#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 -0.20 -0.30 1.61 1.04 -1.26 -5.15 113.70 109.45 1ul7 s SER 2 Ca 0.00 0.23 -0.14 0.00 0.48 0.00 0.00 55.95 56.52 1ul7 s SER 2 Cb 0.00 0.40 0.16 0.00 0.10 0.00 0.00 66.02 66.68 1ul7 s SER 2 CO 0.00 -0.29 0.93 -0.55 0.98 0.00 0.00 173.24 174.31 1ul7 s SER 3 N -0.74 -0.66 0.00 7.02 0.15 -1.26 -5.14 113.70 113.07 1ul7 s SER 3 Ca -0.08 0.93 0.00 0.00 0.70 0.00 0.00 55.95 57.50 1ul7 s SER 3 Cb -0.04 1.71 0.00 0.00 -1.71 0.00 0.00 66.02 65.98 1ul7 s SER 3 CO 0.02 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.94 1ul7 n GLY 4 N 4.91 2.79 2.76 9.45 0.00 -1.26 -5.12 105.19 118.71 1ul7 n GLY 4 Ca -0.11 -1.21 -0.19 0.00 0.00 0.00 0.00 46.02 44.51 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 0.90 0.59 1.61 1.04 -1.26 -5.15 113.70 111.43 1ul7 s SER 5 Ca 0.00 -0.01 -0.06 0.00 0.48 0.00 0.00 55.95 56.37 1ul7 s SER 5 Cb 0.00 -0.24 0.01 0.00 0.10 0.00 0.00 66.02 65.89 1ul7 s SER 5 CO 0.00 -0.17 0.90 -0.44 0.98 0.00 0.00 173.24 174.51 1ul7 s SER 6 N 1.59 5.57 0.00 7.02 0.01 -1.26 -4.98 113.70 121.65 1ul7 s SER 6 Ca -0.02 0.70 0.00 0.00 1.31 0.00 0.00 55.95 57.94 1ul7 s SER 6 Cb -0.13 -1.68 0.00 0.00 0.21 0.00 0.00 66.02 64.42 1ul7 s SER 6 CO -0.03 -1.08 0.00 0.61 0.41 0.00 0.00 173.24 173.15 1ul7 n GLY 7 N -2.59 1.49 0.06 3.44 0.00 -1.26 -5.04 105.19 101.29 1ul7 n GLY 7 Ca 0.05 -1.09 -0.04 0.00 0.00 0.00 0.00 46.02 44.93 1ul7 n GLY 7 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ul7 h ARG 8 N 0.00 0.00 -7.03 1.61 2.43 -2.01 -3.46 114.38 105.92 1ul7 h ARG 8 Ca 0.00 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.61 1ul7 h ARG 8 Cb 0.00 0.00 0.17 0.00 -0.42 0.00 0.00 29.97 29.72 1ul7 h ARG 8 CO 0.00 0.29 0.32 1.97 -1.51 0.00 0.00 179.97 181.04 1ul7 n PHE 9 N -4.73 1.34 -3.57 2.20 1.16 -1.26 -4.97 117.46 107.63 1ul7 n PHE 9 Ca -0.03 0.41 -0.16 0.00 -1.87 0.00 0.00 57.45 55.80 1ul7 n PHE 9 Cb 0.14 -2.18 -0.06 0.00 -1.61 0.00 0.00 39.48 35.77 1ul7 n PHE 9 CO 0.00 0.00 0.00 -0.08 -1.87 0.00 0.00 176.76 174.81 1ul7 s THR 10 N -1.60 0.00 0.38 1.97 -1.32 -1.26 -5.16 115.64 108.66 1ul7 s THR 10 Ca 0.78 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 61.32 1ul7 s THR 10 Cb -0.37 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 69.68 1ul7 s THR 10 CO 0.45 0.00 0.47 0.79 -2.21 0.00 0.00 174.62 174.12 1ul7 n TRP 11 N 1.61 -2.10 -2.22 9.09 7.02 -1.26 -4.71 117.44 124.86 1ul7 n TRP 11 Ca -0.16 -1.45 -0.04 0.00 -1.02 0.00 0.00 57.50 54.82 1ul7 n TRP 11 Cb 0.56 -0.35 0.02 0.00 -2.42 0.00 0.00 31.31 29.12 1ul7 n TRP 11 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1ul7 n SER 12 N -2.38 -2.40 -4.78 -0.99 2.88 -1.26 -5.02 113.62 99.67 1ul7 n SER 12 Ca 0.08 -0.16 -0.35 0.00 -1.33 0.00 0.00 58.87 57.10 1ul7 n SER 12 Cb 0.41 -1.68 -0.01 0.00 -0.75 0.00 0.00 64.21 62.18 1ul7 n SER 12 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1ul7 s MET 13 N -4.01 3.49 0.06 -1.46 0.00 -1.26 -4.98 119.30 111.14 1ul7 s MET 13 Ca 0.04 1.57 -0.37 0.00 0.00 0.00 0.00 55.69 56.92 1ul7 s MET 13 Cb -0.01 -2.06 -0.21 0.00 0.00 0.00 0.00 34.83 32.56 1ul7 s MET 13 CO 0.19 -0.73 1.57 0.87 0.00 0.00 0.00 175.02 176.92 1ul7 h LYS 14 N 1.35 -1.25 -6.82 4.11 1.57 -1.95 -3.44 116.57 110.14 1ul7 h LYS 14 Ca -0.50 0.09 -0.55 0.00 -1.87 0.00 0.00 60.65 57.81 1ul7 h LYS 14 Cb 1.25 0.28 0.19 0.00 0.08 0.00 0.00 32.23 34.03 1ul7 h LYS 14 CO 0.58 -0.83 -0.19 2.41 -0.57 0.00 0.00 179.45 180.84 1ul7 n THR 15 N -5.65 1.87 -3.81 -0.16 -1.04 -1.26 -5.03 114.28 99.20 1ul7 n THR 15 Ca -0.16 -0.34 -0.10 0.00 -2.04 0.00 0.00 64.05 61.40 1ul7 n THR 15 Cb 0.51 -0.88 -0.08 0.00 -1.82 0.00 0.00 70.33 68.07 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 -1.97 0.11 -0.16 12.58 -4.23 -1.26 -4.71 115.64 116.00 1ul7 s THR 16 Ca 0.67 -0.90 -0.02 0.00 -1.18 0.00 0.00 61.69 60.27 1ul7 s THR 16 Cb -0.32 -1.05 0.05 0.00 1.34 0.00 0.00 72.50 72.51 1ul7 s THR 16 CO 0.56 -0.49 -0.01 -0.44 -0.54 0.00 0.00 174.62 173.70 1ul7 s SER 17 N -2.34 2.59 -0.06 3.99 0.01 -0.84 -4.84 113.70 112.21 1ul7 s SER 17 Ca -0.02 -0.60 -0.03 0.00 1.31 0.00 0.00 55.95 56.62 1ul7 s SER 17 Cb 0.01 -0.69 -0.08 0.00 0.21 0.00 0.00 66.02 65.47 1ul7 s SER 17 CO -0.06 -0.23 2.69 -1.20 0.41 0.00 0.00 173.24 174.84 1ul7 n SER 18 N 5.00 5.50 -3.83 2.44 7.64 -1.26 -3.62 113.62 125.48 1ul7 n SER 18 Ca -0.10 -2.56 -0.12 0.00 1.01 0.00 0.00 58.87 57.11 1ul7 n SER 18 Cb 0.48 -1.24 -0.11 0.00 -1.01 0.00 0.00 64.21 62.33 1ul7 n SER 18 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1ul7 s MET 19 N 0.09 0.40 0.46 1.43 -1.94 -1.26 -5.10 119.30 113.38 1ul7 s MET 19 Ca 0.33 -0.11 -0.20 0.00 -1.71 0.00 0.00 55.69 54.00 1ul7 s MET 19 Cb 0.17 0.18 -0.14 0.00 2.01 0.00 0.00 34.83 37.05 1ul7 s MET 19 CO -0.02 -0.09 0.11 -0.25 -0.01 0.00 0.00 175.02 174.76 1ul7 n ASP 20 N 2.03 -2.75 0.26 3.03 8.00 -1.26 -4.68 116.55 121.19 1ul7 n ASP 20 Ca -0.19 0.76 0.15 0.00 0.71 0.00 0.00 54.79 56.22 1ul7 n ASP 20 Cb 0.57 -0.93 0.65 0.00 -0.02 0.00 0.00 41.12 41.39 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 0.24 0.00 0.00 -0.24 0.13 -1.94 -2.73 132.00 127.46 1ul7 h PRO 21 Ca -0.40 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.68 1ul7 h PRO 21 Cb 1.44 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.56 1ul7 h PRO 21 CO 0.46 0.07 -0.26 0.77 -0.23 0.00 0.00 178.00 178.81 1ul7 h SER 22 N 0.00 0.00 0.30 1.44 0.02 -1.97 -3.06 113.55 110.28 1ul7 h SER 22 Ca -0.00 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 1ul7 h SER 22 Cb 0.54 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 1ul7 h SER 22 CO 0.01 0.26 -1.74 0.44 -1.14 0.00 0.00 176.83 174.66 1ul7 h ASP 23 N 0.00 0.42 -0.88 3.07 3.32 -1.83 -3.35 116.42 117.17 1ul7 h ASP 23 Ca -0.00 -0.70 0.13 0.00 0.02 0.00 0.00 57.03 56.48 1ul7 h ASP 23 Cb 0.70 -0.14 -0.07 0.00 0.22 0.00 0.00 39.33 40.04 1ul7 h ASP 23 CO 0.03 1.60 0.57 0.24 -1.72 0.00 0.00 179.24 179.97 1ul7 h MET 24 N 0.07 0.69 -0.55 3.56 2.86 -1.44 -1.15 114.93 118.98 1ul7 h MET 24 Ca -0.32 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.32 1ul7 h MET 24 Cb 2.05 -0.16 -0.05 0.00 0.06 0.00 0.00 31.60 33.50 1ul7 h MET 24 CO 0.14 0.46 0.28 0.52 1.06 0.00 0.00 176.91 179.37 1ul7 h MET 25 N 0.71 0.53 0.75 1.72 2.86 -1.67 0.18 114.93 120.00 1ul7 h MET 25 Ca 0.44 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 58.01 1ul7 h MET 25 Cb 0.66 -0.12 0.01 0.00 0.06 0.00 0.00 31.60 32.21 1ul7 h MET 25 CO -0.20 0.35 -0.36 -0.09 1.06 0.00 0.00 176.91 177.67 1ul7 h ARG 26 N 0.54 -0.97 -0.62 1.72 2.43 -1.39 -2.62 114.38 113.47 1ul7 h ARG 26 Ca 0.24 0.07 0.09 0.00 -0.81 0.00 0.00 59.98 59.56 1ul7 h ARG 26 Cb 0.15 0.22 -0.07 0.00 -0.42 0.00 0.00 29.97 29.85 1ul7 h ARG 26 CO -0.17 -0.63 0.26 1.49 -1.51 0.00 0.00 179.97 179.42 1ul7 h GLU 27 N -1.09 0.46 -0.72 0.20 4.57 -1.33 -0.91 114.58 115.77 1ul7 h GLU 27 Ca -0.10 -0.03 0.15 0.00 -1.18 0.00 0.00 59.36 58.20 1ul7 h GLU 27 Cb 0.79 -0.10 -0.10 0.00 -0.16 0.00 0.00 28.75 29.17 1ul7 h GLU 27 CO 0.17 0.30 0.19 0.82 -1.18 0.00 0.00 179.01 179.31 1ul7 h ILE 28 N 0.47 0.55 -0.07 2.32 2.04 -0.55 0.23 117.51 122.51 1ul7 h ILE 28 Ca 0.30 -0.10 -0.14 0.00 1.00 0.00 0.00 64.86 65.92 1ul7 h ILE 28 Cb 0.34 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1ul7 h ILE 28 CO -0.27 0.05 -0.60 0.03 0.00 0.00 0.00 178.15 177.36 1ul7 h ARG 29 N 0.29 0.24 -0.18 2.37 3.08 -0.93 -2.34 114.38 116.91 1ul7 h ARG 29 Ca 0.40 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 60.26 1ul7 h ARG 29 Cb 0.67 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 1ul7 h ARG 29 CO -0.48 0.77 0.00 -0.22 -1.07 0.00 0.00 179.97 178.97 1ul7 h LYS 30 N 0.18 0.31 0.65 0.04 3.64 0.50 -2.49 116.57 119.40 1ul7 h LYS 30 Ca -0.01 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.25 1ul7 h LYS 30 Cb 1.10 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1ul7 h LYS 30 CO 0.09 0.52 -0.31 0.28 -2.27 0.00 0.00 179.45 177.76 1ul7 h VAL 31 N 0.06 0.19 -0.73 2.00 2.07 -0.68 -3.12 116.25 116.04 1ul7 h VAL 31 Ca 0.05 -0.29 0.12 0.00 0.82 0.00 0.00 66.70 67.39 1ul7 h VAL 31 Cb 0.38 0.25 -0.13 0.00 -1.52 0.00 0.00 31.29 30.27 1ul7 h VAL 31 CO 0.01 0.02 -0.38 -0.07 0.02 0.00 0.00 177.57 177.17 1ul7 h LEU 32 N -1.12 -1.35 -1.47 2.57 3.38 -1.50 0.51 115.31 116.34 1ul7 h LEU 32 Ca -0.09 0.26 0.30 0.00 0.09 0.00 0.00 57.88 58.44 1ul7 h LEU 32 Cb 0.71 0.67 -0.09 0.00 0.09 0.00 0.00 40.66 42.04 1ul7 h LEU 32 CO 0.15 -0.30 0.72 1.23 0.09 0.00 0.00 178.44 180.33 1ul7 h GLY 33 N -0.12 1.04 0.98 0.83 0.00 -1.47 0.21 103.07 104.54 1ul7 h GLY 33 Ca 0.25 -0.16 -0.09 0.00 0.00 0.00 0.00 47.33 47.33 1ul7 h GLY 33 CO -0.79 -0.15 -0.13 0.00 0.00 0.00 0.00 176.54 175.47 1ul7 h ALA 34 N 1.58 0.53 -0.24 3.60 0.00 0.08 -2.99 119.26 121.83 1ul7 h ALA 34 Ca 0.62 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 1ul7 h ALA 34 Cb 1.78 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 19.37 1ul7 h ALA 34 CO -0.27 0.42 0.19 0.09 0.00 0.00 0.00 179.25 179.69 1ul7 n ASN 35 N -4.32 5.06 -4.29 0.00 3.02 0.67 -4.81 115.26 110.59 1ul7 n ASN 35 Ca -0.02 -2.63 -0.34 0.00 -0.03 0.00 0.00 54.58 51.57 1ul7 n ASN 35 Cb 0.38 -0.93 -0.09 0.00 -0.61 0.00 0.00 39.78 38.53 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 0.67 -0.07 -4.64 6.41 4.13 -1.13 -4.91 115.26 115.73 1ul7 n ASN 36 Ca 0.15 -1.21 -0.33 0.00 1.68 0.00 0.00 54.58 54.88 1ul7 n ASN 36 Cb 0.61 -1.52 -0.10 0.00 -1.54 0.00 0.00 39.78 37.24 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 -1.43 5.58 -0.04 0.00 1.01 0.29 -4.05 116.67 118.04 1ul7 s ASP 38 Ca 0.18 0.15 0.04 0.00 0.71 0.00 0.00 52.55 53.63 1ul7 s ASP 38 Cb -0.11 -1.83 -0.01 0.00 1.01 0.00 0.00 42.92 41.98 1ul7 s ASP 38 CO 0.08 0.27 -0.17 -0.72 0.21 0.00 0.00 175.17 174.84 1ul7 s TYR 39 N -0.21 1.65 -0.06 4.23 1.13 -1.25 0.13 117.35 122.97 1ul7 s TYR 39 Ca 0.07 -0.44 0.05 0.00 -1.41 0.00 0.00 57.07 55.34 1ul7 s TYR 39 Cb -0.12 -1.10 -0.02 0.00 -1.10 0.00 0.00 41.96 39.61 1ul7 s TYR 39 CO 0.02 -0.13 -0.19 -1.21 -2.51 0.00 0.00 175.55 171.52 1ul7 s GLU 40 N -0.06 2.54 -0.43 -3.49 2.02 -0.76 -4.86 118.70 113.67 1ul7 s GLU 40 Ca -0.01 -0.79 -0.28 0.00 0.02 0.00 0.00 54.97 53.90 1ul7 s GLU 40 Cb -0.10 -2.29 -0.01 0.00 0.10 0.00 0.00 34.13 31.83 1ul7 s GLU 40 CO 0.01 0.50 1.68 -1.14 0.02 0.00 0.00 175.26 176.34 1ul7 s GLN 41 N -0.44 3.25 0.00 1.61 -0.44 -1.26 -0.86 119.66 121.52 1ul7 s GLN 41 Ca 0.05 1.05 0.00 0.00 -2.50 0.00 0.00 55.36 53.96 1ul7 s GLN 41 Cb -0.12 -4.19 0.00 0.00 -1.64 0.00 0.00 33.01 27.06 1ul7 s GLN 41 CO 0.02 -1.97 0.00 0.54 0.50 0.00 0.00 175.29 174.38 1ul7 n ARG 42 N 8.52 0.00 -3.92 1.67 5.12 -0.68 -4.97 116.66 122.39 1ul7 n ARG 42 Ca 0.20 0.02 -0.26 0.00 -1.93 0.00 0.00 57.85 55.88 1ul7 n ARG 42 Cb 0.48 -0.30 -0.02 0.00 -1.16 0.00 0.00 32.46 31.47 1ul7 n ARG 42 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1ul7 s GLU 43 N -0.50 2.28 0.27 5.56 0.41 -0.75 -4.95 118.70 121.03 1ul7 s GLU 43 Ca 0.00 -1.95 0.00 0.00 -0.41 0.00 0.00 54.97 52.61 1ul7 s GLU 43 Cb 0.00 -2.09 0.63 0.00 -1.78 0.00 0.00 34.13 30.90 1ul7 s GLU 43 CO 0.00 -0.48 1.67 0.07 -0.49 0.00 0.00 175.26 176.03 1ul7 h ARG 44 N 0.91 0.26 -0.45 1.61 0.11 -2.02 -2.31 114.38 112.48 1ul7 h ARG 44 Ca -0.39 -0.02 -0.33 0.00 0.10 0.00 0.00 59.98 59.35 1ul7 h ARG 44 Cb 1.29 -0.06 -0.35 0.00 1.11 0.00 0.00 29.97 31.97 1ul7 h ARG 44 CO 0.60 0.17 -0.88 1.19 0.10 0.00 0.00 179.97 181.14 1ul7 n PHE 45 N -5.17 1.55 -4.15 4.08 3.72 -1.26 -5.04 117.46 111.19 1ul7 n PHE 45 Ca 0.19 -1.89 -0.16 0.00 -0.05 0.00 0.00 57.45 55.55 1ul7 n PHE 45 Cb 0.61 -0.27 -0.14 0.00 -0.94 0.00 0.00 39.48 38.73 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 -3.20 2.00 0.06 4.37 0.20 -0.87 -1.49 118.68 119.76 1ul7 s LEU 46 Ca 0.40 -0.09 0.00 0.00 0.69 0.00 0.00 54.13 55.13 1ul7 s LEU 46 Cb 0.37 -0.26 -0.04 0.00 -0.43 0.00 0.00 46.19 45.84 1ul7 s LEU 46 CO -0.03 0.06 -0.04 -0.76 -0.29 0.00 0.00 176.35 175.29 1ul7 s LEU 47 N -0.11 2.46 -0.49 -0.68 1.43 -0.33 -1.68 118.68 119.29 1ul7 s LEU 47 Ca 0.02 -0.94 -0.07 0.00 -1.03 0.00 0.00 54.13 52.11 1ul7 s LEU 47 Cb -0.02 0.09 0.13 0.00 0.03 0.00 0.00 46.19 46.41 1ul7 s LEU 47 CO -0.00 -0.51 0.34 0.12 0.23 0.00 0.00 176.35 176.53 1ul7 s PHE 48 N -3.49 3.48 0.41 0.29 2.19 -0.04 -0.76 117.98 120.06 1ul7 s PHE 48 Ca 0.06 -2.12 -0.23 0.00 0.33 0.00 0.00 56.93 54.97 1ul7 s PHE 48 Cb 0.05 -3.41 -0.09 0.00 -1.31 0.00 0.00 43.02 38.25 1ul7 s PHE 48 CO -0.07 -0.97 1.02 0.00 1.83 0.00 0.00 175.22 177.02 1ul7 s VAL 50 N -1.79 -0.11 0.06 0.00 1.01 0.34 -1.73 120.40 118.18 1ul7 s VAL 50 Ca 0.59 0.24 -0.01 0.00 0.00 0.00 0.00 61.98 62.80 1ul7 s VAL 50 Cb -0.18 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 1ul7 s VAL 50 CO 0.23 0.10 -0.01 -2.28 0.00 0.00 0.00 175.10 173.15 1ul7 s HIS 51 N 1.51 0.55 0.00 5.22 2.46 -0.02 -0.54 115.29 124.47 1ul7 s HIS 51 Ca -0.05 -1.07 0.00 0.00 0.47 0.00 0.00 55.06 54.41 1ul7 s HIS 51 Cb -0.12 -0.39 0.00 0.00 -0.13 0.00 0.00 32.58 31.95 1ul7 s HIS 51 CO -0.06 -0.41 0.00 0.41 -2.47 0.00 0.00 174.74 172.22 1ul7 n GLY 52 N 0.07 -0.00 3.81 1.59 0.00 -1.26 0.13 105.19 109.53 1ul7 n GLY 52 Ca -0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.92 0.43 0.00 1.61 2.03 -1.26 -4.53 116.55 111.91 1ul7 n ASP 53 Ca 0.00 -0.93 0.00 0.00 0.52 0.00 0.00 54.79 54.38 1ul7 n ASP 53 Cb 0.41 -1.15 0.00 0.00 -0.72 0.00 0.00 41.12 39.65 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 -1.99 -0.63 3.87 0.27 0.00 -1.26 -5.10 105.19 100.36 1ul7 n GLY 54 Ca -0.20 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 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 -4.00 2.69 0.11 1.61 3.76 -1.26 -4.98 115.29 113.22 1ul7 s HIS 55 Ca 0.00 0.73 -0.12 0.00 -0.15 0.00 0.00 55.06 55.53 1ul7 s HIS 55 Cb 0.00 -3.53 -0.14 0.00 1.11 0.00 0.00 32.58 30.03 1ul7 s HIS 55 CO 0.00 -2.03 1.32 0.00 -0.85 0.00 0.00 174.74 173.18 1ul7 h ALA 56 N -1.24 0.33 0.00 -1.40 0.00 -2.00 -2.95 119.26 112.00 1ul7 h ALA 56 Ca -0.47 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 53.84 1ul7 h ALA 56 Cb 1.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1ul7 h ALA 56 CO 0.62 0.69 0.00 0.39 0.00 0.00 0.00 179.25 180.95 1ul7 n GLU 57 N -3.93 0.94 -0.19 0.00 1.02 -1.26 -2.86 120.64 114.35 1ul7 n GLU 57 Ca -0.07 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.16 1ul7 n GLU 57 Cb 0.74 -1.31 0.15 0.00 -0.02 0.00 0.00 31.44 31.01 1ul7 n GLU 57 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ul7 n ASN 58 N -0.81 2.14 -4.77 1.62 5.03 -1.12 -5.06 115.26 112.30 1ul7 n ASN 58 Ca 0.14 -3.19 -0.38 0.00 0.87 0.00 0.00 54.58 52.01 1ul7 n ASN 58 Cb 0.06 -0.44 0.00 0.00 -1.02 0.00 0.00 39.78 38.39 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 -2.82 4.05 -0.06 3.41 2.96 -1.14 -4.75 118.68 120.33 1ul7 s LEU 59 Ca 0.32 2.50 0.04 0.00 -0.22 0.00 0.00 54.13 56.77 1ul7 s LEU 59 Cb 0.29 -4.14 -0.02 0.00 0.50 0.00 0.00 46.19 42.82 1ul7 s LEU 59 CO 0.01 -1.01 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.16 1ul7 s VAL 60 N -1.41 2.77 -0.03 1.68 1.01 0.12 -4.12 120.40 120.43 1ul7 s VAL 60 Ca 0.63 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1ul7 s VAL 60 Cb -0.34 -2.07 0.01 0.00 0.00 0.00 0.00 36.38 33.98 1ul7 s VAL 60 CO 0.41 0.58 -0.06 -1.10 0.00 0.00 0.00 175.10 174.93 1ul7 s GLN 61 N -0.45 0.70 -0.07 2.72 -0.21 -1.21 -0.84 119.66 120.29 1ul7 s GLN 61 Ca 0.05 -0.17 -0.23 0.00 0.02 0.00 0.00 55.36 55.03 1ul7 s GLN 61 Cb -0.12 -0.69 0.05 0.00 1.00 0.00 0.00 33.01 33.25 1ul7 s GLN 61 CO 0.02 0.03 0.53 1.67 -2.12 0.00 0.00 175.29 175.41 1ul7 s TRP 62 N 0.41 -0.49 0.49 0.91 -2.14 -0.71 -1.95 118.94 115.47 1ul7 s TRP 62 Ca -0.05 0.91 0.04 0.00 2.66 0.00 0.00 56.10 59.66 1ul7 s TRP 62 Cb -0.09 0.26 0.02 0.00 -3.10 0.00 0.00 33.47 30.56 1ul7 s TRP 62 CO 0.00 -0.46 0.69 -1.21 -2.66 0.00 0.00 176.95 173.30 1ul7 s GLU 63 N -0.91 2.67 -0.12 3.25 2.02 -1.24 -0.25 118.70 124.12 1ul7 s GLU 63 Ca -0.09 -0.98 -0.08 0.00 0.02 0.00 0.00 54.97 53.84 1ul7 s GLU 63 Cb -0.03 -2.61 0.04 0.00 0.10 0.00 0.00 34.13 31.64 1ul7 s GLU 63 CO 0.06 -0.52 0.31 -1.64 0.02 0.00 0.00 175.26 173.49 1ul7 s MET 64 N -4.58 0.31 0.00 1.61 -1.94 0.07 -3.66 119.30 111.10 1ul7 s MET 64 Ca 0.56 0.55 0.05 0.00 -1.71 0.00 0.00 55.69 55.14 1ul7 s MET 64 Cb -0.10 0.02 -0.01 0.00 2.01 0.00 0.00 34.83 36.74 1ul7 s MET 64 CO 0.36 -0.11 -0.15 -2.00 -0.01 0.00 0.00 175.02 173.10 1ul7 s GLU 65 N 0.85 1.18 -0.52 2.03 2.56 -1.23 -1.18 118.70 122.38 1ul7 s GLU 65 Ca -0.06 -0.61 -0.09 0.00 0.00 0.00 0.00 54.97 54.22 1ul7 s GLU 65 Cb -0.07 -1.17 0.13 0.00 2.00 0.00 0.00 34.13 35.03 1ul7 s GLU 65 CO -0.06 0.31 0.39 0.08 -0.56 0.00 0.00 175.26 175.43 1ul7 s VAL 66 N -0.48 4.24 0.28 3.70 1.01 -0.55 -0.79 120.40 127.80 1ul7 s VAL 66 Ca 0.05 -2.02 0.11 0.00 0.00 0.00 0.00 61.98 60.13 1ul7 s VAL 66 Cb -0.06 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 1ul7 s VAL 66 CO -0.00 -0.81 -0.15 0.00 0.00 0.00 0.00 175.10 174.14 1ul7 s LYS 68 N -3.55 4.00 0.11 0.00 -2.85 -1.26 -2.17 119.74 114.02 1ul7 s LYS 68 Ca 0.30 0.46 -0.23 0.00 -1.00 0.00 0.00 55.97 55.50 1ul7 s LYS 68 Cb -0.05 -3.24 -0.07 0.00 -2.06 0.00 0.00 37.83 32.40 1ul7 s LYS 68 CO 0.16 0.64 0.71 -0.51 0.10 0.00 0.00 175.35 176.45 1ul7 s LEU 69 N -0.94 4.54 0.09 2.77 1.43 0.71 -4.93 118.68 122.34 1ul7 s LEU 69 Ca 0.25 1.48 -0.16 0.00 -1.03 0.00 0.00 54.13 54.66 1ul7 s LEU 69 Cb -0.17 -3.15 -0.10 0.00 0.03 0.00 0.00 46.19 42.80 1ul7 s LEU 69 CO 0.14 0.18 1.41 1.55 0.23 0.00 0.00 176.35 179.86 1ul7 h PRO 70 N 4.73 0.64 0.00 1.29 0.13 -1.97 -0.60 132.00 136.22 1ul7 h PRO 70 Ca -0.47 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.33 1ul7 h PRO 70 Cb 1.21 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1ul7 h PRO 70 CO 0.67 0.94 -0.04 -0.09 -0.23 0.00 0.00 178.00 179.24 1ul7 h ARG 71 N 0.36 0.00 -0.40 0.86 2.43 -1.98 -3.35 114.38 112.29 1ul7 h ARG 71 Ca 0.04 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.32 1ul7 h ARG 71 Cb 0.82 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.35 1ul7 h ARG 71 CO 0.06 0.00 0.29 -0.07 -1.51 0.00 0.00 179.97 178.74 1ul7 h LEU 72 N -0.58 0.04 0.08 3.80 4.07 -2.00 -3.45 115.31 117.26 1ul7 h LEU 72 Ca 0.00 0.00 -0.37 0.00 0.08 0.00 0.00 57.88 57.59 1ul7 h LEU 72 Cb 0.04 -0.01 0.09 0.00 1.08 0.00 0.00 40.66 41.87 1ul7 h LEU 72 CO 0.00 0.02 -0.60 -1.20 -1.08 0.00 0.00 178.44 175.59 1ul7 n SER 73 N -4.43 -5.95 -3.72 -0.43 7.64 -0.23 -4.99 113.62 101.51 1ul7 n SER 73 Ca 0.06 -0.38 -0.20 0.00 1.01 0.00 0.00 58.87 59.37 1ul7 n SER 73 Cb 0.45 -4.68 -0.08 0.00 -1.01 0.00 0.00 64.21 58.89 1ul7 n SER 73 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ul7 s LEU 74 N -6.52 1.74 -0.21 -3.43 1.43 -1.24 -4.87 118.68 105.58 1ul7 s LEU 74 Ca 0.40 -1.68 -0.12 0.00 -1.03 0.00 0.00 54.13 51.71 1ul7 s LEU 74 Cb -0.18 0.32 -0.05 0.00 0.03 0.00 0.00 46.19 46.32 1ul7 s LEU 74 CO 0.50 -0.98 0.22 0.20 0.23 0.00 0.00 176.35 176.51 1ul7 s ASN 75 N -3.41 6.25 0.00 2.29 -0.87 -1.24 -0.21 114.94 117.75 1ul7 s ASN 75 Ca 0.36 0.28 0.00 0.00 -1.57 0.00 0.00 52.86 51.93 1ul7 s ASN 75 Cb 0.03 -2.14 0.00 0.00 -0.02 0.00 0.00 41.25 39.13 1ul7 s ASN 75 CO 0.21 0.08 0.00 0.61 -2.57 0.00 0.00 177.10 175.43 1ul7 n GLY 76 N 3.87 6.71 2.93 0.66 0.00 -0.92 -1.98 105.19 116.46 1ul7 n GLY 76 Ca -0.14 -1.99 -0.13 0.00 0.00 0.00 0.00 46.02 43.76 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 1.32 -0.04 0.15 1.61 1.01 -1.26 -4.11 120.40 119.08 1ul7 s VAL 77 Ca 0.00 0.16 -0.16 0.00 0.00 0.00 0.00 61.98 61.99 1ul7 s VAL 77 Cb 0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 36.38 36.08 1ul7 s VAL 77 CO 0.00 0.07 0.57 -0.60 0.00 0.00 0.00 175.10 175.14 1ul7 s ARG 78 N 1.05 4.04 -0.34 2.72 6.06 0.03 -4.72 118.95 127.80 1ul7 s ARG 78 Ca -0.08 0.57 -0.01 0.00 -2.50 0.00 0.00 55.73 53.71 1ul7 s ARG 78 Cb -0.10 -2.96 0.11 0.00 0.06 0.00 0.00 34.95 32.06 1ul7 s ARG 78 CO -0.05 0.49 0.14 -0.06 -2.50 0.00 0.00 175.30 173.31 1ul7 s PHE 79 N -1.43 1.49 -0.12 5.12 0.40 -1.26 -3.58 117.98 118.59 1ul7 s PHE 79 Ca 0.37 -1.75 -0.06 0.00 -0.60 0.00 0.00 56.93 54.89 1ul7 s PHE 79 Cb -0.16 -1.57 -0.04 0.00 0.51 0.00 0.00 43.02 41.77 1ul7 s PHE 79 CO 0.19 -0.85 0.10 0.21 0.70 0.00 0.00 175.22 175.58 1ul7 s LYS 80 N 1.38 3.39 -0.18 0.44 2.20 -1.24 -4.82 119.74 120.91 1ul7 s LYS 80 Ca 0.12 -0.21 -0.24 0.00 -0.36 0.00 0.00 55.97 55.28 1ul7 s LYS 80 Cb -0.19 -3.11 -0.02 0.00 -1.51 0.00 0.00 37.83 33.00 1ul7 s LYS 80 CO -0.19 0.72 0.79 1.03 -0.36 0.00 0.00 175.35 177.34 1ul7 s ARG 81 N -0.87 4.27 -0.00 4.03 0.52 -1.26 -3.62 118.95 122.02 1ul7 s ARG 81 Ca 0.14 0.93 -0.04 0.00 -0.52 0.00 0.00 55.73 56.24 1ul7 s ARG 81 Cb -0.12 -3.58 -0.01 0.00 0.52 0.00 0.00 34.95 31.76 1ul7 s ARG 81 CO 0.03 -0.33 -0.07 -0.89 0.02 0.00 0.00 175.30 174.07 1ul7 n ILE 82 N 4.77 0.74 -4.36 1.52 -0.00 -1.17 -5.03 119.36 115.82 1ul7 n ILE 82 Ca 0.03 0.25 -0.19 0.00 -0.00 0.00 0.00 62.75 62.85 1ul7 n ILE 82 Cb 0.49 -1.56 -0.10 0.00 -0.00 0.00 0.00 39.64 38.47 1ul7 n ILE 82 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.55 176.11 1ul7 s SER 83 N -5.37 2.55 0.00 4.38 0.01 -0.82 -5.00 113.70 109.44 1ul7 s SER 83 Ca -0.06 -1.07 0.00 0.00 1.31 0.00 0.00 55.95 56.13 1ul7 s SER 83 Cb 0.01 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.11 1ul7 s SER 83 CO 0.09 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.11 1ul7 n GLY 84 N -0.42 -2.05 3.42 3.44 0.00 -1.26 -3.33 105.19 104.99 1ul7 n GLY 84 Ca -0.07 -1.24 -0.29 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.45 0.00 -0.13 2.61 5.66 -1.26 -4.68 114.28 116.02 1ul7 n THR 85 Ca 0.00 -0.42 -0.04 0.00 -3.05 0.00 0.00 64.05 60.54 1ul7 n THR 85 Cb 0.00 -0.90 0.15 0.00 -1.55 0.00 0.00 70.33 68.03 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 -2.57 0.80 0.18 1.09 0.02 -1.98 -1.61 113.55 109.48 1ul7 h SER 86 Ca -0.60 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.17 1ul7 h SER 86 Cb 1.34 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.64 1ul7 h SER 86 CO 0.47 0.84 -0.38 0.40 -1.14 0.00 0.00 176.83 177.01 1ul7 h ILE 87 N 0.79 0.00 -0.44 3.27 2.04 -2.00 -0.90 117.51 120.27 1ul7 h ILE 87 Ca 0.16 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.01 1ul7 h ILE 87 Cb 0.41 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 1ul7 h ILE 87 CO 0.01 0.00 0.25 0.00 0.00 0.00 0.00 178.15 178.41 1ul7 h ALA 88 N -0.93 0.56 -0.79 1.87 0.00 -1.91 -2.23 119.26 115.84 1ul7 h ALA 88 Ca -0.02 -0.08 0.19 0.00 0.00 0.00 0.00 54.91 55.00 1ul7 h ALA 88 Cb 0.58 -0.18 -0.13 0.00 0.00 0.00 0.00 17.79 18.06 1ul7 h ALA 88 CO -0.16 0.07 0.12 0.35 0.00 0.00 0.00 179.25 179.63 1ul7 h PHE 89 N 0.58 0.16 -0.37 0.00 3.57 -1.05 0.95 116.94 120.77 1ul7 h PHE 89 Ca 0.16 0.05 -0.13 0.00 3.53 0.00 0.00 57.97 61.58 1ul7 h PHE 89 Cb 0.03 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1ul7 h PHE 89 CO -0.03 -0.19 -0.26 -0.22 -2.23 0.00 0.00 178.31 175.38 1ul7 h LYS 90 N 0.18 0.83 0.07 1.11 3.64 -0.88 -2.51 116.57 119.01 1ul7 h LYS 90 Ca 0.45 -0.40 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1ul7 h LYS 90 Cb 0.83 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.59 1ul7 h LYS 90 CO -0.62 1.03 -0.50 -0.91 -2.27 0.00 0.00 179.45 176.19 1ul7 h ASN 91 N 0.63 -1.52 0.44 4.20 2.35 -0.24 0.18 115.58 121.61 1ul7 h ASN 91 Ca 0.07 0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1ul7 h ASN 91 Cb 0.83 0.57 0.00 0.00 0.05 0.00 0.00 38.32 39.77 1ul7 h ASN 91 CO 0.07 -0.53 0.00 0.00 -1.65 0.00 0.00 177.43 175.32 1ul7 n ILE 92 N -5.47 1.13 0.14 2.81 0.13 -0.63 -2.36 119.36 115.10 1ul7 n ILE 92 Ca -0.07 0.32 -0.23 0.00 -1.10 0.00 0.00 62.75 61.66 1ul7 n ILE 92 Cb 0.40 -1.16 -0.15 0.00 -0.84 0.00 0.00 39.64 37.88 1ul7 n ILE 92 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1ul7 h ALA 93 N 2.34 -0.12 0.00 1.51 0.00 -0.25 -3.21 119.26 119.53 1ul7 h ALA 93 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1ul7 h ALA 93 Cb 0.22 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1ul7 h ALA 93 CO 0.00 0.74 0.00 0.45 0.00 0.00 0.00 179.25 180.44 1ul7 n SER 94 N -3.69 0.14 0.05 0.00 2.88 -0.30 -1.48 113.62 111.23 1ul7 n SER 94 Ca -0.15 0.54 0.04 0.00 -1.33 0.00 0.00 58.87 57.97 1ul7 n SER 94 Cb 1.09 -0.57 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 1ul7 n SER 94 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1ul7 n LYS 95 N -1.66 0.62 -0.09 -1.46 4.76 -1.21 -3.80 118.16 115.31 1ul7 n LYS 95 Ca 0.03 0.16 -0.12 0.00 -2.87 0.00 0.00 58.31 55.51 1ul7 n LYS 95 Cb 0.16 -1.79 -0.05 0.00 -1.84 0.00 0.00 35.03 31.51 1ul7 n LYS 95 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1ul7 n ILE 96 N -2.78 1.47 0.07 -0.18 2.08 -0.78 -2.70 119.36 116.55 1ul7 n ILE 96 Ca -0.07 0.08 0.21 0.00 0.56 0.00 0.00 62.75 63.53 1ul7 n ILE 96 Cb 0.74 -2.25 0.70 0.00 -0.75 0.00 0.00 39.64 38.08 1ul7 n ILE 96 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ul7 h ALA 97 N -0.89 2.16 0.00 -1.39 0.00 -1.48 -1.80 119.26 115.86 1ul7 h ALA 97 Ca -0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1ul7 h ALA 97 Cb 0.92 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1ul7 h ALA 97 CO -0.10 -0.78 -0.16 -1.71 0.00 0.00 0.00 179.25 176.50 1ul7 n ASN 98 N -3.57 0.50 -0.28 0.00 2.85 -1.25 -4.48 115.26 109.03 1ul7 n ASN 98 Ca 0.09 0.30 0.02 0.00 -0.11 0.00 0.00 54.58 54.88 1ul7 n ASN 98 Cb 0.73 -0.59 0.07 0.00 1.24 0.00 0.00 39.78 41.22 1ul7 n ASN 98 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1ul7 n GLU 99 N -2.92 -0.12 -1.14 1.20 -0.58 -1.10 -4.40 120.64 111.58 1ul7 n GLU 99 Ca -0.02 1.15 -0.52 0.00 -0.42 0.00 0.00 57.16 57.35 1ul7 n GLU 99 Cb 0.08 -1.72 -0.10 0.00 -0.57 0.00 0.00 31.44 29.14 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 -5.15 0.71 -1.86 -4.62 4.77 -0.69 -4.74 117.00 105.41 1ul7 n LEU 100 Ca 0.10 0.66 -0.11 0.00 -0.03 0.00 0.00 56.01 56.62 1ul7 n LEU 100 Cb 0.33 -0.76 -0.03 0.00 -2.33 0.00 0.00 43.42 40.63 1ul7 n LEU 100 CO -0.10 -0.67 1.27 0.29 -1.33 0.00 0.00 177.39 176.86 1ul7 n LYS 101 N 5.80 1.65 0.00 3.23 4.76 -1.26 -5.03 118.16 127.31 1ul7 n LYS 101 Ca 0.43 -1.02 0.09 0.00 -2.87 0.00 0.00 58.31 54.94 1ul7 n LYS 101 Cb -0.04 -1.55 0.08 0.00 -1.84 0.00 0.00 35.03 31.68 1ul7 n LYS 101 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31