#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 7.22 -3.64 1.61 3.41 -1.26 -4.86 113.62 116.11 1ul7 n SER 2 Ca 0.00 -3.54 -0.10 0.00 -0.26 0.00 0.00 58.87 54.98 1ul7 n SER 2 Cb 0.00 -1.04 -0.07 0.00 -0.26 0.00 0.00 64.21 62.84 1ul7 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ul7 s SER 3 N -0.94 -0.84 0.78 4.04 0.01 -1.26 -5.17 113.70 110.32 1ul7 s SER 3 Ca 0.53 1.44 -0.09 0.00 1.31 0.00 0.00 55.95 59.15 1ul7 s SER 3 Cb 0.41 1.40 0.11 0.00 0.21 0.00 0.00 66.02 68.14 1ul7 s SER 3 CO -0.09 -0.24 1.11 -0.83 0.41 0.00 0.00 173.24 173.60 1ul7 s GLY 4 N 1.09 1.71 0.21 3.44 0.00 -1.26 -5.01 107.32 107.50 1ul7 s GLY 4 Ca -0.06 -1.07 -0.30 0.00 0.00 0.00 0.00 44.72 43.29 1ul7 s GLY 4 CO -0.11 -0.55 1.45 -0.56 0.00 0.00 0.00 173.10 173.33 1ul7 s SER 5 N -4.64 6.68 -0.30 1.64 0.01 -1.26 -5.00 113.70 110.82 1ul7 s SER 5 Ca 0.64 2.60 -0.11 0.00 1.31 0.00 0.00 55.95 60.39 1ul7 s SER 5 Cb -0.08 -2.61 0.12 0.00 0.21 0.00 0.00 66.02 63.65 1ul7 s SER 5 CO 0.47 -0.71 0.66 -0.94 0.41 0.00 0.00 173.24 173.14 1ul7 s SER 6 N 0.61 -1.10 0.00 2.44 1.04 -1.26 -5.16 113.70 110.28 1ul7 s SER 6 Ca 0.62 1.56 0.00 0.00 0.48 0.00 0.00 55.95 58.61 1ul7 s SER 6 Cb -0.41 2.08 0.00 0.00 0.10 0.00 0.00 66.02 67.79 1ul7 s SER 6 CO 0.39 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.99 1ul7 n GLY 7 N 5.17 2.75 3.58 7.32 0.00 -1.26 -5.08 105.19 117.67 1ul7 n GLY 7 Ca -0.14 -1.89 -0.51 0.00 0.00 0.00 0.00 46.02 43.48 1ul7 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ul7 n ARG 8 N -1.68 1.06 -2.98 1.61 1.74 -1.26 -4.88 116.66 110.27 1ul7 n ARG 8 Ca 0.00 0.38 -0.44 0.00 -0.77 0.00 0.00 57.85 57.02 1ul7 n ARG 8 Cb 0.00 -1.96 -0.03 0.00 -1.02 0.00 0.00 32.46 29.45 1ul7 n ARG 8 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1ul7 s PHE 9 N 0.21 3.00 0.12 -1.55 0.08 -1.26 -5.00 117.98 113.58 1ul7 s PHE 9 Ca 0.81 -1.08 0.01 0.00 0.12 0.00 0.00 56.93 56.79 1ul7 s PHE 9 Cb -0.94 -4.18 -0.04 0.00 -0.57 0.00 0.00 43.02 37.28 1ul7 s PHE 9 CO 0.49 -1.45 -0.03 0.95 -0.10 0.00 0.00 175.22 175.08 1ul7 s THR 10 N 2.91 0.58 0.02 0.64 -4.23 -1.26 -5.11 115.64 109.20 1ul7 s THR 10 Ca 0.23 -1.93 -0.37 0.00 -1.18 0.00 0.00 61.69 58.44 1ul7 s THR 10 Cb -0.14 -1.84 -0.16 0.00 1.34 0.00 0.00 72.50 71.71 1ul7 s THR 10 CO 0.00 -0.72 1.44 0.79 -0.54 0.00 0.00 174.62 175.59 1ul7 n TRP 11 N -0.09 1.68 -3.32 3.99 5.03 -1.26 -4.96 117.44 118.50 1ul7 n TRP 11 Ca -0.10 0.58 -0.02 0.00 3.03 0.00 0.00 57.50 61.00 1ul7 n TRP 11 Cb 0.62 -2.38 -0.04 0.00 -1.03 0.00 0.00 31.31 28.48 1ul7 n TRP 11 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 1ul7 s SER 12 N 1.12 -0.80 0.20 -0.99 1.04 -1.26 -5.16 113.70 107.85 1ul7 s SER 12 Ca 0.87 0.81 -0.19 0.00 0.48 0.00 0.00 55.95 57.91 1ul7 s SER 12 Cb -0.95 1.82 0.04 0.00 0.10 0.00 0.00 66.02 67.03 1ul7 s SER 12 CO 0.50 -0.26 0.57 0.00 0.98 0.00 0.00 173.24 175.03 1ul7 s MET 13 N 2.76 1.43 -0.36 4.02 0.23 -1.26 -4.94 119.30 121.17 1ul7 s MET 13 Ca 0.13 -0.80 0.07 0.00 -1.03 0.00 0.00 55.69 54.05 1ul7 s MET 13 Cb -0.14 0.55 0.56 0.00 -1.53 0.00 0.00 34.83 34.27 1ul7 s MET 13 CO -0.18 -0.62 1.64 1.63 -2.03 0.00 0.00 175.02 175.45 1ul7 n LYS 14 N -0.37 2.03 -4.72 3.16 5.02 -1.26 -4.98 118.16 117.05 1ul7 n LYS 14 Ca -0.10 -3.16 -0.31 0.00 -2.02 0.00 0.00 58.31 52.72 1ul7 n LYS 14 Cb 0.62 -1.97 -0.13 0.00 -0.02 0.00 0.00 35.03 33.54 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 -3.34 2.86 0.01 -0.18 2.01 -1.26 -5.13 115.64 110.60 1ul7 s THR 15 Ca 0.50 -1.07 -0.06 0.00 0.31 0.00 0.00 61.69 61.37 1ul7 s THR 15 Cb 0.44 -2.18 -0.00 0.00 0.01 0.00 0.00 72.50 70.76 1ul7 s THR 15 CO 0.04 0.40 0.11 0.42 -0.69 0.00 0.00 174.62 174.89 1ul7 s THR 16 N -0.88 0.09 -0.07 -0.82 -4.23 -1.26 -4.61 115.64 103.85 1ul7 s THR 16 Ca 0.14 -0.76 -0.03 0.00 -1.18 0.00 0.00 61.69 59.86 1ul7 s THR 16 Cb -0.11 -0.44 0.04 0.00 1.34 0.00 0.00 72.50 73.34 1ul7 s THR 16 CO 0.04 -0.42 0.16 -0.94 -0.54 0.00 0.00 174.62 172.93 1ul7 s SER 17 N -1.46 -0.13 -0.13 3.99 1.04 -1.02 -4.89 113.70 111.11 1ul7 s SER 17 Ca -0.14 0.34 -0.29 0.00 0.48 0.00 0.00 55.95 56.34 1ul7 s SER 17 Cb -0.08 0.23 -0.26 0.00 0.10 0.00 0.00 66.02 66.01 1ul7 s SER 17 CO 0.01 -0.15 0.78 -1.28 0.98 0.00 0.00 173.24 173.58 1ul7 h SER 18 N 7.25 0.01 -1.73 7.02 0.87 -1.93 -2.96 113.55 122.09 1ul7 h SER 18 Ca -0.42 -0.99 -0.52 0.00 -1.23 0.00 0.00 61.79 58.63 1ul7 h SER 18 Cb 1.14 -0.00 0.16 0.00 -0.44 0.00 0.00 62.40 63.25 1ul7 h SER 18 CO 0.41 1.00 -0.99 1.15 -0.53 0.00 0.00 176.83 177.87 1ul7 n MET 19 N -4.60 0.00 -0.84 2.24 0.00 -1.26 -4.74 117.12 107.91 1ul7 n MET 19 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.29 1ul7 n MET 19 Cb 0.48 -0.87 0.15 0.00 0.00 0.00 0.00 33.22 32.98 1ul7 n MET 19 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 1ul7 s ASP 20 N -0.87 3.25 0.29 3.17 -4.77 -1.26 -4.77 116.67 111.72 1ul7 s ASP 20 Ca 0.50 2.16 0.25 0.00 -3.30 0.00 0.00 52.55 52.15 1ul7 s ASP 20 Cb -0.44 -2.56 1.04 0.00 -1.09 0.00 0.00 42.92 39.86 1ul7 s ASP 20 CO 0.57 -2.88 1.74 1.55 0.70 0.00 0.00 175.17 176.85 1ul7 h PRO 21 N -1.63 0.00 0.00 2.11 0.13 -1.96 -2.65 132.00 128.00 1ul7 h PRO 21 Ca -0.44 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.61 1ul7 h PRO 21 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1ul7 h PRO 21 CO 0.44 0.00 -0.39 1.03 -0.23 0.00 0.00 178.00 178.84 1ul7 h SER 22 N 0.00 0.00 0.36 1.44 0.87 -2.01 -3.18 113.55 111.03 1ul7 h SER 22 Ca 0.00 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.24 1ul7 h SER 22 Cb 0.37 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.29 1ul7 h SER 22 CO 0.00 0.39 -1.85 0.47 -0.53 0.00 0.00 176.83 175.31 1ul7 n ASP 23 N -3.38 1.04 0.35 6.23 8.00 -1.01 -4.36 116.55 123.42 1ul7 n ASP 23 Ca 0.01 0.32 -0.17 0.00 0.71 0.00 0.00 54.79 55.66 1ul7 n ASP 23 Cb 0.58 -0.11 -0.09 0.00 -0.02 0.00 0.00 41.12 41.48 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 0.01 -0.98 -0.86 -1.24 2.86 -1.53 -2.27 114.93 110.92 1ul7 h MET 24 Ca -0.34 0.07 0.25 0.00 -2.06 0.00 0.00 59.70 57.61 1ul7 h MET 24 Cb 2.04 0.22 -0.16 0.00 0.06 0.00 0.00 31.60 33.76 1ul7 h MET 24 CO 0.07 -0.66 0.06 -1.33 1.06 0.00 0.00 176.91 176.12 1ul7 n MET 25 N -5.20 -0.07 0.40 1.72 2.81 -1.20 -0.06 117.12 115.53 1ul7 n MET 25 Ca -0.12 1.27 -0.18 0.00 -1.81 0.00 0.00 57.70 56.86 1ul7 n MET 25 Cb 0.44 -2.05 -0.09 0.00 -0.71 0.00 0.00 33.22 30.81 1ul7 n MET 25 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1ul7 h ARG 26 N 0.00 -0.98 0.07 0.03 2.43 -1.67 -3.20 114.38 111.06 1ul7 h ARG 26 Ca 0.54 0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.80 1ul7 h ARG 26 Cb 1.16 0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 30.89 1ul7 h ARG 26 CO -0.79 -0.64 -0.30 1.49 -1.51 0.00 0.00 179.97 178.22 1ul7 h GLU 27 N -1.12 -0.48 -1.39 0.20 4.81 0.09 -0.69 114.58 116.00 1ul7 h GLU 27 Ca -0.10 0.03 0.40 0.00 -0.13 0.00 0.00 59.36 59.56 1ul7 h GLU 27 Cb 0.80 0.11 -0.06 0.00 0.63 0.00 0.00 28.75 30.23 1ul7 h GLU 27 CO 0.17 -0.32 1.18 -0.89 -0.73 0.00 0.00 179.01 178.43 1ul7 n ILE 28 N -5.41 0.00 -0.06 2.32 5.41 0.90 0.16 119.36 122.69 1ul7 n ILE 28 Ca -0.06 1.23 -0.21 0.00 1.00 0.00 0.00 62.75 64.71 1ul7 n ILE 28 Cb 0.32 -2.10 -0.13 0.00 -0.71 0.00 0.00 39.64 37.01 1ul7 n ILE 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1ul7 n ARG 29 N -3.40 0.69 0.29 0.38 1.74 -0.36 -3.25 116.66 112.75 1ul7 n ARG 29 Ca 0.31 0.27 0.18 0.00 -0.77 0.00 0.00 57.85 57.85 1ul7 n ARG 29 Cb 1.60 -1.65 0.95 0.00 -1.02 0.00 0.00 32.46 32.35 1ul7 n ARG 29 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1ul7 h LYS 30 N -0.16 0.00 0.05 5.56 2.10 0.25 -1.69 116.57 122.69 1ul7 h LYS 30 Ca -0.48 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 57.84 1ul7 h LYS 30 Cb 1.88 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 33.17 1ul7 h LYS 30 CO -0.04 0.00 -1.83 0.28 -2.00 0.00 0.00 179.45 175.86 1ul7 n VAL 31 N -3.30 1.64 0.06 0.07 0.31 -0.29 -4.03 118.33 112.79 1ul7 n VAL 31 Ca -0.01 -0.39 -0.03 0.00 -0.01 0.00 0.00 64.34 63.91 1ul7 n VAL 31 Cb 0.26 -1.83 -0.01 0.00 -0.91 0.00 0.00 33.84 31.35 1ul7 n VAL 31 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1ul7 h LEU 32 N -0.45 -0.19 -1.64 7.52 3.38 -1.36 -2.33 115.31 120.24 1ul7 h LEU 32 Ca -0.44 0.01 0.34 0.00 0.09 0.00 0.00 57.88 57.88 1ul7 h LEU 32 Cb 1.71 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 42.47 1ul7 h LEU 32 CO -0.09 -0.11 1.05 1.23 0.09 0.00 0.00 178.44 180.60 1ul7 h GLY 33 N -0.18 0.00 1.04 0.83 0.00 -1.46 0.76 103.07 104.05 1ul7 h GLY 33 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.17 1ul7 h GLY 33 CO 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 176.54 176.18 1ul7 h ALA 34 N 1.00 0.46 -0.21 3.60 0.00 -1.57 -2.91 119.26 119.63 1ul7 h ALA 34 Ca 0.56 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1ul7 h ALA 34 Cb 2.65 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 20.34 1ul7 h ALA 34 CO -0.01 0.54 0.04 0.09 0.00 0.00 0.00 179.25 179.91 1ul7 n ASN 35 N -4.16 2.64 -2.43 0.00 3.02 0.26 -4.83 115.26 109.77 1ul7 n ASN 35 Ca -0.04 -2.34 -0.19 0.00 -0.03 0.00 0.00 54.58 51.99 1ul7 n ASN 35 Cb 0.53 -0.57 0.01 0.00 -0.61 0.00 0.00 39.78 39.14 1ul7 n ASN 35 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1ul7 n ASN 36 N 0.16 -5.50 -4.91 6.41 2.85 -1.09 -4.99 115.26 108.20 1ul7 n ASN 36 Ca 0.11 -0.15 -0.29 0.00 -0.11 0.00 0.00 54.58 54.14 1ul7 n ASN 36 Cb 0.61 -4.43 -0.03 0.00 1.24 0.00 0.00 39.78 37.17 1ul7 n ASN 36 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ul7 s ASP 38 N -3.12 4.90 0.15 0.00 1.01 -0.21 -3.98 116.67 115.42 1ul7 s ASP 38 Ca 0.44 -0.71 0.07 0.00 0.71 0.00 0.00 52.55 53.05 1ul7 s ASP 38 Cb -0.11 -1.83 -0.04 0.00 1.01 0.00 0.00 42.92 41.96 1ul7 s ASP 38 CO 0.29 -0.16 -0.02 -0.72 0.21 0.00 0.00 175.17 174.77 1ul7 s TYR 39 N 1.46 2.83 0.05 4.23 1.13 -1.25 0.19 117.35 125.99 1ul7 s TYR 39 Ca 0.02 -0.13 -0.00 0.00 -1.41 0.00 0.00 57.07 55.55 1ul7 s TYR 39 Cb -0.17 -1.40 -0.04 0.00 -1.10 0.00 0.00 41.96 39.26 1ul7 s TYR 39 CO 0.01 0.50 -0.04 -2.00 -2.51 0.00 0.00 175.55 171.51 1ul7 s GLU 40 N -2.75 0.60 -0.86 -3.49 2.56 -0.56 -4.92 118.70 109.29 1ul7 s GLU 40 Ca 0.26 -1.11 -0.20 0.00 0.00 0.00 0.00 54.97 53.92 1ul7 s GLU 40 Cb -0.10 0.08 0.10 0.00 2.00 0.00 0.00 34.13 36.21 1ul7 s GLU 40 CO 0.18 -0.07 1.11 -1.14 -0.56 0.00 0.00 175.26 174.78 1ul7 s GLN 41 N -3.32 3.45 0.00 4.30 -0.44 -1.26 -2.16 119.66 120.23 1ul7 s GLN 41 Ca 0.03 -1.41 0.00 0.00 -2.50 0.00 0.00 55.36 51.48 1ul7 s GLN 41 Cb 0.03 -4.76 0.00 0.00 -1.64 0.00 0.00 33.01 26.65 1ul7 s GLN 41 CO -0.07 -1.84 0.00 0.54 0.50 0.00 0.00 175.29 174.43 1ul7 n ARG 42 N 7.16 0.00 -4.33 1.67 5.12 -0.75 -4.99 116.66 120.54 1ul7 n ARG 42 Ca 0.16 0.22 -0.28 0.00 -1.93 0.00 0.00 57.85 56.02 1ul7 n ARG 42 Cb 0.48 -0.68 -0.06 0.00 -1.16 0.00 0.00 32.46 31.04 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 2.19 0.21 5.56 2.02 0.14 -4.95 118.70 123.37 1ul7 s GLU 43 Ca 0.00 -2.10 -0.20 0.00 0.02 0.00 0.00 54.97 52.69 1ul7 s GLU 43 Cb 0.00 -1.83 0.18 0.00 0.10 0.00 0.00 34.13 32.58 1ul7 s GLU 43 CO 0.00 -0.32 1.56 0.00 0.02 0.00 0.00 175.26 176.53 1ul7 h ARG 44 N 1.27 -0.06 -0.28 1.61 3.08 -2.02 -1.82 114.38 116.16 1ul7 h ARG 44 Ca -0.42 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.43 1ul7 h ARG 44 Cb 1.28 0.01 -0.17 0.00 0.08 0.00 0.00 29.97 31.18 1ul7 h ARG 44 CO 0.69 -0.04 -0.63 1.19 -1.07 0.00 0.00 179.97 180.11 1ul7 n PHE 45 N -5.45 1.02 -4.24 3.04 3.01 -1.26 -5.01 117.46 108.56 1ul7 n PHE 45 Ca 0.07 -1.76 -0.17 0.00 1.01 0.00 0.00 57.45 56.60 1ul7 n PHE 45 Cb 0.38 -0.28 -0.15 0.00 -0.01 0.00 0.00 39.48 39.42 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 -3.34 1.93 0.11 4.37 0.20 -0.69 -2.50 118.68 118.77 1ul7 s LEU 46 Ca 0.43 -0.12 0.01 0.00 0.69 0.00 0.00 54.13 55.13 1ul7 s LEU 46 Cb 0.38 -0.37 -0.04 0.00 -0.43 0.00 0.00 46.19 45.74 1ul7 s LEU 46 CO -0.03 0.07 -0.03 -0.76 -0.29 0.00 0.00 176.35 175.31 1ul7 s LEU 47 N -0.04 2.32 -0.24 -0.68 1.43 -0.22 -0.69 118.68 120.56 1ul7 s LEU 47 Ca 0.01 -1.07 -0.02 0.00 -1.03 0.00 0.00 54.13 52.01 1ul7 s LEU 47 Cb -0.04 0.02 0.02 0.00 0.03 0.00 0.00 46.19 46.21 1ul7 s LEU 47 CO -0.00 -0.54 -0.05 0.12 0.23 0.00 0.00 176.35 176.10 1ul7 s PHE 48 N -3.73 3.04 0.16 0.29 2.19 -0.92 -0.80 117.98 118.21 1ul7 s PHE 48 Ca 0.16 -1.37 -0.04 0.00 0.33 0.00 0.00 56.93 56.00 1ul7 s PHE 48 Cb 0.06 -2.08 -0.05 0.00 -1.31 0.00 0.00 43.02 39.64 1ul7 s PHE 48 CO -0.03 -0.68 0.38 0.00 1.83 0.00 0.00 175.22 176.73 1ul7 s VAL 50 N -1.71 -0.33 -0.01 0.00 1.01 0.13 -2.28 120.40 117.21 1ul7 s VAL 50 Ca 0.41 0.27 -0.04 0.00 0.00 0.00 0.00 61.98 62.62 1ul7 s VAL 50 Cb -0.12 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.86 1ul7 s VAL 50 CO 0.25 0.11 0.08 -2.28 0.00 0.00 0.00 175.10 173.27 1ul7 s HIS 51 N 2.19 0.02 -0.51 5.22 2.46 -0.62 -1.05 115.29 123.01 1ul7 s HIS 51 Ca -0.00 -0.03 0.06 0.00 0.47 0.00 0.00 55.06 55.56 1ul7 s HIS 51 Cb -0.12 -0.04 0.37 0.00 -0.13 0.00 0.00 32.58 32.66 1ul7 s HIS 51 CO -0.08 -0.14 0.96 0.41 -2.47 0.00 0.00 174.74 173.42 1ul7 n GLY 52 N 2.29 5.28 0.50 1.59 0.00 -1.26 -0.34 105.19 113.24 1ul7 n GLY 52 Ca -0.18 -2.58 0.41 0.00 0.00 0.00 0.00 46.02 43.67 1ul7 n GLY 52 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1ul7 h ASP 53 N 2.89 0.19 0.00 1.61 1.82 -1.94 -3.38 116.42 117.60 1ul7 h ASP 53 Ca 0.16 0.14 0.00 0.00 -0.39 0.00 0.00 57.03 56.93 1ul7 h ASP 53 Cb 0.69 0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.84 1ul7 h ASP 53 CO 0.77 -0.22 0.00 0.61 -1.61 0.00 0.00 179.24 178.79 1ul7 n GLY 54 N -1.56 0.67 3.97 -0.78 0.00 -1.26 -5.12 105.19 101.11 1ul7 n GLY 54 Ca 0.40 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.21 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 3.77 3.08 0.14 1.61 3.76 -1.26 -4.95 115.29 121.44 1ul7 s HIS 55 Ca 0.00 0.04 -0.23 0.00 -0.15 0.00 0.00 55.06 54.73 1ul7 s HIS 55 Cb 0.00 -2.37 0.01 0.00 1.11 0.00 0.00 32.58 31.32 1ul7 s HIS 55 CO 0.00 -0.43 1.64 0.00 -0.85 0.00 0.00 174.74 175.10 1ul7 h ALA 56 N 0.42 -0.13 0.00 -1.40 0.00 -1.99 0.32 119.26 116.48 1ul7 h ALA 56 Ca -0.45 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1ul7 h ALA 56 Cb 1.27 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1ul7 h ALA 56 CO 0.54 -0.65 0.00 -0.85 0.00 0.00 0.00 179.25 178.29 1ul7 n GLU 57 N -5.35 0.10 -0.48 0.00 0.28 -1.26 -1.53 120.64 112.39 1ul7 n GLU 57 Ca -0.02 0.24 0.06 0.00 -0.16 0.00 0.00 57.16 57.27 1ul7 n GLU 57 Cb 0.27 -1.50 0.19 0.00 1.43 0.00 0.00 31.44 31.83 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 -1.34 2.11 -4.77 -1.84 3.02 0.10 -5.02 115.26 107.52 1ul7 n ASN 58 Ca 0.04 -3.62 -0.34 0.00 -0.03 0.00 0.00 54.58 50.63 1ul7 n ASN 58 Cb 0.08 -0.52 0.03 0.00 -0.61 0.00 0.00 39.78 38.76 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 -3.12 3.51 -0.09 3.41 0.20 -0.58 -4.48 118.68 117.54 1ul7 s LEU 59 Ca 0.38 2.08 0.04 0.00 0.69 0.00 0.00 54.13 57.31 1ul7 s LEU 59 Cb 0.35 -4.56 0.00 0.00 -0.43 0.00 0.00 46.19 41.55 1ul7 s LEU 59 CO -0.02 -1.51 -0.22 -0.69 -0.29 0.00 0.00 176.35 173.62 1ul7 s VAL 60 N -2.12 1.89 -0.05 1.68 1.01 0.53 -4.11 120.40 119.24 1ul7 s VAL 60 Ca 0.69 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.79 1ul7 s VAL 60 Cb -0.22 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 1ul7 s VAL 60 CO 0.36 0.52 -0.20 -1.10 0.00 0.00 0.00 175.10 174.69 1ul7 s GLN 61 N 0.29 2.03 -0.01 2.72 -0.21 -1.25 -1.59 119.66 121.64 1ul7 s GLN 61 Ca -0.15 -0.71 -0.16 0.00 0.02 0.00 0.00 55.36 54.35 1ul7 s GLN 61 Cb -0.17 -1.76 0.03 0.00 1.00 0.00 0.00 33.01 32.11 1ul7 s GLN 61 CO 0.07 0.30 0.34 1.67 -2.12 0.00 0.00 175.29 175.55 1ul7 s TRP 62 N -0.05 -0.22 0.52 0.91 -2.14 -0.97 0.15 118.94 117.15 1ul7 s TRP 62 Ca -0.03 0.33 0.04 0.00 2.66 0.00 0.00 56.10 59.10 1ul7 s TRP 62 Cb -0.12 0.12 0.04 0.00 -3.10 0.00 0.00 33.47 30.41 1ul7 s TRP 62 CO 0.03 -0.41 0.72 -1.21 -2.66 0.00 0.00 176.95 173.41 1ul7 s GLU 63 N -1.36 2.57 -0.16 3.25 2.02 -0.39 -0.01 118.70 124.62 1ul7 s GLU 63 Ca -0.13 -1.02 -0.04 0.00 0.02 0.00 0.00 54.97 53.79 1ul7 s GLU 63 Cb -0.05 -2.58 0.08 0.00 0.10 0.00 0.00 34.13 31.68 1ul7 s GLU 63 CO 0.04 -0.62 0.28 -1.64 0.02 0.00 0.00 175.26 173.34 1ul7 s MET 64 N -4.64 0.19 0.02 1.61 -1.94 0.02 -3.39 119.30 111.18 1ul7 s MET 64 Ca 0.57 0.62 0.04 0.00 -1.71 0.00 0.00 55.69 55.22 1ul7 s MET 64 Cb -0.10 -0.32 -0.02 0.00 2.01 0.00 0.00 34.83 36.41 1ul7 s MET 64 CO 0.37 -0.41 -0.13 -2.00 -0.01 0.00 0.00 175.02 172.84 1ul7 s GLU 65 N 2.43 0.95 -0.56 2.03 2.12 -1.19 -1.06 118.70 123.43 1ul7 s GLU 65 Ca 0.04 -0.65 -0.17 0.00 0.36 0.00 0.00 54.97 54.55 1ul7 s GLU 65 Cb -0.13 -0.94 0.12 0.00 0.26 0.00 0.00 34.13 33.44 1ul7 s GLU 65 CO -0.10 0.24 0.57 0.08 -0.54 0.00 0.00 175.26 175.50 1ul7 s VAL 66 N -0.67 5.10 0.38 3.70 1.01 -1.04 0.37 120.40 129.25 1ul7 s VAL 66 Ca 0.02 -1.37 0.08 0.00 0.00 0.00 0.00 61.98 60.71 1ul7 s VAL 66 Cb -0.07 -4.39 -0.05 0.00 0.00 0.00 0.00 36.38 31.87 1ul7 s VAL 66 CO 0.01 -0.95 0.13 0.00 0.00 0.00 0.00 175.10 174.28 1ul7 s LYS 68 N -3.84 2.50 -0.09 0.00 -2.85 -1.26 0.14 119.74 114.34 1ul7 s LYS 68 Ca 0.39 -1.01 -0.08 0.00 -1.00 0.00 0.00 55.97 54.27 1ul7 s LYS 68 Cb 0.02 -2.44 -0.04 0.00 -2.06 0.00 0.00 37.83 33.31 1ul7 s LYS 68 CO 0.22 0.48 0.18 -0.51 0.10 0.00 0.00 175.35 175.81 1ul7 s LEU 69 N -2.81 4.40 0.12 2.77 1.43 -1.10 -4.92 118.68 118.57 1ul7 s LEU 69 Ca 0.27 0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 53.77 1ul7 s LEU 69 Cb -0.10 -2.19 -0.06 0.00 0.03 0.00 0.00 46.19 43.87 1ul7 s LEU 69 CO 0.19 0.38 1.45 1.55 0.23 0.00 0.00 176.35 180.16 1ul7 h PRO 70 N 4.83 0.85 -0.16 1.29 0.13 -2.00 -3.27 132.00 133.67 1ul7 h PRO 70 Ca -0.54 -0.44 -0.06 0.00 -0.87 0.00 0.00 66.00 64.08 1ul7 h PRO 70 Cb 1.22 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1ul7 h PRO 70 CO 0.59 1.08 -0.15 0.00 -0.23 0.00 0.00 178.00 179.30 1ul7 h ARG 71 N 0.64 0.39 0.00 0.86 2.47 -1.99 -3.45 114.38 113.29 1ul7 h ARG 71 Ca 0.06 -0.20 -0.42 0.00 -1.26 0.00 0.00 59.98 58.16 1ul7 h ARG 71 Cb 0.93 0.00 0.07 0.00 -1.65 0.00 0.00 29.97 29.32 1ul7 h ARG 71 CO 0.08 0.75 0.09 1.28 0.56 0.00 0.00 179.97 182.73 1ul7 n LEU 72 N -4.54 0.00 -0.21 3.04 4.32 -1.23 -5.04 117.00 113.34 1ul7 n LEU 72 Ca -0.06 -1.95 0.09 0.00 -0.02 0.00 0.00 56.01 54.07 1ul7 n LEU 72 Cb 0.36 -0.57 0.15 0.00 -1.62 0.00 0.00 43.42 41.74 1ul7 n LEU 72 CO 0.40 -0.92 0.51 -1.20 -1.22 0.00 0.00 177.39 174.96 1ul7 n SER 73 N -2.86 2.12 -4.64 -1.43 7.64 -1.26 -4.58 113.62 108.60 1ul7 n SER 73 Ca 0.15 -3.20 -0.29 0.00 1.01 0.00 0.00 58.87 56.54 1ul7 n SER 73 Cb 0.54 -0.44 -0.10 0.00 -1.01 0.00 0.00 64.21 63.19 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 -2.81 2.77 -0.09 -3.43 1.02 -1.26 -5.01 118.68 109.86 1ul7 s LEU 74 Ca 0.32 -1.42 -0.02 0.00 0.02 0.00 0.00 54.13 53.03 1ul7 s LEU 74 Cb 0.29 -0.86 -0.03 0.00 0.02 0.00 0.00 46.19 45.60 1ul7 s LEU 74 CO 0.01 -0.52 -0.01 0.20 0.02 0.00 0.00 176.35 176.05 1ul7 s ASN 75 N -3.74 5.16 0.30 2.29 0.01 -1.12 -2.70 114.94 115.14 1ul7 s ASN 75 Ca 0.30 0.11 0.10 0.00 -0.71 0.00 0.00 52.86 52.66 1ul7 s ASN 75 Cb 0.09 -1.46 -0.06 0.00 0.41 0.00 0.00 41.25 40.23 1ul7 s ASN 75 CO 0.15 0.36 -0.14 -0.83 -1.51 0.00 0.00 177.10 175.14 1ul7 s GLY 76 N -0.80 1.99 0.29 0.66 0.00 0.12 -2.42 107.32 107.17 1ul7 s GLY 76 Ca 0.12 -1.96 -0.19 0.00 0.00 0.00 0.00 44.72 42.69 1ul7 s GLY 76 CO 0.02 -1.97 0.78 0.14 0.00 0.00 0.00 173.10 172.06 1ul7 s VAL 77 N -2.63 4.55 -0.39 1.40 1.01 -1.26 -1.85 120.40 121.23 1ul7 s VAL 77 Ca 0.31 1.24 -0.12 0.00 0.00 0.00 0.00 61.98 63.40 1ul7 s VAL 77 Cb -0.01 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.65 1ul7 s VAL 77 CO 0.15 -0.00 0.24 -0.60 0.00 0.00 0.00 175.10 174.89 1ul7 s ARG 78 N -2.49 2.84 -0.52 2.72 3.00 0.16 -4.92 118.95 119.74 1ul7 s ARG 78 Ca 0.50 -1.12 -0.16 0.00 -1.00 0.00 0.00 55.73 53.95 1ul7 s ARG 78 Cb -0.14 -3.81 0.11 0.00 0.00 0.00 0.00 34.95 31.11 1ul7 s ARG 78 CO 0.19 -0.75 0.49 -0.06 0.00 0.00 0.00 175.30 175.17 1ul7 s PHE 79 N 1.57 3.22 -0.15 5.12 0.40 -1.26 -3.14 117.98 123.74 1ul7 s PHE 79 Ca 0.03 -1.13 -0.01 0.00 -0.60 0.00 0.00 56.93 55.22 1ul7 s PHE 79 Cb -0.20 -3.63 -0.01 0.00 0.51 0.00 0.00 43.02 39.69 1ul7 s PHE 79 CO 0.07 -0.98 -0.12 0.21 0.70 0.00 0.00 175.22 175.10 1ul7 s LYS 80 N 1.75 3.34 0.21 0.44 2.20 -1.22 -4.98 119.74 121.49 1ul7 s LYS 80 Ca 0.04 -0.69 -0.20 0.00 -0.36 0.00 0.00 55.97 54.77 1ul7 s LYS 80 Cb -0.27 -2.69 -0.08 0.00 -1.51 0.00 0.00 37.83 33.27 1ul7 s LYS 80 CO 0.05 0.09 0.71 0.50 -0.36 0.00 0.00 175.35 176.35 1ul7 s ARG 81 N 0.66 4.25 -0.02 4.03 3.52 -1.26 -1.26 118.95 128.87 1ul7 s ARG 81 Ca -0.06 0.86 -0.02 0.00 -0.13 0.00 0.00 55.73 56.37 1ul7 s ARG 81 Cb -0.15 -2.90 -0.02 0.00 -1.56 0.00 0.00 34.95 30.32 1ul7 s ARG 81 CO 0.02 0.41 -0.05 -0.89 -0.81 0.00 0.00 175.30 173.98 1ul7 n ILE 82 N 0.78 0.47 -4.35 4.11 2.08 0.12 -4.94 119.36 117.63 1ul7 n ILE 82 Ca -0.03 0.04 -0.18 0.00 0.56 0.00 0.00 62.75 63.14 1ul7 n ILE 82 Cb 0.51 -1.59 -0.10 0.00 -0.75 0.00 0.00 39.64 37.70 1ul7 n ILE 82 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1ul7 s SER 83 N -5.52 1.73 0.00 4.38 0.15 -1.19 -4.96 113.70 108.29 1ul7 s SER 83 Ca -0.06 -1.31 0.00 0.00 0.70 0.00 0.00 55.95 55.28 1ul7 s SER 83 Cb 0.02 0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 1ul7 s SER 83 CO 0.07 -0.61 0.00 0.61 1.20 0.00 0.00 173.24 174.51 1ul7 n GLY 84 N -0.50 -1.03 3.89 9.45 0.00 -1.26 -3.94 105.19 111.81 1ul7 n GLY 84 Ca -0.03 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.79 4.71 0.23 2.61 -1.32 -1.26 -4.77 115.64 113.04 1ul7 s THR 85 Ca 0.00 0.58 -0.15 0.00 -1.21 0.00 0.00 61.69 60.91 1ul7 s THR 85 Cb 0.00 -3.84 0.26 0.00 -1.51 0.00 0.00 72.50 67.41 1ul7 s THR 85 CO 0.00 -1.00 1.58 0.77 -2.21 0.00 0.00 174.62 173.76 1ul7 h SER 86 N -0.12 -1.07 -0.22 8.08 4.64 -1.98 0.26 113.55 123.14 1ul7 h SER 86 Ca -0.45 0.26 0.06 0.00 -0.47 0.00 0.00 61.79 61.19 1ul7 h SER 86 Cb 1.20 0.60 -0.06 0.00 -0.31 0.00 0.00 62.40 63.83 1ul7 h SER 86 CO 0.62 -0.29 -0.21 0.40 -0.87 0.00 0.00 176.83 176.48 1ul7 h ILE 87 N -0.05 0.46 -0.65 0.95 5.03 -1.98 0.19 117.51 121.46 1ul7 h ILE 87 Ca 0.34 0.00 0.01 0.00 -0.12 0.00 0.00 64.86 65.09 1ul7 h ILE 87 Cb 0.59 0.46 -0.04 0.00 -3.03 0.00 0.00 36.82 34.81 1ul7 h ILE 87 CO -0.85 0.00 0.42 0.00 -0.68 0.00 0.00 178.15 177.04 1ul7 h ALA 88 N 0.86 0.84 0.63 1.87 0.00 -1.23 0.12 119.26 122.35 1ul7 h ALA 88 Ca 0.13 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1ul7 h ALA 88 Cb 0.41 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1ul7 h ALA 88 CO -0.34 0.22 -0.30 0.35 0.00 0.00 0.00 179.25 179.17 1ul7 h PHE 89 N 0.86 -0.79 -0.66 0.00 3.57 0.21 -2.77 116.94 117.36 1ul7 h PHE 89 Ca 0.25 -0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.87 1ul7 h PHE 89 Cb -0.06 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 1ul7 h PHE 89 CO -0.03 -0.49 0.45 0.87 -2.23 0.00 0.00 178.31 176.87 1ul7 h LYS 90 N -0.89 0.28 -0.68 1.11 1.57 -0.63 0.10 116.57 117.43 1ul7 h LYS 90 Ca -0.09 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1ul7 h LYS 90 Cb 0.65 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.84 1ul7 h LYS 90 CO 0.14 0.18 0.36 -0.91 -0.57 0.00 0.00 179.45 178.66 1ul7 h ASN 91 N 0.28 0.52 0.48 0.86 4.21 -0.55 1.00 115.58 122.38 1ul7 h ASN 91 Ca 0.32 0.04 -0.30 0.00 1.21 0.00 0.00 56.30 57.57 1ul7 h ASN 91 Cb 0.85 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.98 1ul7 h ASN 91 CO -0.07 0.32 -1.51 -0.29 -1.29 0.00 0.00 177.43 174.59 1ul7 h ILE 92 N 0.65 1.17 -0.79 2.81 6.09 -0.91 -3.35 117.51 123.19 1ul7 h ILE 92 Ca 0.31 -2.82 0.01 0.00 -1.37 0.00 0.00 64.86 60.98 1ul7 h ILE 92 Cb 0.24 2.75 -0.04 0.00 0.47 0.00 0.00 36.82 40.24 1ul7 h ILE 92 CO -0.21 0.81 0.52 0.00 -3.07 0.00 0.00 178.15 176.20 1ul7 h ALA 93 N 0.54 1.00 0.00 0.18 0.00 -0.51 -1.07 119.26 119.40 1ul7 h ALA 93 Ca -0.23 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1ul7 h ALA 93 Cb 2.00 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1ul7 h ALA 93 CO 0.16 0.42 0.10 1.03 0.00 0.00 0.00 179.25 180.96 1ul7 h SER 94 N 1.07 0.00 0.16 0.00 0.87 -0.93 0.08 113.55 114.80 1ul7 h SER 94 Ca 0.29 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.62 1ul7 h SER 94 Cb -0.12 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 61.87 1ul7 h SER 94 CO -0.06 0.00 -1.01 0.11 -0.53 0.00 0.00 176.83 175.34 1ul7 h LYS 95 N 0.00 0.40 0.03 2.24 1.79 -1.35 -3.21 116.57 116.47 1ul7 h LYS 95 Ca 0.00 -0.64 -0.00 0.00 -2.18 0.00 0.00 60.65 57.82 1ul7 h LYS 95 Cb 0.20 0.23 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1ul7 h LYS 95 CO 0.00 1.30 -0.02 0.82 -1.08 0.00 0.00 179.45 180.47 1ul7 h ILE 96 N -0.17 0.00 -1.68 1.86 1.08 -1.13 -1.36 117.51 116.11 1ul7 h ILE 96 Ca -0.17 -0.41 0.52 0.00 -0.39 0.00 0.00 64.86 64.41 1ul7 h ILE 96 Cb 1.78 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 35.42 1ul7 h ILE 96 CO 0.19 0.00 1.16 0.00 -0.69 0.00 0.00 178.15 178.81 1ul7 h ALA 97 N -1.57 3.36 0.00 1.87 0.00 -1.26 0.19 119.26 121.85 1ul7 h ALA 97 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ul7 h ALA 97 Cb 0.03 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1ul7 h ALA 97 CO 0.01 -1.98 -0.04 -0.97 0.00 0.00 0.00 179.25 176.26 1ul7 h ASN 98 N 0.01 0.00 -1.00 0.00 -1.24 -1.66 -3.37 115.58 108.32 1ul7 h ASN 98 Ca 0.91 0.00 0.30 0.00 0.71 0.00 0.00 56.30 58.22 1ul7 h ASN 98 Cb 3.30 0.00 -0.18 0.00 0.73 0.00 0.00 38.32 42.16 1ul7 h ASN 98 CO -0.23 0.13 0.13 -0.33 -1.29 0.00 0.00 177.43 175.84 1ul7 h GLU 99 N -0.22 0.01 -3.99 6.67 4.39 -0.42 -3.39 114.58 117.62 1ul7 h GLU 99 Ca 0.00 -0.00 -0.38 0.00 0.34 0.00 0.00 59.36 59.32 1ul7 h GLU 99 Cb 0.04 -0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.62 1ul7 h GLU 99 CO 0.00 0.00 1.44 1.28 -1.16 0.00 0.00 179.01 180.57 1ul7 n LEU 100 N -5.45 -0.01 -2.00 1.33 4.77 0.57 -4.68 117.00 111.53 1ul7 n LEU 100 Ca 0.26 0.04 -0.08 0.00 -0.03 0.00 0.00 56.01 56.21 1ul7 n LEU 100 Cb 0.87 -0.68 -0.11 0.00 -2.33 0.00 0.00 43.42 41.17 1ul7 n LEU 100 CO -0.05 -0.67 1.30 0.29 -1.33 0.00 0.00 177.39 176.93 1ul7 n LYS 101 N 6.37 1.48 0.00 3.23 5.02 -1.26 -5.03 118.16 127.97 1ul7 n LYS 101 Ca 0.53 -0.67 0.13 0.00 -2.02 0.00 0.00 58.31 56.28 1ul7 n LYS 101 Cb 0.04 -1.76 0.30 0.00 -0.02 0.00 0.00 35.03 33.59 1ul7 n LYS 101 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16