.06 0.09 0.00 -0.22 0.00 0.00 54.13 54.32 1ul7 s LEU 46 Cb 0.37 -0.28 -0.06 0.00 0.50 0.00 0.00 46.19 46.72 1ul7 s LEU 46 CO -0.05 -0.08 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.11 1ul7 s LEU 47 N 0.93 2.88 -0.41 -0.68 1.43 -0.97 -0.01 118.68 121.87 1ul7 s LEU 47 Ca -0.10 -1.09 -0.01 0.00 -1.03 0.00 0.00 54.13 51.89 1ul7 s LEU 47 Cb -0.13 -1.20 0.11 0.00 0.03 0.00 0.00 46.19 45.00 1ul7 s LEU 47 CO -0.01 -0.24 0.18 0.12 0.23 0.00 0.00 176.35 176.63 1ul7 s PHE 48 N -2.56 3.61 0.36 0.29 5.36 0.13 -2.70 117.98 122.47 1ul7 s PHE 48 Ca 0.34 -2.59 -0.20 0.00 -0.96 0.00 0.00 56.93 53.52 1ul7 s PHE 48 Cb 0.01 -3.15 -0.10 0.00 -0.34 0.00 0.00 43.02 39.45 1ul7 s PHE 48 CO 0.18 -0.96 0.86 0.00 -1.46 0.00 0.00 175.22 173.85 1ul7 s VAL 50 N -1.96 -0.06 -0.15 0.00 1.01 0.83 -1.97 120.40 118.11 1ul7 s VAL 50 Ca 0.56 0.18 -0.15 0.00 0.00 0.00 0.00 61.98 62.57 1ul7 s VAL 50 Cb -0.12 -0.27 0.04 0.00 0.00 0.00 0.00 36.38 36.03 1ul7 s VAL 50 CO 0.17 0.07 0.42 -2.28 0.00 0.00 0.00 175.10 173.48 1ul7 s HIS 51 N 1.23 -0.45 -0.64 5.22 2.46 -0.80 -1.28 115.29 121.04 1ul7 s HIS 51 Ca -0.09 1.09 0.04 0.00 0.47 0.00 0.00 55.06 56.56 1ul7 s HIS 51 Cb -0.11 0.16 0.35 0.00 -0.13 0.00 0.00 32.58 32.84 1ul7 s HIS 51 CO -0.06 -0.23 1.16 0.41 -2.47 0.00 0.00 174.74 173.55 1ul7 n GLY 52 N 2.76 5.77 0.35 1.59 0.00 -1.26 -1.08 105.19 113.31 1ul7 n GLY 52 Ca -0.14 -2.74 0.31 0.00 0.00 0.00 0.00 46.02 43.46 1ul7 n GLY 52 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ul7 h ASP 53 N 3.10 0.35 0.00 1.61 3.32 -1.95 -3.38 116.42 119.47 1ul7 h ASP 53 Ca 0.24 0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.52 1ul7 h ASP 53 Cb 0.52 0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1ul7 h ASP 53 CO 0.91 -0.34 0.00 0.61 -1.72 0.00 0.00 179.24 178.70 1ul7 n GLY 54 N -1.31 0.45 3.89 2.75 0.00 -1.26 -5.12 105.19 104.59 1ul7 n GLY 54 Ca 0.37 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.18 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 2.94 2.78 0.16 1.61 3.76 -1.26 -4.98 115.29 120.30 1ul7 s HIS 55 Ca 0.00 -0.43 -0.18 0.00 -0.15 0.00 0.00 55.06 54.30 1ul7 s HIS 55 Cb 0.00 -2.10 0.06 0.00 1.11 0.00 0.00 32.58 31.65 1ul7 s HIS 55 CO 0.00 -0.07 1.67 0.00 -0.85 0.00 0.00 174.74 175.48 1ul7 h ALA 56 N 1.04 0.18 0.00 -1.40 0.00 -2.00 0.39 119.26 117.47 1ul7 h ALA 56 Ca -0.42 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1ul7 h ALA 56 Cb 1.26 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1ul7 h ALA 56 CO 0.56 -0.49 0.00 -0.85 0.00 0.00 0.00 179.25 178.47 1ul7 n GLU 57 N -5.30 0.21 -2.45 0.00 0.28 -1.26 -2.39 120.64 109.73 1ul7 n GLU 57 Ca 0.01 0.13 -0.16 0.00 -0.16 0.00 0.00 57.16 56.98 1ul7 n GLU 57 Cb 0.21 -1.50 0.02 0.00 1.43 0.00 0.00 31.44 31.61 1ul7 n GLU 57 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1ul7 n ASN 58 N -1.20 3.41 -4.86 -1.84 3.02 0.14 -5.08 115.26 108.85 1ul7 n ASN 58 Ca 0.06 -3.12 -0.31 0.00 -0.03 0.00 0.00 54.58 51.17 1ul7 n ASN 58 Cb 0.07 -0.44 -0.03 0.00 -0.61 0.00 0.00 39.78 38.77 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 -3.55 3.72 -0.08 3.41 2.96 -0.98 -4.20 118.68 119.96 1ul7 s LEU 59 Ca 0.40 1.39 0.05 0.00 -0.22 0.00 0.00 54.13 55.74 1ul7 s LEU 59 Cb 0.39 -4.30 -0.01 0.00 0.50 0.00 0.00 46.19 42.78 1ul7 s LEU 59 CO -0.04 -0.50 -0.24 -0.69 -1.32 0.00 0.00 176.35 173.57 1ul7 s VAL 60 N -2.50 2.13 -0.07 1.68 1.01 -0.24 -4.34 120.40 118.06 1ul7 s VAL 60 Ca 0.56 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.55 1ul7 s VAL 60 Cb -0.10 -1.80 0.01 0.00 0.00 0.00 0.00 36.38 34.49 1ul7 s VAL 60 CO 0.31 0.56 -0.14 -1.10 0.00 0.00 0.00 175.10 174.72 1ul7 s GLN 61 N 0.13 1.95 0.32 2.72 -0.21 -1.26 -1.90 119.66 121.42 1ul7 s GLN 61 Ca -0.12 -0.50 -0.03 0.00 0.02 0.00 0.00 55.36 54.73 1ul7 s GLN 61 Cb -0.16 -1.57 -0.00 0.00 1.00 0.00 0.00 33.01 32.27 1ul7 s GLN 61 CO 0.07 0.06 0.43 1.67 -2.12 0.00 0.00 175.29 175.39 1ul7 s TRP 62 N 0.61 1.04 0.38 0.91 -2.14 -0.83 -2.24 118.94 116.66 1ul7 s TRP 62 Ca -0.15 -1.26 0.04 0.00 2.66 0.00 0.00 56.10 57.38 1ul7 s TRP 62 Cb -0.16 -0.14 -0.04 0.00 -3.10 0.00 0.00 33.47 30.04 1ul7 s TRP 62 CO 0.05 -1.06 0.10 -1.21 -2.66 0.00 0.00 176.95 172.18 1ul7 s GLU 63 N -3.30 1.84 -0.13 3.25 2.02 -0.86 0.10 118.70 121.62 1ul7 s GLU 63 Ca 0.31 -2.09 -0.07 0.00 0.02 0.00 0.00 54.97 53.14 1ul7 s GLU 63 Cb 0.00 -0.69 0.05 0.00 0.10 0.00 0.00 34.13 33.59 1ul7 s GLU 63 CO 0.19 -0.39 0.31 -1.64 0.02 0.00 0.00 175.26 173.75 1ul7 s MET 64 N -3.78 0.28 0.04 1.61 -1.94 -1.10 -2.89 119.30 111.52 1ul7 s MET 64 Ca 0.27 0.62 0.03 0.00 -1.71 0.00 0.00 55.69 54.90 1ul7 s MET 64 Cb 0.04 -0.07 -0.02 0.00 2.01 0.00 0.00 34.83 36.79 1ul7 s MET 64 CO 0.14 -0.16 -0.09 -2.00 -0.01 0.00 0.00 175.02 172.91 1ul7 s GLU 65 N 1.27 0.60 -0.33 2.03 2.12 -0.60 -2.28 118.70 121.51 1ul7 s GLU 65 Ca -0.09 -0.68 -0.09 0.00 0.36 0.00 0.00 54.97 54.47 1ul7 s GLU 65 Cb -0.09 -0.47 0.02 0.00 0.26 0.00 0.00 34.13 33.84 1ul7 s GLU 65 CO -0.10 0.10 0.14 0.08 -0.54 0.00 0.00 175.26 174.95 1ul7 s VAL 66 N -1.07 4.26 0.23 3.70 1.01 -1.23 -0.35 120.40 126.95 1ul7 s VAL 66 Ca -0.05 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.15 1ul7 s VAL 66 Cb -0.08 -3.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 1ul7 s VAL 66 CO 0.01 -0.08 0.09 0.00 0.00 0.00 0.00 175.10 175.11 1ul7 s LYS 68 N -4.04 3.40 0.33 0.00 2.36 -1.26 -3.33 119.74 117.20 1ul7 s LYS 68 Ca 0.35 -0.67 -0.28 0.00 -2.55 0.00 0.00 55.97 52.83 1ul7 s LYS 68 Cb 0.07 -3.84 -0.09 0.00 -1.05 0.00 0.00 37.83 32.92 1ul7 s LYS 68 CO 0.11 -0.53 1.16 -0.48 1.55 0.00 0.00 175.35 177.16 1ul7 s LEU 69 N 1.79 4.40 0.04 5.43 2.34 -1.25 -4.97 118.68 126.47 1ul7 s LEU 69 Ca 0.07 2.36 -0.20 0.00 0.06 0.00 0.00 54.13 56.42 1ul7 s LEU 69 Cb -0.17 -3.78 -0.14 0.00 -0.56 0.00 0.00 46.19 41.53 1ul7 s LEU 69 CO 0.11 -0.40 1.35 1.55 -1.06 0.00 0.00 176.35 177.90 1ul7 h PRO 70 N 3.30 0.38 -0.08 1.48 0.13 -1.97 -3.34 132.00 131.89 1ul7 h PRO 70 Ca -0.48 -0.20 0.01 0.00 -0.87 0.00 0.00 66.00 64.46 1ul7 h PRO 70 Cb 1.22 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1ul7 h PRO 70 CO 0.65 0.76 -0.07 -0.09 -0.23 0.00 0.00 178.00 179.02 1ul7 h ARG 71 N 0.01 -0.02 -6.09 0.86 9.65 -1.99 -3.43 114.38 113.37 1ul7 h ARG 71 Ca 0.02 0.00 -0.56 0.00 -1.10 0.00 0.00 59.98 58.34 1ul7 h ARG 71 Cb 0.69 0.01 -0.09 0.00 -1.39 0.00 0.00 29.97 29.18 1ul7 h ARG 71 CO 0.04 -0.02 -0.59 -0.51 2.80 0.00 0.00 179.97 181.69 1ul7 s LEU 72 N -6.25 3.13 -1.00 3.80 1.02 -1.25 -5.04 118.68 113.09 1ul7 s LEU 72 Ca -0.02 -0.84 -0.04 0.00 0.02 0.00 0.00 54.13 53.26 1ul7 s LEU 72 Cb 0.01 -1.58 0.14 0.00 0.02 0.00 0.00 46.19 44.79 1ul7 s LEU 72 CO 0.07 -0.22 2.41 -0.24 0.02 0.00 0.00 176.35 178.40 1ul7 n SER 73 N -1.02 7.46 -4.16 2.29 2.88 -1.26 -4.35 113.62 115.46 1ul7 n SER 73 Ca -0.04 -3.27 -0.21 0.00 -1.33 0.00 0.00 58.87 54.01 1ul7 n SER 73 Cb 0.61 -1.28 -0.14 0.00 -0.75 0.00 0.00 64.21 62.65 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 -2.54 2.15 -0.55 2.46 1.43 -1.26 -5.05 118.68 115.33 1ul7 s LEU 74 Ca 0.54 -0.44 -0.24 0.00 -1.03 0.00 0.00 54.13 52.95 1ul7 s LEU 74 Cb 0.26 -0.69 0.04 0.00 0.03 0.00 0.00 46.19 45.83 1ul7 s LEU 74 CO -0.16 0.07 0.94 0.20 0.23 0.00 0.00 176.35 177.63 1ul7 s ASN 75 N -1.05 6.34 0.41 2.29 0.01 -0.51 -3.75 114.94 118.69 1ul7 s ASN 75 Ca 0.03 -0.34 0.05 0.00 -0.71 0.00 0.00 52.86 51.89 1ul7 s ASN 75 Cb -0.08 -2.43 0.05 0.00 0.41 0.00 0.00 41.25 39.20 1ul7 s ASN 75 CO 0.01 -1.21 0.44 0.61 -1.51 0.00 0.00 177.10 175.44 1ul7 n GLY 76 N 5.11 2.39 3.32 0.66 0.00 -1.21 -1.08 105.19 114.39 1ul7 n GLY 76 Ca 0.02 -2.23 -0.33 0.00 0.00 0.00 0.00 46.02 43.48 1ul7 n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ul7 s VAL 77 N -1.81 2.81 -0.30 1.61 1.01 -1.26 -3.57 120.40 118.89 1ul7 s VAL 77 Ca 0.34 -0.74 -0.14 0.00 0.00 0.00 0.00 61.98 61.44 1ul7 s VAL 77 Cb -0.03 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 1ul7 s VAL 77 CO 0.21 0.53 0.31 -0.13 0.00 0.00 0.00 175.10 176.02 1ul7 s ARG 78 N 0.45 3.82 0.06 2.72 0.52 0.53 -4.92 118.95 122.14 1ul7 s ARG 78 Ca -0.11 -0.25 -0.08 0.00 -0.52 0.00 0.00 55.73 54.78 1ul7 s ARG 78 Cb -0.16 -3.71 -0.05 0.00 0.52 0.00 0.00 34.95 31.54 1ul7 s ARG 78 CO 0.05 -0.34 0.35 -0.06 0.02 0.00 0.00 175.30 175.32 1ul7 s PHE 79 N 1.95 3.56 -0.07 -0.53 0.40 -1.26 -1.55 117.98 120.48 1ul7 s PHE 79 Ca 0.11 0.67 0.02 0.00 -0.60 0.00 0.00 56.93 57.13 1ul7 s PHE 79 Cb -0.16 -2.07 0.01 0.00 0.51 0.00 0.00 43.02 41.31 1ul7 s PHE 79 CO 0.11 0.54 -0.12 0.21 0.70 0.00 0.00 175.22 176.65 1ul7 s LYS 80 N -1.98 1.75 -0.49 0.44 2.47 -1.14 -4.95 119.74 115.85 1ul7 s LYS 80 Ca 0.32 -0.42 -0.22 0.00 -1.56 0.00 0.00 55.97 54.09 1ul7 s LYS 80 Cb -0.13 -1.45 0.04 0.00 -1.46 0.00 0.00 37.83 34.82 1ul7 s LYS 80 CO 0.18 0.02 0.74 0.50 0.16 0.00 0.00 175.35 176.95 1ul7 s ARG 81 N 0.71 3.27 -0.16 4.03 3.52 -1.26 -2.02 118.95 127.04 1ul7 s ARG 81 Ca -0.14 -0.43 -0.12 0.00 -0.13 0.00 0.00 55.73 54.90 1ul7 s ARG 81 Cb -0.16 -4.01 -0.08 0.00 -1.56 0.00 0.00 34.95 29.14 1ul7 s ARG 81 CO 0.03 -1.20 -0.02 0.82 -0.81 0.00 0.00 175.30 174.12 1ul7 h ILE 82 N 5.93 0.31 -4.83 4.11 1.08 -1.82 -3.50 117.51 118.79 1ul7 h ILE 82 Ca -0.26 -1.37 -0.53 0.00 -0.39 0.00 0.00 64.86 62.31 1ul7 h ILE 82 Cb 1.09 0.72 -0.12 0.00 -3.07 0.00 0.00 36.82 35.44 1ul7 h ILE 82 CO 0.97 0.11 -0.45 -0.24 -0.69 0.00 0.00 178.15 177.85 1ul7 n SER 83 N -4.58 1.16 -0.54 1.72 2.88 -1.11 -5.03 113.62 108.13 1ul7 n SER 83 Ca -0.14 -3.08 0.00 0.00 -1.33 0.00 0.00 58.87 54.32 1ul7 n SER 83 Cb 0.37 1.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.83 1ul7 n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ul7 n GLY 84 N -0.68 -3.49 2.58 0.46 0.00 -1.26 -4.16 105.19 98.64 1ul7 n GLY 84 Ca -0.05 -1.03 -0.23 0.00 0.00 0.00 0.00 46.02 44.70 1ul7 n GLY 84 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ul7 n THR 85 N -1.12 0.00 -0.01 2.61 5.66 -1.26 -4.65 114.28 115.52 1ul7 n THR 85 Ca 0.00 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.87 1ul7 n THR 85 Cb 0.03 -0.74 -0.09 0.00 -1.55 0.00 0.00 70.33 67.97 1ul7 n THR 85 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1ul7 h SER 86 N -3.24 0.03 0.36 1.09 0.02 -1.98 -1.79 113.55 108.04 1ul7 h SER 86 Ca -0.30 -0.39 -0.01 0.00 -0.84 0.00 0.00 61.79 60.25 1ul7 h SER 86 Cb 1.01 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.51 1ul7 h SER 86 CO 0.18 0.41 -0.43 0.40 -1.14 0.00 0.00 176.83 176.25 1ul7 h ILE 87 N -0.36 0.00 -0.70 3.27 2.04 -2.00 -0.38 117.51 119.38 1ul7 h ILE 87 Ca 0.00 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.02 1ul7 h ILE 87 Cb 0.40 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.44 1ul7 h ILE 87 CO 0.00 0.00 0.48 0.00 0.00 0.00 0.00 178.15 178.63 1ul7 h ALA 88 N -0.98 2.25 0.28 1.87 0.00 -1.92 0.12 119.26 120.87 1ul7 h ALA 88 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ul7 h ALA 88 Cb 0.72 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1ul7 h ALA 88 CO -0.09 -0.44 -0.13 0.35 0.00 0.00 0.00 179.25 178.94 1ul7 h PHE 89 N 0.29 -0.34 -0.77 0.00 3.57 -0.49 -3.14 116.94 116.05 1ul7 h PHE 89 Ca 0.34 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.78 1ul7 h PHE 89 Cb 0.93 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.76 1ul7 h PHE 89 CO -0.00 -0.07 0.26 -0.22 -2.23 0.00 0.00 178.31 176.05 1ul7 h LYS 90 N -0.58 1.18 -0.86 1.11 3.11 -0.33 -2.23 116.57 117.97 1ul7 h LYS 90 Ca -0.04 -0.24 0.08 0.00 -2.81 0.00 0.00 60.65 57.64 1ul7 h LYS 90 Cb 0.42 -0.18 -0.10 0.00 -1.00 0.00 0.00 32.23 31.37 1ul7 h LYS 90 CO 0.06 0.98 -0.51 0.09 -2.81 0.00 0.00 179.45 177.27 1ul7 n ASN 91 N -4.26 -0.91 0.08 4.20 3.02 -0.04 0.08 115.26 117.43 1ul7 n ASN 91 Ca 0.07 1.53 -0.09 0.00 -0.03 0.00 0.00 54.58 56.06 1ul7 n ASN 91 Cb 0.22 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 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 1.48 -0.98 2.41 6.09 -1.60 -3.24 117.51 121.68 1ul7 h ILE 92 Ca 0.14 -2.56 0.23 0.00 -1.37 0.00 0.00 64.86 61.30 1ul7 h ILE 92 Cb 0.35 2.42 -0.12 0.00 0.47 0.00 0.00 36.82 39.95 1ul7 h ILE 92 CO -0.81 0.75 0.55 0.00 -3.07 0.00 0.00 178.15 175.57 1ul7 h ALA 93 N 0.98 1.68 0.00 0.18 0.00 0.29 0.55 119.26 122.94 1ul7 h ALA 93 Ca -0.04 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1ul7 h ALA 93 Cb 1.47 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1ul7 h ALA 93 CO 0.13 -0.23 -0.43 1.03 0.00 0.00 0.00 179.25 179.75 1ul7 h SER 94 N 0.58 0.00 0.51 0.00 0.87 -1.09 -1.69 113.55 112.74 1ul7 h SER 94 Ca 0.61 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 61.08 1ul7 h SER 94 Cb 1.11 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 1ul7 h SER 94 CO -0.46 0.43 -0.42 0.11 -0.53 0.00 0.00 176.83 175.95 1ul7 h LYS 95 N 0.00 0.00 0.00 2.24 1.79 -0.01 -2.82 116.57 117.77 1ul7 h LYS 95 Ca -0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1ul7 h LYS 95 Cb 0.92 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.57 1ul7 h LYS 95 CO 0.06 0.42 -0.44 0.82 -1.08 0.00 0.00 179.45 179.23 1ul7 h ILE 96 N 0.00 0.04 -0.99 1.86 1.08 -1.18 -2.90 117.51 115.41 1ul7 h ILE 96 Ca -0.00 -1.04 0.36 0.00 -0.39 0.00 0.00 64.86 63.79 1ul7 h ILE 96 Cb 0.79 0.08 -0.17 0.00 -3.07 0.00 0.00 36.82 34.45 1ul7 h ILE 96 CO 0.05 0.01 0.48 0.00 -0.69 0.00 0.00 178.15 178.01 1ul7 h ALA 97 N -0.98 1.94 0.06 1.87 0.00 -1.42 0.14 119.26 120.87 1ul7 h ALA 97 Ca -0.01 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1ul7 h ALA 97 Cb 0.45 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1ul7 h ALA 97 CO -0.01 -0.76 -0.03 -0.97 0.00 0.00 0.00 179.25 177.49 1ul7 h ASN 98 N 0.13 -0.07 -0.91 0.00 -1.24 -1.67 -3.34 115.58 108.46 1ul7 h ASN 98 Ca 0.77 0.00 0.23 0.00 0.71 0.00 0.00 56.30 58.01 1ul7 h ASN 98 Cb 1.88 0.02 -0.17 0.00 0.73 0.00 0.00 38.32 40.78 1ul7 h ASN 98 CO -0.72 0.15 -0.07 -0.62 -1.29 0.00 0.00 177.43 174.88 1ul7 n GLU 99 N -3.31 -0.08 -1.09 6.67 -0.58 -0.86 -4.43 120.64 116.97 1ul7 n GLU 99 Ca -0.01 1.39 -0.41 0.00 -0.42 0.00 0.00 57.16 57.71 1ul7 n GLU 99 Cb 0.03 -2.16 -0.11 0.00 -0.57 0.00 0.00 31.44 28.64 1ul7 n GLU 99 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1ul7 n LEU 100 N -5.39 0.43 -1.88 -4.62 4.77 0.43 -4.72 117.00 106.02 1ul7 n LEU 100 Ca 0.19 0.36 -0.10 0.00 -0.03 0.00 0.00 56.01 56.43 1ul7 n LEU 100 Cb 0.62 -0.73 -0.08 0.00 -2.33 0.00 0.00 43.42 40.91 1ul7 n LEU 100 CO -0.08 -0.60 1.36 0.29 -1.33 0.00 0.00 177.39 177.03 1ul7 n LYS 101 N 6.35 1.69 0.00 3.23 4.76 -1.26 -5.03 118.16 127.90 1ul7 n LYS 101 Ca 0.48 -0.88 0.14 0.00 -2.87 0.00 0.00 58.31 55.18 1ul7 n LYS 101 Cb -0.01 -1.64 0.57 0.00 -1.84 0.00 0.00 35.03 32.11 1ul7 n LYS 101 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31