#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 3.37 0.54 1.61 0.01 -1.26 -5.11 113.70 112.87 1ul7 s SER 2 Ca 0.00 -0.81 -0.18 0.00 1.31 0.00 0.00 55.95 56.26 1ul7 s SER 2 Cb 0.00 -0.24 -0.10 0.00 0.21 0.00 0.00 66.02 65.89 1ul7 s SER 2 CO 0.00 0.15 0.44 -0.24 0.41 0.00 0.00 173.24 173.99 1ul7 n SER 3 N 0.56 -1.38 -4.55 2.44 2.88 -1.26 -4.71 113.62 107.59 1ul7 n SER 3 Ca -0.15 0.74 -0.34 0.00 -1.33 0.00 0.00 58.87 57.80 1ul7 n SER 3 Cb 0.55 -1.12 -0.03 0.00 -0.75 0.00 0.00 64.21 62.85 1ul7 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ul7 s GLY 4 N -1.12 -0.44 -0.12 0.46 0.00 -1.26 -4.93 107.32 99.91 1ul7 s GLY 4 Ca 0.66 -0.14 -0.04 0.00 0.00 0.00 0.00 44.72 45.21 1ul7 s GLY 4 CO 0.56 4.10 0.03 -1.35 0.00 0.00 0.00 173.10 176.44 1ul7 s SER 5 N 11.74 5.46 -0.04 1.64 1.04 -1.26 -5.03 113.70 127.25 1ul7 s SER 5 Ca 0.94 0.16 -0.20 0.00 0.48 0.00 0.00 55.95 57.34 1ul7 s SER 5 Cb -0.16 -1.69 -0.13 0.00 0.10 0.00 0.00 66.02 64.14 1ul7 s SER 5 CO 0.23 0.33 0.84 0.28 0.98 0.00 0.00 173.24 175.90 1ul7 h SER 6 N 5.54 -0.32 -4.23 7.02 0.02 -2.03 -3.45 113.55 116.10 1ul7 h SER 6 Ca -0.47 -0.18 -0.50 0.00 -0.84 0.00 0.00 61.79 59.80 1ul7 h SER 6 Cb 1.19 0.08 0.07 0.00 0.14 0.00 0.00 62.40 63.89 1ul7 h SER 6 CO 0.59 0.15 0.37 -0.83 -1.14 0.00 0.00 176.83 175.98 1ul7 s GLY 7 N -3.05 2.02 -0.22 -3.77 0.00 -1.26 -5.04 107.32 95.99 1ul7 s GLY 7 Ca -0.11 0.32 -0.06 0.00 0.00 0.00 0.00 44.72 44.87 1ul7 s GLY 7 CO 0.40 0.63 0.03 0.50 0.00 0.00 0.00 173.10 174.66 1ul7 s ARG 8 N -4.30 3.64 -0.81 2.90 3.00 -1.26 -5.00 118.95 117.11 1ul7 s ARG 8 Ca 0.62 -0.50 -0.02 0.00 0.00 0.00 0.00 55.73 55.84 1ul7 s ARG 8 Cb -0.15 -3.19 0.36 0.00 0.00 0.00 0.00 34.95 31.97 1ul7 s ARG 8 CO 0.41 -0.08 2.00 1.19 0.00 0.00 0.00 175.30 178.82 1ul7 n PHE 9 N 4.54 3.02 -3.97 -0.53 3.01 -1.26 -4.94 117.46 117.33 1ul7 n PHE 9 Ca -0.17 -2.43 -0.09 0.00 1.01 0.00 0.00 57.45 55.78 1ul7 n PHE 9 Cb 0.52 -1.18 -0.10 0.00 -0.01 0.00 0.00 39.48 38.71 1ul7 n PHE 9 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1ul7 s THR 10 N -5.07 0.15 -0.61 4.37 2.01 -1.26 -5.11 115.64 110.12 1ul7 s THR 10 Ca 0.53 -1.21 0.04 0.00 0.31 0.00 0.00 61.69 61.37 1ul7 s THR 10 Cb 0.45 -0.90 0.16 0.00 0.01 0.00 0.00 72.50 72.22 1ul7 s THR 10 CO -0.36 -0.67 0.41 0.86 -0.69 0.00 0.00 174.62 174.18 1ul7 s TRP 11 N -2.65 3.02 0.02 4.92 -0.11 -1.26 -5.06 118.94 117.82 1ul7 s TRP 11 Ca -0.05 -3.09 -0.28 0.00 1.22 0.00 0.00 56.10 53.90 1ul7 s TRP 11 Cb -0.01 -2.40 0.10 0.00 -1.50 0.00 0.00 33.47 29.66 1ul7 s TRP 11 CO -0.05 -0.64 0.91 0.45 -4.62 0.00 0.00 176.95 173.00 1ul7 s SER 12 N -0.91 -0.33 0.31 5.86 0.15 -1.26 -5.05 113.70 112.47 1ul7 s SER 12 Ca 0.24 -0.07 0.04 0.00 0.70 0.00 0.00 55.95 56.86 1ul7 s SER 12 Cb -0.08 0.40 -0.03 0.00 -1.71 0.00 0.00 66.02 64.59 1ul7 s SER 12 CO -0.13 -0.66 0.20 0.00 1.20 0.00 0.00 173.24 173.84 1ul7 s MET 13 N -3.13 1.62 -0.97 5.44 0.23 -1.26 -5.05 119.30 116.17 1ul7 s MET 13 Ca 0.06 -1.93 -0.05 0.00 -1.03 0.00 0.00 55.69 52.74 1ul7 s MET 13 Cb -0.01 0.08 0.05 0.00 -1.53 0.00 0.00 34.83 33.42 1ul7 s MET 13 CO -0.07 -0.52 2.67 1.63 -2.03 0.00 0.00 175.02 176.70 1ul7 n LYS 14 N -0.57 3.61 -3.71 3.16 4.76 -1.26 -4.84 118.16 119.31 1ul7 n LYS 14 Ca 0.03 -2.79 -0.11 0.00 -2.87 0.00 0.00 58.31 52.57 1ul7 n LYS 14 Cb 0.64 -2.44 -0.11 0.00 -1.84 0.00 0.00 35.03 31.27 1ul7 n LYS 14 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1ul7 s THR 15 N -1.00 -0.03 0.04 -0.18 2.01 -1.26 -5.14 115.64 110.09 1ul7 s THR 15 Ca 0.58 0.10 -0.01 0.00 0.31 0.00 0.00 61.69 62.68 1ul7 s THR 15 Cb 0.26 -0.53 -0.03 0.00 0.01 0.00 0.00 72.50 72.21 1ul7 s THR 15 CO -0.13 0.04 -0.03 0.42 -0.69 0.00 0.00 174.62 174.23 1ul7 s THR 16 N 1.24 0.20 -0.02 -0.82 -4.23 -1.26 -4.61 115.64 106.14 1ul7 s THR 16 Ca -0.09 -1.49 0.01 0.00 -1.18 0.00 0.00 61.69 58.95 1ul7 s THR 16 Cb -0.08 -1.07 0.01 0.00 1.34 0.00 0.00 72.50 72.70 1ul7 s THR 16 CO -0.10 -0.81 -0.04 -0.94 -0.54 0.00 0.00 174.62 172.19 1ul7 s SER 17 N -2.39 0.66 -0.87 3.99 1.04 -1.12 -4.86 113.70 110.15 1ul7 s SER 17 Ca -0.01 -0.09 -0.03 0.00 0.48 0.00 0.00 55.95 56.30 1ul7 s SER 17 Cb 0.01 -0.23 0.22 0.00 0.10 0.00 0.00 66.02 66.12 1ul7 s SER 17 CO -0.07 -0.02 0.76 -0.94 0.98 0.00 0.00 173.24 173.96 1ul7 s SER 18 N 0.50 6.03 -0.02 7.02 1.04 -1.26 -2.85 113.70 124.17 1ul7 s SER 18 Ca -0.06 -3.53 -0.30 0.00 0.48 0.00 0.00 55.95 52.54 1ul7 s SER 18 Cb -0.09 -1.94 0.11 0.00 0.10 0.00 0.00 66.02 64.20 1ul7 s SER 18 CO -0.00 -0.24 1.18 0.00 0.98 0.00 0.00 173.24 175.16 1ul7 s MET 19 N -1.08 0.56 0.42 4.02 0.23 -1.26 -5.08 119.30 117.11 1ul7 s MET 19 Ca 0.26 -0.28 -0.24 0.00 -1.03 0.00 0.00 55.69 54.39 1ul7 s MET 19 Cb -0.10 0.21 -0.10 0.00 -1.53 0.00 0.00 34.83 33.30 1ul7 s MET 19 CO -0.10 -0.25 1.02 -0.25 -2.03 0.00 0.00 175.02 173.40 1ul7 n ASP 20 N -0.38 1.31 0.08 -1.18 8.00 -1.26 -4.74 116.55 118.38 1ul7 n ASP 20 Ca -0.06 1.03 0.10 0.00 0.71 0.00 0.00 54.79 56.57 1ul7 n ASP 20 Cb 0.61 -1.36 0.43 0.00 -0.02 0.00 0.00 41.12 40.78 1ul7 n ASP 20 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1ul7 n PRO 21 N 0.13 0.13 -0.03 -0.24 -0.04 -1.26 -3.11 135.00 130.57 1ul7 n PRO 21 Ca 0.09 0.37 -0.13 0.00 -0.04 0.00 0.00 63.50 63.79 1ul7 n PRO 21 Cb 0.39 -1.74 -0.10 0.00 -0.04 0.00 0.00 33.50 32.01 1ul7 n PRO 21 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1ul7 h SER 22 N 0.00 0.06 0.28 3.54 0.87 -2.01 -3.19 113.55 113.12 1ul7 h SER 22 Ca 0.00 -0.61 -0.06 0.00 -1.23 0.00 0.00 61.79 59.89 1ul7 h SER 22 Cb 0.32 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1ul7 h SER 22 CO 0.00 0.66 -0.27 0.44 -0.53 0.00 0.00 176.83 177.13 1ul7 h ASP 23 N -0.53 0.00 -0.42 6.23 5.19 -1.92 -2.89 116.42 122.07 1ul7 h ASP 23 Ca -0.00 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.44 1ul7 h ASP 23 Cb 0.66 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.13 1ul7 h ASP 23 CO 0.01 0.27 0.20 0.24 -3.12 0.00 0.00 179.24 176.84 1ul7 h MET 24 N 0.00 0.39 -0.75 3.56 2.86 -1.55 -0.39 114.93 119.05 1ul7 h MET 24 Ca -0.00 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1ul7 h MET 24 Cb 0.49 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.03 1ul7 h MET 24 CO 0.04 0.26 0.50 0.52 1.06 0.00 0.00 176.91 179.28 1ul7 h MET 25 N 0.40 0.97 -0.10 1.72 2.86 -1.50 0.24 114.93 119.53 1ul7 h MET 25 Ca 0.18 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 1ul7 h MET 25 Cb 0.10 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 31.54 1ul7 h MET 25 CO -0.14 0.64 -0.04 0.00 1.06 0.00 0.00 176.91 178.44 1ul7 h ARG 26 N 1.00 0.20 0.31 1.72 3.08 -1.35 -2.98 114.38 116.37 1ul7 h ARG 26 Ca 0.28 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 1ul7 h ARG 26 Cb -0.10 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 29.95 1ul7 h ARG 26 CO -0.06 0.54 -0.15 1.49 -1.07 0.00 0.00 179.97 180.72 1ul7 h GLU 27 N -0.15 -0.41 -0.95 0.04 4.81 -0.77 -2.30 114.58 114.84 1ul7 h GLU 27 Ca 0.02 0.03 0.23 0.00 -0.13 0.00 0.00 59.36 59.51 1ul7 h GLU 27 Cb 0.48 0.09 -0.18 0.00 0.63 0.00 0.00 28.75 29.77 1ul7 h GLU 27 CO 0.01 -0.10 -0.09 0.82 -0.73 0.00 0.00 179.01 178.92 1ul7 h ILE 28 N -0.72 0.06 0.36 2.32 2.04 -0.61 0.51 117.51 121.47 1ul7 h ILE 28 Ca -0.04 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1ul7 h ILE 28 Cb 0.49 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1ul7 h ILE 28 CO 0.07 0.00 -0.17 0.03 0.00 0.00 0.00 178.15 178.08 1ul7 h ARG 29 N 0.01 -0.47 -0.82 2.37 3.08 -1.49 -2.71 114.38 114.36 1ul7 h ARG 29 Ca 0.52 0.03 0.16 0.00 0.07 0.00 0.00 59.98 60.76 1ul7 h ARG 29 Cb 0.95 0.11 -0.15 0.00 0.08 0.00 0.00 29.97 30.95 1ul7 h ARG 29 CO -0.93 -0.18 -0.26 -0.22 -1.07 0.00 0.00 179.97 177.32 1ul7 h LYS 30 N -0.75 -0.03 -0.56 0.04 3.64 -0.37 0.33 116.57 118.88 1ul7 h LYS 30 Ca -0.05 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1ul7 h LYS 30 Cb 0.51 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.29 1ul7 h LYS 30 CO 0.08 -0.02 0.30 0.28 -2.27 0.00 0.00 179.45 177.82 1ul7 h VAL 31 N -0.03 0.97 0.88 2.00 2.07 -1.14 -2.43 116.25 118.57 1ul7 h VAL 31 Ca 0.37 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.65 1ul7 h VAL 31 Cb 0.60 0.35 0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1ul7 h VAL 31 CO -0.85 0.10 -0.43 -0.07 0.02 0.00 0.00 177.57 176.34 1ul7 h LEU 32 N 0.57 -1.04 -0.95 2.57 3.38 -0.11 -2.58 115.31 117.15 1ul7 h LEU 32 Ca 0.25 0.04 0.29 0.00 0.09 0.00 0.00 57.88 58.54 1ul7 h LEU 32 Cb 0.14 0.27 -0.16 0.00 0.09 0.00 0.00 40.66 41.00 1ul7 h LEU 32 CO -0.16 -0.73 0.28 1.23 0.09 0.00 0.00 178.44 179.15 1ul7 h GLY 33 N -1.20 1.59 1.01 0.83 0.00 -0.86 0.65 103.07 105.10 1ul7 h GLY 33 Ca -0.12 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1ul7 h GLY 33 CO 0.19 -0.50 0.59 0.00 0.00 0.00 0.00 176.54 176.82 1ul7 h ALA 34 N 1.88 1.20 -0.21 3.60 0.00 -1.25 -1.26 119.26 123.22 1ul7 h ALA 34 Ca 0.64 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.42 1ul7 h ALA 34 Cb 1.42 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1ul7 h ALA 34 CO -0.74 0.63 0.05 0.09 0.00 0.00 0.00 179.25 179.28 1ul7 n ASN 35 N -4.39 2.67 -2.48 0.00 3.02 0.21 -4.83 115.26 109.46 1ul7 n ASN 35 Ca 0.11 -2.34 -0.16 0.00 -0.03 0.00 0.00 54.58 52.16 1ul7 n ASN 35 Cb 0.04 -0.57 -0.01 0.00 -0.61 0.00 0.00 39.78 38.63 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 0.14 -4.57 -4.78 6.41 4.13 -0.47 -4.93 115.26 111.19 1ul7 n ASN 36 Ca 0.11 0.10 -0.39 0.00 1.68 0.00 0.00 54.58 56.08 1ul7 n ASN 36 Cb 0.63 -3.84 -0.06 0.00 -1.54 0.00 0.00 39.78 34.96 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 -0.86 6.29 -0.10 0.00 1.01 -0.40 -4.06 116.67 118.55 1ul7 s ASP 38 Ca 0.34 -0.19 -0.01 0.00 0.71 0.00 0.00 52.55 53.40 1ul7 s ASP 38 Cb -0.21 -2.27 -0.03 0.00 1.01 0.00 0.00 42.92 41.42 1ul7 s ASP 38 CO 0.23 -0.54 -0.05 -0.72 0.21 0.00 0.00 175.17 174.30 1ul7 s TYR 39 N 2.40 2.99 -0.03 4.23 1.13 -1.26 -1.70 117.35 125.12 1ul7 s TYR 39 Ca 0.18 -0.07 0.03 0.00 -1.41 0.00 0.00 57.07 55.79 1ul7 s TYR 39 Cb -0.16 -1.80 0.00 0.00 -1.10 0.00 0.00 41.96 38.91 1ul7 s TYR 39 CO 0.14 0.22 -0.10 -1.21 -2.51 0.00 0.00 175.55 172.09 1ul7 s GLU 40 N -0.43 1.11 -0.58 -3.49 0.41 -1.07 -4.91 118.70 109.74 1ul7 s GLU 40 Ca 0.07 -0.34 -0.27 0.00 -0.41 0.00 0.00 54.97 54.02 1ul7 s GLU 40 Cb -0.12 -1.02 -0.02 0.00 -1.78 0.00 0.00 34.13 31.19 1ul7 s GLU 40 CO 0.02 0.11 1.90 -1.14 -0.49 0.00 0.00 175.26 175.66 1ul7 s GLN 41 N 0.26 2.64 -0.03 1.61 2.00 -1.26 -1.42 119.66 123.45 1ul7 s GLN 41 Ca -0.05 0.74 -0.02 0.00 -2.00 0.00 0.00 55.36 54.03 1ul7 s GLN 41 Cb -0.10 -4.39 -0.01 0.00 0.80 0.00 0.00 33.01 29.32 1ul7 s GLN 41 CO 0.01 -2.71 -0.03 0.00 -0.50 0.00 0.00 175.29 172.05 1ul7 h ARG 42 N 15.19 0.00 0.00 1.67 2.47 -1.68 -3.49 114.38 128.53 1ul7 h ARG 42 Ca -0.26 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 58.14 1ul7 h ARG 42 Cb 1.17 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.46 1ul7 h ARG 42 CO 1.20 0.00 -0.17 0.39 0.56 0.00 0.00 179.97 181.95 1ul7 n GLU 43 N -2.78 1.14 -0.22 0.04 1.02 -0.99 -4.96 120.64 113.90 1ul7 n GLU 43 Ca -0.01 -1.85 0.02 0.00 -0.02 0.00 0.00 57.16 55.29 1ul7 n GLU 43 Cb 0.05 0.28 0.13 0.00 -0.02 0.00 0.00 31.44 31.88 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 0.35 -0.17 3.49 2.43 -2.02 -3.06 114.38 115.40 1ul7 h ARG 44 Ca -0.19 -0.02 -0.18 0.00 -0.81 0.00 0.00 59.98 58.77 1ul7 h ARG 44 Cb 0.67 -0.08 -0.27 0.00 -0.42 0.00 0.00 29.97 29.87 1ul7 h ARG 44 CO 0.31 0.23 -0.85 1.19 -1.51 0.00 0.00 179.97 179.34 1ul7 n PHE 45 N -5.05 0.58 -5.02 2.20 3.72 -1.26 -5.05 117.46 107.58 1ul7 n PHE 45 Ca 0.10 -1.32 -0.29 0.00 -0.05 0.00 0.00 57.45 55.89 1ul7 n PHE 45 Cb 0.33 -0.22 -0.16 0.00 -0.94 0.00 0.00 39.48 38.48 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 -2.14 1.97 0.06 4.37 2.96 -1.16 -3.36 118.68 121.38 1ul7 s LEU 46 Ca 0.36 -0.44 0.08 0.00 -0.22 0.00 0.00 54.13 53.92 1ul7 s LEU 46 Cb 0.37 -1.17 -0.03 0.00 0.50 0.00 0.00 46.19 45.87 1ul7 s LEU 46 CO -0.09 0.17 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.13 1ul7 s LEU 47 N 0.10 2.20 -0.51 -0.68 1.43 0.02 -1.70 118.68 119.55 1ul7 s LEU 47 Ca -0.08 -0.58 -0.13 0.00 -1.03 0.00 0.00 54.13 52.31 1ul7 s LEU 47 Cb -0.14 -1.02 0.12 0.00 0.03 0.00 0.00 46.19 45.18 1ul7 s LEU 47 CO 0.04 0.16 0.43 0.12 0.23 0.00 0.00 176.35 177.33 1ul7 s PHE 48 N -0.89 3.33 0.44 0.29 5.36 -0.51 -0.96 117.98 125.04 1ul7 s PHE 48 Ca 0.08 -1.56 -0.20 0.00 -0.96 0.00 0.00 56.93 54.30 1ul7 s PHE 48 Cb -0.09 -3.65 -0.10 0.00 -0.34 0.00 0.00 43.02 38.83 1ul7 s PHE 48 CO 0.03 -1.01 0.95 0.00 -1.46 0.00 0.00 175.22 173.73 1ul7 s VAL 50 N -2.25 -0.03 0.00 0.00 1.01 -0.69 -1.81 120.40 116.63 1ul7 s VAL 50 Ca 0.61 0.08 -0.17 0.00 0.00 0.00 0.00 61.98 62.50 1ul7 s VAL 50 Cb -0.09 -0.67 0.03 0.00 0.00 0.00 0.00 36.38 35.65 1ul7 s VAL 50 CO 0.16 0.03 0.38 -2.28 0.00 0.00 0.00 175.10 173.39 1ul7 s HIS 51 N 1.45 -0.25 -0.19 5.22 2.46 -0.82 -1.28 115.29 121.88 1ul7 s HIS 51 Ca -0.10 0.33 -0.05 0.00 0.47 0.00 0.00 55.06 55.71 1ul7 s HIS 51 Cb -0.08 0.16 -0.10 0.00 -0.13 0.00 0.00 32.58 32.43 1ul7 s HIS 51 CO -0.14 -0.47 -0.21 0.41 -2.47 0.00 0.00 174.74 171.86 1ul7 n GLY 52 N 0.98 -0.29 4.27 1.59 0.00 -1.26 -0.23 105.19 110.25 1ul7 n GLY 52 Ca -0.20 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 1ul7 n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ul7 n ASP 53 N -3.53 -1.67 0.00 1.61 2.03 -1.26 -4.34 116.55 109.39 1ul7 n ASP 53 Ca -0.36 -1.11 0.00 0.00 0.52 0.00 0.00 54.79 53.84 1ul7 n ASP 53 Cb 0.80 -2.33 0.00 0.00 -0.72 0.00 0.00 41.12 38.87 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 -1.63 -0.37 3.94 0.27 0.00 -1.26 -5.09 105.19 101.05 1ul7 n GLY 54 Ca -0.05 0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 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 3.39 0.29 1.61 3.76 -1.26 -5.02 115.29 118.06 1ul7 s HIS 55 Ca 0.00 -0.03 0.04 0.00 -0.15 0.00 0.00 55.06 54.91 1ul7 s HIS 55 Cb 0.00 -1.54 0.44 0.00 1.11 0.00 0.00 32.58 32.59 1ul7 s HIS 55 CO 0.00 0.46 1.73 0.00 -0.85 0.00 0.00 174.74 176.07 1ul7 h ALA 56 N 1.24 1.12 0.00 -1.40 0.00 -2.00 -2.32 119.26 115.91 1ul7 h ALA 56 Ca -0.51 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1ul7 h ALA 56 Cb 1.23 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1ul7 h ALA 56 CO 0.61 0.55 0.00 0.93 0.00 0.00 0.00 179.25 181.34 1ul7 h GLU 57 N 0.36 0.00 -0.40 0.00 4.39 -1.98 -2.67 114.58 114.29 1ul7 h GLU 57 Ca 0.05 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.60 1ul7 h GLU 57 Cb 0.69 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.24 1ul7 h GLU 57 CO 0.05 0.00 0.03 0.09 -1.16 0.00 0.00 179.01 178.02 1ul7 n ASN 58 N -2.61 3.17 -4.77 1.42 5.03 -0.88 -5.03 115.26 111.59 1ul7 n ASN 58 Ca 0.02 -3.49 -0.38 0.00 0.87 0.00 0.00 54.58 51.60 1ul7 n ASN 58 Cb 0.28 -0.63 -0.00 0.00 -1.02 0.00 0.00 39.78 38.41 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 -3.10 4.05 -0.15 3.41 0.20 -1.01 -4.79 118.68 117.29 1ul7 s LEU 59 Ca 0.45 2.45 -0.01 0.00 0.69 0.00 0.00 54.13 57.72 1ul7 s LEU 59 Cb 0.39 -4.15 -0.01 0.00 -0.43 0.00 0.00 46.19 41.99 1ul7 s LEU 59 CO 0.04 -0.98 -0.11 -0.69 -0.29 0.00 0.00 176.35 174.32 1ul7 s VAL 60 N -1.43 3.11 -0.15 1.68 1.01 0.68 -4.13 120.40 121.16 1ul7 s VAL 60 Ca 0.63 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1ul7 s VAL 60 Cb -0.33 -2.33 -0.00 0.00 0.00 0.00 0.00 36.38 33.72 1ul7 s VAL 60 CO 0.40 0.51 -0.15 -1.10 0.00 0.00 0.00 175.10 174.76 1ul7 s GLN 61 N 0.56 3.22 0.10 2.72 -0.21 -1.08 -1.95 119.66 123.03 1ul7 s GLN 61 Ca -0.07 -0.75 -0.16 0.00 0.02 0.00 0.00 55.36 54.40 1ul7 s GLN 61 Cb -0.15 -2.62 0.03 0.00 1.00 0.00 0.00 33.01 31.27 1ul7 s GLN 61 CO 0.03 0.03 0.39 1.67 -2.12 0.00 0.00 175.29 175.29 1ul7 s TRP 62 N 0.78 -0.19 0.41 0.91 -2.14 -0.75 -1.16 118.94 116.79 1ul7 s TRP 62 Ca -0.06 -0.07 0.04 0.00 2.66 0.00 0.00 56.10 58.67 1ul7 s TRP 62 Cb -0.15 0.23 -0.05 0.00 -3.10 0.00 0.00 33.47 30.40 1ul7 s TRP 62 CO 0.00 -0.66 0.04 -1.83 -2.66 0.00 0.00 176.95 171.85 1ul7 s GLU 63 N -3.51 1.92 0.05 3.25 -1.05 -1.17 0.23 118.70 118.42 1ul7 s GLU 63 Ca 0.01 -2.14 -0.11 0.00 -0.15 0.00 0.00 54.97 52.59 1ul7 s GLU 63 Cb 0.01 -1.20 0.01 0.00 -0.44 0.00 0.00 34.13 32.52 1ul7 s GLU 63 CO -0.10 -0.24 0.23 -1.64 0.95 0.00 0.00 175.26 174.46 1ul7 s MET 64 N -3.80 0.75 -0.18 -4.83 -1.94 -0.13 -2.83 119.30 106.34 1ul7 s MET 64 Ca 0.26 -0.64 -0.19 0.00 -1.71 0.00 0.00 55.69 53.42 1ul7 s MET 64 Cb 0.06 0.32 0.05 0.00 2.01 0.00 0.00 34.83 37.27 1ul7 s MET 64 CO 0.13 -0.23 0.52 -2.00 -0.01 0.00 0.00 175.02 173.43 1ul7 s GLU 65 N -2.76 0.63 -0.47 2.03 2.12 -1.25 -0.80 118.70 118.21 1ul7 s GLU 65 Ca -0.04 0.68 -0.23 0.00 0.36 0.00 0.00 54.97 55.74 1ul7 s GLU 65 Cb -0.00 0.31 0.03 0.00 0.26 0.00 0.00 34.13 34.73 1ul7 s GLU 65 CO -0.05 -0.09 0.79 0.08 -0.54 0.00 0.00 175.26 175.46 1ul7 s VAL 66 N 0.16 4.63 0.35 3.70 1.01 -1.21 -2.31 120.40 126.73 1ul7 s VAL 66 Ca -0.01 0.34 0.09 0.00 0.00 0.00 0.00 61.98 62.40 1ul7 s VAL 66 Cb -0.04 -4.35 -0.07 0.00 0.00 0.00 0.00 36.38 31.93 1ul7 s VAL 66 CO 0.01 -0.78 -0.06 0.00 0.00 0.00 0.00 175.10 174.27 1ul7 s LYS 68 N -3.64 2.31 0.23 0.00 2.20 -1.26 0.29 119.74 119.87 1ul7 s LYS 68 Ca 0.33 -1.81 -0.30 0.00 -0.36 0.00 0.00 55.97 53.84 1ul7 s LYS 68 Cb 0.03 -3.80 -0.15 0.00 -1.51 0.00 0.00 37.83 32.40 1ul7 s LYS 68 CO 0.17 -1.15 0.97 1.28 -0.36 0.00 0.00 175.35 176.27 1ul7 n LEU 69 N 4.76 1.18 0.01 5.43 4.77 -0.89 -4.91 117.00 127.34 1ul7 n LEU 69 Ca -0.05 1.16 -0.13 0.00 -0.03 0.00 0.00 56.01 56.96 1ul7 n LEU 69 Cb 0.41 -1.20 -0.10 0.00 -2.33 0.00 0.00 43.42 40.20 1ul7 n LEU 69 CO 0.39 -1.64 0.60 1.55 -1.33 0.00 0.00 177.39 176.96 1ul7 h PRO 70 N 2.25 -0.06 -0.05 3.23 0.13 -1.98 -3.33 132.00 132.19 1ul7 h PRO 70 Ca -0.39 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.73 1ul7 h PRO 70 Cb 1.36 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.50 1ul7 h PRO 70 CO 0.63 0.41 -0.04 0.00 -0.23 0.00 0.00 178.00 178.77 1ul7 h ARG 71 N -0.55 0.11 -5.99 0.86 2.47 -1.98 -3.43 114.38 105.87 1ul7 h ARG 71 Ca -0.01 -0.06 -0.56 0.00 -1.26 0.00 0.00 59.98 58.10 1ul7 h ARG 71 Cb 0.50 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.76 1ul7 h ARG 71 CO 0.01 0.54 0.04 -0.51 0.56 0.00 0.00 179.97 180.61 1ul7 s LEU 72 N -9.24 4.32 0.00 3.04 1.43 -1.25 -4.95 118.68 112.03 1ul7 s LEU 72 Ca -0.15 1.12 -0.04 0.00 -1.03 0.00 0.00 54.13 54.03 1ul7 s LEU 72 Cb 0.03 -3.00 -0.20 0.00 0.03 0.00 0.00 46.19 43.05 1ul7 s LEU 72 CO 0.70 -0.08 3.15 -0.24 0.23 0.00 0.00 176.35 180.11 1ul7 n SER 73 N 3.67 5.07 -3.27 2.29 2.88 -1.26 -4.10 113.62 118.90 1ul7 n SER 73 Ca -0.03 -2.42 -0.17 0.00 -1.33 0.00 0.00 58.87 54.91 1ul7 n SER 73 Cb 0.51 -1.30 -0.06 0.00 -0.75 0.00 0.00 64.21 62.61 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 0.00 1.43 -0.16 2.46 1.02 -1.26 -5.06 118.68 117.11 1ul7 s LEU 74 Ca 0.50 -1.65 -0.08 0.00 0.02 0.00 0.00 54.13 52.91 1ul7 s LEU 74 Cb 0.24 0.98 -0.04 0.00 0.02 0.00 0.00 46.19 47.38 1ul7 s LEU 74 CO 0.00 -1.18 0.11 0.20 0.02 0.00 0.00 176.35 175.50 1ul7 s ASN 75 N -3.32 6.12 0.11 2.29 -0.87 -1.13 -2.10 114.94 116.03 1ul7 s ASN 75 Ca 0.36 0.28 0.10 0.00 -1.57 0.00 0.00 52.86 52.03 1ul7 s ASN 75 Cb 0.01 -2.03 -0.04 0.00 -0.02 0.00 0.00 41.25 39.17 1ul7 s ASN 75 CO 0.25 0.27 -0.22 -0.83 -2.57 0.00 0.00 177.10 173.99 1ul7 s GLY 76 N -0.16 1.61 0.34 0.66 0.00 0.15 -2.78 107.32 107.14 1ul7 s GLY 76 Ca 0.10 -1.38 -0.05 0.00 0.00 0.00 0.00 44.72 43.38 1ul7 s GLY 76 CO 0.01 -1.34 0.62 0.14 0.00 0.00 0.00 173.10 172.53 1ul7 s VAL 77 N -1.06 4.97 0.09 1.40 1.01 -1.26 -1.59 120.40 123.97 1ul7 s VAL 77 Ca 0.15 0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.33 1ul7 s VAL 77 Cb -0.10 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1ul7 s VAL 77 CO 0.07 -0.45 -0.11 -0.13 0.00 0.00 0.00 175.10 174.48 1ul7 s ARG 78 N -3.84 2.11 -0.22 2.72 1.81 -0.98 -4.84 118.95 115.71 1ul7 s ARG 78 Ca 0.45 -1.02 -0.04 0.00 -1.72 0.00 0.00 55.73 53.41 1ul7 s ARG 78 Cb -0.10 -2.29 0.07 0.00 -0.45 0.00 0.00 34.95 32.18 1ul7 s ARG 78 CO 0.33 0.51 0.09 -0.06 -0.68 0.00 0.00 175.30 175.49 1ul7 s PHE 79 N -1.17 0.52 -0.25 -0.53 0.40 -1.26 -3.92 117.98 111.76 1ul7 s PHE 79 Ca 0.20 -0.70 -0.08 0.00 -0.60 0.00 0.00 56.93 55.75 1ul7 s PHE 79 Cb -0.11 -0.90 -0.04 0.00 0.51 0.00 0.00 43.02 42.48 1ul7 s PHE 79 CO 0.12 -0.65 0.11 0.21 0.70 0.00 0.00 175.22 175.71 1ul7 s LYS 80 N 2.03 3.78 -0.72 0.44 2.20 -1.13 -4.97 119.74 121.37 1ul7 s LYS 80 Ca 0.04 -0.41 -0.20 0.00 -0.36 0.00 0.00 55.97 55.03 1ul7 s LYS 80 Cb -0.16 -3.41 0.10 0.00 -1.51 0.00 0.00 37.83 32.84 1ul7 s LYS 80 CO -0.18 -0.13 0.95 0.50 -0.36 0.00 0.00 175.35 176.12 1ul7 s ARG 81 N 1.52 3.24 -0.02 4.03 3.52 -1.26 -3.06 118.95 126.93 1ul7 s ARG 81 Ca 0.06 -1.25 -0.01 0.00 -0.13 0.00 0.00 55.73 54.40 1ul7 s ARG 81 Cb -0.15 -4.44 -0.01 0.00 -1.56 0.00 0.00 34.95 28.80 1ul7 s ARG 81 CO 0.06 -1.73 0.14 0.82 -0.81 0.00 0.00 175.30 173.78 1ul7 h ILE 82 N 5.90 0.00 -3.11 4.11 1.08 -1.54 -3.48 117.51 120.47 1ul7 h ILE 82 Ca -0.15 -0.21 -0.51 0.00 -0.39 0.00 0.00 64.86 63.60 1ul7 h ILE 82 Cb 1.06 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 34.64 1ul7 h ILE 82 CO 1.13 0.00 -0.77 -0.94 -0.69 0.00 0.00 178.15 176.89 1ul7 s SER 83 N -3.46 2.72 0.00 1.72 1.04 -1.17 -4.98 113.70 109.56 1ul7 s SER 83 Ca -0.01 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.51 1ul7 s SER 83 Cb 0.00 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.96 1ul7 s SER 83 CO 0.02 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.78 1ul7 n GLY 84 N 0.04 2.45 3.46 7.32 0.00 -1.26 -2.64 105.19 114.56 1ul7 n GLY 84 Ca -0.11 -1.40 -0.29 0.00 0.00 0.00 0.00 46.02 44.22 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 1.96 0.00 -0.08 2.61 5.66 -1.26 -4.57 114.28 118.59 1ul7 n THR 85 Ca 0.00 -0.39 -0.08 0.00 -3.05 0.00 0.00 64.05 60.52 1ul7 n THR 85 Cb 0.00 -0.94 -0.01 0.00 -1.55 0.00 0.00 70.33 67.83 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 -2.54 0.24 0.02 1.09 0.02 -1.98 0.71 113.55 111.11 1ul7 h SER 86 Ca -0.59 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.38 1ul7 h SER 86 Cb 1.33 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.79 1ul7 h SER 86 CO 0.47 0.18 -0.37 0.40 -1.14 0.00 0.00 176.83 176.36 1ul7 h ILE 87 N 0.33 0.00 0.03 3.27 1.08 -1.99 0.34 117.51 120.57 1ul7 h ILE 87 Ca 0.12 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.60 1ul7 h ILE 87 Cb 0.02 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 33.75 1ul7 h ILE 87 CO -0.07 0.00 -0.10 0.00 -0.69 0.00 0.00 178.15 177.28 1ul7 h ALA 88 N -0.77 -0.14 -0.45 1.87 0.00 -1.90 -1.01 119.26 116.86 1ul7 h ALA 88 Ca 0.01 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1ul7 h ALA 88 Cb 0.51 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.39 1ul7 h ALA 88 CO -0.24 -0.61 -0.53 0.35 0.00 0.00 0.00 179.25 178.22 1ul7 h PHE 89 N -0.20 -1.64 -0.15 0.00 3.57 -0.59 0.31 116.94 118.25 1ul7 h PHE 89 Ca 0.03 0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.64 1ul7 h PHE 89 Cb 0.23 0.77 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 1ul7 h PHE 89 CO -0.15 -0.45 0.10 -0.22 -2.23 0.00 0.00 178.31 175.36 1ul7 h LYS 90 N -0.33 0.09 0.54 1.11 3.11 -0.83 0.10 116.57 120.36 1ul7 h LYS 90 Ca 0.08 -0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.90 1ul7 h LYS 90 Cb 0.54 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.73 1ul7 h LYS 90 CO -0.60 0.06 -0.49 -0.97 -2.81 0.00 0.00 179.45 174.64 1ul7 h ASN 91 N 0.09 -1.32 0.56 4.20 -0.73 0.98 0.13 115.58 119.49 1ul7 h ASN 91 Ca 0.06 0.10 -0.13 0.00 1.87 0.00 0.00 56.30 58.20 1ul7 h ASN 91 Cb 0.14 0.43 -0.02 0.00 0.27 0.00 0.00 38.32 39.15 1ul7 h ASN 91 CO -0.01 -0.67 -0.62 -0.29 -0.37 0.00 0.00 177.43 175.48 1ul7 h ILE 92 N -1.02 1.43 -0.73 2.57 6.09 -1.12 -3.12 117.51 121.61 1ul7 h ILE 92 Ca -0.07 -2.09 -0.04 0.00 -1.37 0.00 0.00 64.86 61.30 1ul7 h ILE 92 Cb 0.87 2.11 -0.03 0.00 0.47 0.00 0.00 36.82 40.24 1ul7 h ILE 92 CO -0.03 0.60 0.31 0.00 -3.07 0.00 0.00 178.15 175.96 1ul7 h ALA 93 N 1.33 1.17 0.00 0.18 0.00 -0.72 -1.43 119.26 119.80 1ul7 h ALA 93 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1ul7 h ALA 93 Cb 1.10 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1ul7 h ALA 93 CO 0.08 0.61 0.00 1.03 0.00 0.00 0.00 179.25 180.97 1ul7 h SER 94 N 1.05 0.00 0.99 0.00 0.87 -0.68 -1.66 113.55 114.12 1ul7 h SER 94 Ca 0.25 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.64 1ul7 h SER 94 Cb 0.17 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.10 1ul7 h SER 94 CO -0.02 0.00 -1.08 0.11 -0.53 0.00 0.00 176.83 175.30 1ul7 h LYS 95 N 0.00 0.00 0.00 2.24 1.57 -1.34 -3.10 116.57 115.94 1ul7 h LYS 95 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1ul7 h LYS 95 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1ul7 h LYS 95 CO 0.00 0.50 -0.29 0.82 -0.57 0.00 0.00 179.45 179.91 1ul7 h ILE 96 N 0.00 1.09 -0.76 1.86 1.08 -1.20 -2.86 117.51 116.71 1ul7 h ILE 96 Ca -0.10 -1.92 0.06 0.00 -0.39 0.00 0.00 64.86 62.51 1ul7 h ILE 96 Cb 1.60 2.16 -0.06 0.00 -3.07 0.00 0.00 36.82 37.46 1ul7 h ILE 96 CO 0.07 0.37 0.45 0.00 -0.69 0.00 0.00 178.15 178.35 1ul7 h ALA 97 N -0.39 1.03 0.04 1.87 0.00 -1.60 -0.28 119.26 119.93 1ul7 h ALA 97 Ca -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ul7 h ALA 97 Cb 0.80 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1ul7 h ALA 97 CO -0.04 0.17 -0.02 -0.97 0.00 0.00 0.00 179.25 178.39 1ul7 h ASN 98 N 0.83 -0.05 -0.85 0.00 -0.73 -1.69 -3.30 115.58 109.79 1ul7 h ASN 98 Ca 0.33 0.00 0.15 0.00 1.87 0.00 0.00 56.30 58.66 1ul7 h ASN 98 Cb 0.17 0.01 -0.15 0.00 0.27 0.00 0.00 38.32 38.62 1ul7 h ASN 98 CO -0.17 -0.02 -0.31 -0.33 -0.37 0.00 0.00 177.43 176.22 1ul7 h GLU 99 N -0.07 -0.04 -4.81 6.67 4.39 -1.52 -3.39 114.58 115.80 1ul7 h GLU 99 Ca -0.01 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.17 1ul7 h GLU 99 Cb 0.04 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.63 1ul7 h GLU 99 CO 0.01 -0.03 1.46 1.28 -1.16 0.00 0.00 179.01 180.57 1ul7 n LEU 100 N -5.50 0.40 -3.62 1.33 4.77 -0.12 -4.75 117.00 109.51 1ul7 n LEU 100 Ca 0.10 0.31 -0.41 0.00 -0.03 0.00 0.00 56.01 55.98 1ul7 n LEU 100 Cb 0.41 -0.82 -0.01 0.00 -2.33 0.00 0.00 43.42 40.66 1ul7 n LEU 100 CO -0.07 -0.66 2.66 1.17 -1.33 0.00 0.00 177.39 179.15 1ul7 n LYS 101 N 7.37 3.48 0.00 3.23 4.81 -1.26 -4.97 118.16 130.81 1ul7 n LYS 101 Ca 0.56 -2.84 0.02 0.00 -0.87 0.00 0.00 58.31 55.19 1ul7 n LYS 101 Cb 0.01 -3.00 0.02 0.00 0.02 0.00 0.00 35.03 32.08 1ul7 n LYS 101 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85