#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iu8 s LYS 2 N 0.00 3.13 -0.18 2.12 2.47 -1.26 -4.82 119.74 121.20 1iu8 s LYS 2 Ca 0.00 -0.54 0.01 0.00 -1.56 0.00 0.00 55.97 53.88 1iu8 s LYS 2 Cb 0.00 -2.72 0.03 0.00 -1.46 0.00 0.00 37.83 33.68 1iu8 s LYS 2 CO 0.00 0.49 -0.14 0.42 0.16 0.00 0.00 175.35 176.28 1iu8 s ILE 3 N -0.33 1.74 -0.18 5.43 1.01 -0.15 -0.81 121.20 127.91 1iu8 s ILE 3 Ca 0.05 -0.88 -0.17 0.00 0.00 0.00 0.00 60.65 59.64 1iu8 s ILE 3 Cb -0.12 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 1iu8 s ILE 3 CO 0.02 0.36 0.46 -0.22 0.00 0.00 0.00 174.94 175.56 1iu8 s LEU 4 N 1.39 4.18 -0.21 2.97 2.96 0.03 -0.18 118.68 129.81 1iu8 s LEU 4 Ca 0.02 0.64 0.01 0.00 -0.22 0.00 0.00 54.13 54.58 1iu8 s LEU 4 Cb -0.14 -2.63 0.03 0.00 0.50 0.00 0.00 46.19 43.95 1iu8 s LEU 4 CO -0.10 -0.10 -0.16 -0.22 -1.32 0.00 0.00 176.35 174.45 1iu8 s LEU 5 N 1.29 2.58 0.16 -0.68 2.96 -0.09 -1.19 118.68 123.71 1iu8 s LEU 5 Ca 0.22 -0.86 0.06 0.00 -0.22 0.00 0.00 54.13 53.33 1iu8 s LEU 5 Cb -0.15 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 1iu8 s LEU 5 CO 0.09 -0.06 0.04 0.42 -1.32 0.00 0.00 176.35 175.52 1iu8 s THR 6 N 1.25 3.98 0.00 3.68 -4.23 -0.92 -2.08 115.64 117.32 1iu8 s THR 6 Ca 0.01 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 1iu8 s THR 6 Cb -0.15 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.69 1iu8 s THR 6 CO -0.10 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.51 1iu8 n GLY 7 N -0.09 4.27 3.05 3.99 0.00 -0.40 -0.43 105.19 115.59 1iu8 n GLY 7 Ca -0.09 -1.75 -0.09 0.00 0.00 0.00 0.00 46.02 44.09 1iu8 n GLY 7 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1iu8 s PHE 8 N -1.65 0.50 0.88 1.61 0.40 -1.26 -0.56 117.98 117.90 1iu8 s PHE 8 Ca 0.00 -0.72 -0.13 0.00 -0.60 0.00 0.00 56.93 55.48 1iu8 s PHE 8 Cb 0.00 -0.33 0.13 0.00 0.51 0.00 0.00 43.02 43.32 1iu8 s PHE 8 CO 0.00 -0.21 1.20 -1.83 0.70 0.00 0.00 175.22 175.08 1iu8 s GLU 9 N -2.47 1.40 0.63 0.44 -1.05 -0.86 -4.37 118.70 112.42 1iu8 s GLU 9 Ca -0.05 0.01 -0.18 0.00 -0.15 0.00 0.00 54.97 54.61 1iu8 s GLU 9 Cb -0.03 -1.89 -0.02 0.00 -0.44 0.00 0.00 34.13 31.75 1iu8 s GLU 9 CO -0.04 -1.97 1.21 -2.14 0.95 0.00 0.00 175.26 173.28 1iu8 s PRO 10 N -5.60 2.76 0.29 -4.83 0.02 -1.26 -4.77 135.00 121.60 1iu8 s PRO 10 Ca 0.65 1.81 -0.20 0.00 0.02 0.00 0.00 61.00 63.29 1iu8 s PRO 10 Cb -0.10 -1.90 0.05 0.00 0.02 0.00 0.00 34.50 32.57 1iu8 s PRO 10 CO 0.51 -1.37 0.82 -0.59 -0.33 0.00 0.00 177.00 176.04 1iu8 s PHE 11 N -1.69 -0.03 -1.48 6.54 -0.71 -1.23 -4.85 117.98 114.52 1iu8 s PHE 11 Ca 0.77 -0.48 0.00 0.00 -1.04 0.00 0.00 56.93 56.18 1iu8 s PHE 11 Cb -0.30 0.75 0.00 0.00 -1.21 0.00 0.00 43.02 42.25 1iu8 s PHE 11 CO 0.37 -1.26 0.00 0.41 -1.34 0.00 0.00 175.22 173.40 1iu8 n GLY 12 N -0.52 -0.18 0.40 1.99 0.00 -1.26 -2.17 105.19 103.45 1iu8 n GLY 12 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1iu8 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iu8 n GLY 13 N -0.82 1.75 3.79 -0.02 0.00 -1.26 -5.05 105.19 103.58 1iu8 n GLY 13 Ca -0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 1iu8 n GLY 13 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iu8 s ASP 14 N -1.67 6.94 0.04 1.61 1.01 -0.92 -4.98 116.67 118.70 1iu8 s ASP 14 Ca 0.00 1.12 0.28 0.00 0.71 0.00 0.00 52.55 54.66 1iu8 s ASP 14 Cb 0.00 -2.33 1.13 0.00 1.01 0.00 0.00 42.92 42.73 1iu8 s ASP 14 CO 0.00 0.19 1.88 0.47 0.21 0.00 0.00 175.17 177.92 1iu8 n ASP 15 N 2.32 0.16 -4.08 0.27 8.00 -1.26 -3.56 116.55 118.40 1iu8 n ASP 15 Ca -0.09 0.52 -0.10 0.00 0.71 0.00 0.00 54.79 55.82 1iu8 n ASP 15 Cb 0.51 -0.56 -0.11 0.00 -0.02 0.00 0.00 41.12 40.95 1iu8 n ASP 15 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1iu8 s LYS 16 N -3.02 0.57 -0.21 -1.24 2.20 -1.26 -4.81 119.74 111.97 1iu8 s LYS 16 Ca 0.13 -0.99 -0.02 0.00 -0.36 0.00 0.00 55.97 54.73 1iu8 s LYS 16 Cb 0.17 -0.03 0.06 0.00 -1.51 0.00 0.00 37.83 36.52 1iu8 s LYS 16 CO 0.53 -0.04 0.02 1.21 -0.36 0.00 0.00 175.35 176.71 1iu8 s ASN 17 N -2.28 3.15 0.45 1.43 3.84 -1.26 -4.74 114.94 115.53 1iu8 s ASN 17 Ca -0.01 -0.92 0.28 0.00 0.21 0.00 0.00 52.86 52.42 1iu8 s ASN 17 Cb -0.01 -0.73 1.53 0.00 -0.55 0.00 0.00 41.25 41.48 1iu8 s ASN 17 CO -0.04 -0.29 1.85 1.55 -2.79 0.00 0.00 177.10 177.37 1iu8 h PRO 18 N 8.17 0.00 0.00 0.43 0.13 -1.93 -1.77 132.00 137.04 1iu8 h PRO 18 Ca -0.16 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.93 1iu8 h PRO 18 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1iu8 h PRO 18 CO 0.36 0.00 -0.15 1.79 -0.23 0.00 0.00 178.00 179.76 1iu8 h THR 19 N 0.00 0.73 -0.36 1.56 1.35 -1.91 -1.30 112.91 112.98 1iu8 h THR 19 Ca 0.00 -0.62 -0.06 0.00 -0.55 0.00 0.00 66.41 65.18 1iu8 h THR 19 Cb 0.13 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 67.92 1iu8 h THR 19 CO 0.00 0.15 -0.03 0.24 -0.25 0.00 0.00 175.52 175.63 1iu8 h MET 20 N 0.00 0.65 -0.65 4.72 2.86 -1.52 -0.47 114.93 120.53 1iu8 h MET 20 Ca -0.00 -0.22 -0.06 0.00 -2.06 0.00 0.00 59.70 57.36 1iu8 h MET 20 Cb 0.36 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 1iu8 h MET 20 CO 0.02 0.78 0.18 -0.44 1.06 0.00 0.00 176.91 178.51 1iu8 h ASP 21 N 0.45 0.94 -0.07 1.22 5.19 -1.47 -1.50 116.42 121.18 1iu8 h ASP 21 Ca 0.10 -0.18 -0.01 0.00 -0.62 0.00 0.00 57.03 56.32 1iu8 h ASP 21 Cb 0.51 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 39.77 1iu8 h ASP 21 CO 0.02 0.89 -0.01 0.40 -3.12 0.00 0.00 179.24 177.43 1iu8 h ILE 22 N 0.96 1.27 -0.44 0.35 2.04 -1.08 -1.08 117.51 119.54 1iu8 h ILE 22 Ca 0.21 -0.86 0.02 0.00 1.00 0.00 0.00 64.86 65.23 1iu8 h ILE 22 Cb 0.31 1.71 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 1iu8 h ILE 22 CO -0.00 0.24 0.27 0.58 0.00 0.00 0.00 178.15 179.23 1iu8 h VAL 23 N -0.19 1.05 -0.25 1.67 2.07 -0.98 -0.73 116.25 118.89 1iu8 h VAL 23 Ca 0.02 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1iu8 h VAL 23 Cb 0.38 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1iu8 h VAL 23 CO 0.01 0.10 0.13 -0.08 0.02 0.00 0.00 177.57 177.75 1iu8 h GLU 24 N 0.53 0.36 0.01 1.57 4.81 -1.25 -0.84 114.58 119.78 1iu8 h GLU 24 Ca 0.17 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1iu8 h GLU 24 Cb 0.00 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1iu8 h GLU 24 CO -0.07 0.33 -0.01 0.00 -0.73 0.00 0.00 179.01 178.53 1iu8 h ALA 25 N 1.01 -0.02 -0.02 2.92 0.00 -0.86 -2.38 119.26 119.90 1iu8 h ALA 25 Ca 0.09 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1iu8 h ALA 25 Cb 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1iu8 h ALA 25 CO -0.01 -0.51 -0.62 -0.07 0.00 0.00 0.00 179.25 178.03 1iu8 h LEU 26 N -0.03 0.11 -0.87 0.00 3.38 -1.11 -2.65 115.31 114.15 1iu8 h LEU 26 Ca -0.00 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 1iu8 h LEU 26 Cb 0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1iu8 h LEU 26 CO 0.00 0.70 -0.50 0.77 0.09 0.00 0.00 178.44 179.50 1iu8 h SER 27 N 0.07 0.16 0.24 -0.43 4.64 -1.10 0.26 113.55 117.39 1iu8 h SER 27 Ca -0.01 -0.08 -0.18 0.00 -0.47 0.00 0.00 61.79 61.05 1iu8 h SER 27 Cb 1.12 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1iu8 h SER 27 CO 0.09 0.64 -0.71 -0.33 -0.87 0.00 0.00 176.83 175.65 1iu8 h GLU 28 N 0.12 0.41 0.00 4.77 4.39 -1.28 -3.33 114.58 119.66 1iu8 h GLU 28 Ca 0.00 -0.33 -0.22 0.00 0.34 0.00 0.00 59.36 59.16 1iu8 h GLU 28 Cb 0.93 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.61 1iu8 h GLU 28 CO 0.07 0.97 -1.59 2.89 -1.16 0.00 0.00 179.01 180.18 1iu8 n ARG 29 N -3.85 0.63 -3.80 2.33 1.85 -1.01 -4.75 116.66 108.06 1iu8 n ARG 29 Ca -0.04 0.22 -0.36 0.00 -1.00 0.00 0.00 57.85 56.67 1iu8 n ARG 29 Cb 0.70 -1.77 -0.12 0.00 -1.05 0.00 0.00 32.46 30.21 1iu8 n ARG 29 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1iu8 s ILE 30 N -2.81 3.27 0.54 8.89 1.01 0.07 -4.99 121.20 127.18 1iu8 s ILE 30 Ca -0.04 -1.85 0.23 0.00 0.00 0.00 0.00 60.65 58.99 1iu8 s ILE 30 Cb 0.08 -3.14 0.35 0.00 0.01 0.00 0.00 42.46 39.76 1iu8 s ILE 30 CO 0.82 -0.53 2.07 1.55 0.00 0.00 0.00 174.94 178.84 1iu8 h PRO 31 N 8.05 0.00 0.00 2.79 0.13 -1.85 -1.26 132.00 139.86 1iu8 h PRO 31 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1iu8 h PRO 31 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1iu8 h PRO 31 CO 0.66 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.58 1iu8 n GLU 32 N -4.29 0.81 -3.53 0.86 0.00 -1.26 -4.77 120.64 108.47 1iu8 n GLU 32 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 57.16 56.83 1iu8 n GLU 32 Cb 0.38 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 30.26 1iu8 n GLU 32 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1iu8 s VAL 33 N -2.17 5.26 -0.18 3.84 1.01 -0.48 -0.98 120.40 126.69 1iu8 s VAL 33 Ca 0.41 0.63 -0.02 0.00 0.00 0.00 0.00 61.98 63.00 1iu8 s VAL 33 Cb 0.21 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 1iu8 s VAL 33 CO 0.39 0.43 -0.09 -0.69 0.00 0.00 0.00 175.10 175.14 1iu8 s VAL 34 N 0.13 3.11 -0.04 2.92 1.01 0.74 -4.79 120.40 123.49 1iu8 s VAL 34 Ca 0.19 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 1iu8 s VAL 34 Cb -0.14 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1iu8 s VAL 34 CO 0.06 0.47 0.08 -0.83 0.00 0.00 0.00 175.10 174.89 1iu8 s GLY 35 N 1.04 2.01 -0.11 4.51 0.00 -1.26 -0.92 107.32 112.59 1iu8 s GLY 35 Ca -0.00 -0.82 -0.05 0.00 0.00 0.00 0.00 44.72 43.84 1iu8 s GLY 35 CO -0.01 -0.66 0.26 1.85 0.00 0.00 0.00 173.10 174.54 1iu8 s GLU 36 N -1.49 0.21 -0.25 2.90 2.56 -0.88 -4.97 118.70 116.78 1iu8 s GLU 36 Ca 0.20 0.58 -0.10 0.00 0.00 0.00 0.00 54.97 55.65 1iu8 s GLU 36 Cb -0.12 -0.10 -0.04 0.00 2.00 0.00 0.00 34.13 35.86 1iu8 s GLU 36 CO 0.11 -0.18 0.14 0.42 -0.56 0.00 0.00 175.26 175.19 1iu8 s ILE 37 N 1.41 5.06 0.16 -3.70 -1.09 -1.26 -1.27 121.20 120.51 1iu8 s ILE 37 Ca -0.08 0.08 -0.10 0.00 -2.23 0.00 0.00 60.65 58.31 1iu8 s ILE 37 Cb -0.10 -3.37 -0.07 0.00 -1.58 0.00 0.00 42.46 37.34 1iu8 s ILE 37 CO -0.09 0.33 0.50 -0.76 -1.23 0.00 0.00 174.94 173.68 1iu8 s LEU 38 N 1.33 4.27 0.48 2.97 1.43 0.27 -4.91 118.68 124.52 1iu8 s LEU 38 Ca 0.06 0.90 -0.19 0.00 -1.03 0.00 0.00 54.13 53.87 1iu8 s LEU 38 Cb -0.15 -3.37 -0.09 0.00 0.03 0.00 0.00 46.19 42.62 1iu8 s LEU 38 CO 0.06 0.05 0.98 -2.16 0.23 0.00 0.00 176.35 175.51 1iu8 s PRO 39 N -2.36 4.02 -1.29 1.29 0.04 -1.26 -2.02 135.00 133.42 1iu8 s PRO 39 Ca 0.41 1.09 -0.13 0.00 0.04 0.00 0.00 61.00 62.41 1iu8 s PRO 39 Cb -0.13 -2.14 0.14 0.00 0.04 0.00 0.00 34.50 32.40 1iu8 s PRO 39 CO 0.20 -0.22 1.77 0.28 0.04 0.00 0.00 177.00 179.08 1iu8 n VAL 40 N -1.12 4.14 -3.68 -0.36 0.31 -1.26 -4.39 118.33 111.96 1iu8 n VAL 40 Ca 0.07 -4.27 -0.11 0.00 -0.01 0.00 0.00 64.34 60.03 1iu8 n VAL 40 Cb 0.54 -2.43 -0.11 0.00 -0.91 0.00 0.00 33.84 30.93 1iu8 n VAL 40 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1iu8 s SER 41 N 2.27 -0.11 0.14 4.52 0.15 -1.26 -0.53 113.70 118.88 1iu8 s SER 41 Ca 0.44 0.78 -0.18 0.00 0.70 0.00 0.00 55.95 57.69 1iu8 s SER 41 Cb 0.06 0.90 -0.01 0.00 -1.71 0.00 0.00 66.02 65.26 1iu8 s SER 41 CO -0.00 -0.22 1.77 -0.26 1.20 0.00 0.00 173.24 175.73 1iu8 h PHE 42 N 7.87 0.26 0.25 3.44 -1.00 -1.96 0.32 116.94 126.13 1iu8 h PHE 42 Ca -0.23 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.55 1iu8 h PHE 42 Cb 1.13 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 40.62 1iu8 h PHE 42 CO 0.31 0.14 -0.12 0.87 -1.61 0.00 0.00 178.31 177.91 1iu8 h LYS 43 N 0.30 -0.33 -0.06 1.51 6.56 -1.97 -2.28 116.57 120.30 1iu8 h LYS 43 Ca 0.12 0.02 -0.15 0.00 -1.06 0.00 0.00 60.65 59.59 1iu8 h LYS 43 Cb 0.04 0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 31.76 1iu8 h LYS 43 CO -0.08 -0.11 -0.61 0.00 -2.06 0.00 0.00 179.45 176.58 1iu8 h ARG 44 N -0.49 0.21 -0.41 3.15 3.08 -1.92 -3.00 114.38 115.00 1iu8 h ARG 44 Ca -0.03 -0.15 -0.15 0.00 0.07 0.00 0.00 59.98 59.72 1iu8 h ARG 44 Cb 0.37 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1iu8 h ARG 44 CO 0.06 0.76 -0.31 0.00 -1.07 0.00 0.00 179.97 179.40 1iu8 h ALA 45 N 1.21 0.60 -0.29 0.04 0.00 -0.38 -1.31 119.26 119.12 1iu8 h ALA 45 Ca -0.01 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.48 1iu8 h ALA 45 Cb 1.12 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1iu8 h ALA 45 CO 0.09 0.65 0.17 -0.09 0.00 0.00 0.00 179.25 180.08 1iu8 h ARG 46 N 0.77 0.35 -0.01 0.00 2.43 -1.38 0.13 114.38 116.68 1iu8 h ARG 46 Ca 0.08 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1iu8 h ARG 46 Cb 0.90 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.37 1iu8 h ARG 46 CO 0.08 0.23 0.00 0.93 -1.51 0.00 0.00 179.97 179.71 1iu8 h GLU 47 N 0.36 0.01 -0.36 0.20 5.08 -1.47 -2.15 114.58 116.25 1iu8 h GLU 47 Ca 0.11 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1iu8 h GLU 47 Cb -0.01 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1iu8 h GLU 47 CO -0.05 0.16 0.16 0.87 -1.00 0.00 0.00 179.01 179.16 1iu8 h LYS 48 N -0.14 0.52 -0.28 2.33 1.79 -1.06 -1.73 116.57 118.00 1iu8 h LYS 48 Ca 0.00 -0.08 -0.02 0.00 -2.18 0.00 0.00 60.65 58.37 1iu8 h LYS 48 Cb 0.15 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 1iu8 h LYS 48 CO -0.00 0.48 0.11 1.25 -1.08 0.00 0.00 179.45 180.21 1iu8 h LEU 49 N 0.43 0.39 -1.25 2.94 5.85 -0.75 -1.72 115.31 121.20 1iu8 h LEU 49 Ca 0.12 -0.17 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 1iu8 h LEU 49 Cb 0.14 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1iu8 h LEU 49 CO -0.01 0.45 -0.27 -0.07 -0.34 0.00 0.00 178.44 178.19 1iu8 h LEU 50 N 0.30 0.16 0.02 2.25 3.38 -1.36 -1.87 115.31 118.19 1iu8 h LEU 50 Ca 0.09 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1iu8 h LEU 50 Cb 0.18 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1iu8 h LEU 50 CO -0.01 0.44 -0.01 0.50 0.09 0.00 0.00 178.44 179.45 1iu8 h LYS 51 N 0.15 -0.02 -0.89 1.13 3.64 -1.09 -2.30 116.57 117.18 1iu8 h LYS 51 Ca 0.02 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1iu8 h LYS 51 Cb 0.56 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.35 1iu8 h LYS 51 CO 0.04 0.42 0.47 0.28 -2.27 0.00 0.00 179.45 178.39 1iu8 h VAL 52 N -0.47 1.26 -0.73 2.00 2.07 -1.23 0.70 116.25 119.84 1iu8 h VAL 52 Ca -0.00 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1iu8 h VAL 52 Cb 0.45 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 1iu8 h VAL 52 CO 0.00 0.30 0.47 -0.07 0.02 0.00 0.00 177.57 178.29 1iu8 h LEU 53 N 1.25 0.86 -0.35 2.57 3.38 -1.35 0.12 115.31 121.78 1iu8 h LEU 53 Ca 0.31 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 58.11 1iu8 h LEU 53 Cb 0.05 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1iu8 h LEU 53 CO -0.05 0.65 -0.29 -0.78 0.09 0.00 0.00 178.44 178.06 1iu8 h ASP 54 N 1.00 0.86 -0.25 -0.43 3.58 -0.81 0.11 116.42 120.48 1iu8 h ASP 54 Ca 0.27 -0.45 -0.17 0.00 0.42 0.00 0.00 57.03 57.09 1iu8 h ASP 54 Cb -0.08 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 40.73 1iu8 h ASP 54 CO -0.05 1.14 -0.52 0.44 -2.88 0.00 0.00 179.24 177.36 1iu8 h ASP 55 N 0.60 0.90 0.45 2.28 3.32 -0.62 -3.33 116.42 120.03 1iu8 h ASP 55 Ca 0.06 -0.55 -0.30 0.00 0.02 0.00 0.00 57.03 56.26 1iu8 h ASP 55 Cb 0.87 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 1iu8 h ASP 55 CO 0.08 1.28 -1.59 0.58 -1.72 0.00 0.00 179.24 177.87 1iu8 h VAL 56 N 0.56 1.07 -6.17 -1.35 2.07 -0.83 -3.49 116.25 108.11 1iu8 h VAL 56 Ca 0.01 -2.76 -0.43 0.00 0.82 0.00 0.00 66.70 64.34 1iu8 h VAL 56 Cb 1.13 2.67 0.05 0.00 -1.52 0.00 0.00 31.29 33.63 1iu8 h VAL 56 CO 0.12 0.78 -0.88 0.54 0.02 0.00 0.00 177.57 178.14 1iu8 n ARG 57 N -3.38 -3.15 -1.53 1.57 5.12 0.39 -4.91 116.66 110.78 1iu8 n ARG 57 Ca -0.17 0.54 -0.35 0.00 -1.93 0.00 0.00 57.85 55.94 1iu8 n ARG 57 Cb 1.04 -4.75 0.08 0.00 -1.16 0.00 0.00 32.46 27.68 1iu8 n ARG 57 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1iu8 s PRO 58 N -5.97 2.28 0.03 5.56 0.04 -1.26 -4.93 135.00 130.73 1iu8 s PRO 58 Ca 0.19 1.79 0.02 0.00 0.04 0.00 0.00 61.00 63.04 1iu8 s PRO 58 Cb -0.06 -1.85 -0.25 0.00 0.04 0.00 0.00 34.50 32.38 1iu8 s PRO 58 CO 0.84 -1.74 0.94 -0.44 0.04 0.00 0.00 177.00 176.64 1iu8 h ASP 59 N -0.09 0.22 -3.95 6.66 3.32 -1.32 -3.34 116.42 117.92 1iu8 h ASP 59 Ca -0.48 -0.30 -0.33 0.00 0.02 0.00 0.00 57.03 55.93 1iu8 h ASP 59 Cb 1.30 -0.07 -0.28 0.00 0.22 0.00 0.00 39.33 40.49 1iu8 h ASP 59 CO 0.51 1.25 -0.76 -0.63 -1.72 0.00 0.00 179.24 177.89 1iu8 s ILE 60 N -2.64 0.46 -0.06 0.35 1.01 -1.08 -0.35 121.20 118.90 1iu8 s ILE 60 Ca -0.06 -0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.34 1iu8 s ILE 60 Cb 0.08 -0.39 0.02 0.00 0.01 0.00 0.00 42.46 42.17 1iu8 s ILE 60 CO 0.84 0.12 -0.08 -0.89 0.00 0.00 0.00 174.94 174.93 1iu8 s THR 61 N -0.17 0.82 -0.18 2.92 2.01 -1.00 -0.79 115.64 119.26 1iu8 s THR 61 Ca 0.02 -0.28 0.01 0.00 0.31 0.00 0.00 61.69 61.74 1iu8 s THR 61 Cb -0.02 -0.80 0.04 0.00 0.01 0.00 0.00 72.50 71.72 1iu8 s THR 61 CO -0.00 0.29 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.49 1iu8 s ILE 62 N 0.89 1.54 0.03 1.82 1.01 -0.33 -2.26 121.20 123.91 1iu8 s ILE 62 Ca -0.11 -0.87 -0.20 0.00 0.00 0.00 0.00 60.65 59.47 1iu8 s ILE 62 Cb -0.15 -1.60 -0.06 0.00 0.01 0.00 0.00 42.46 40.66 1iu8 s ILE 62 CO 0.01 0.22 0.57 0.20 0.00 0.00 0.00 174.94 175.94 1iu8 s ASN 63 N 1.45 7.01 0.10 3.58 -0.87 -0.36 -2.17 114.94 123.68 1iu8 s ASN 63 Ca 0.00 1.20 0.08 0.00 -1.57 0.00 0.00 52.86 52.57 1iu8 s ASN 63 Cb -0.15 -2.35 -0.04 0.00 -0.02 0.00 0.00 41.25 38.68 1iu8 s ASN 63 CO -0.09 0.20 -0.14 -0.76 -2.57 0.00 0.00 177.10 173.75 1iu8 s LEU 64 N -0.71 2.88 0.11 0.60 1.43 0.43 -0.70 118.68 122.72 1iu8 s LEU 64 Ca 0.29 -0.45 -0.14 0.00 -1.03 0.00 0.00 54.13 52.80 1iu8 s LEU 64 Cb -0.19 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.36 1iu8 s LEU 64 CO 0.18 0.19 0.34 -0.83 0.23 0.00 0.00 176.35 176.45 1iu8 s GLY 65 N -2.11 -0.17 -0.12 -3.19 0.00 -0.68 -4.30 107.32 96.75 1iu8 s GLY 65 Ca 0.19 -0.18 -0.12 0.00 0.00 0.00 0.00 44.72 44.61 1iu8 s GLY 65 CO 0.12 -0.42 0.27 -2.27 0.00 0.00 0.00 173.10 170.79 1iu8 s LEU 66 N -2.75 4.32 -0.63 0.66 2.96 -1.26 -1.09 118.68 120.89 1iu8 s LEU 66 Ca 0.03 0.57 0.04 0.00 -0.22 0.00 0.00 54.13 54.54 1iu8 s LEU 66 Cb 0.02 -2.33 0.15 0.00 0.50 0.00 0.00 46.19 44.54 1iu8 s LEU 66 CO -0.11 0.22 0.41 0.00 -1.32 0.00 0.00 176.35 175.55 1iu8 s ALA 67 N -0.19 3.62 -0.09 5.97 0.00 -0.24 -4.86 121.76 125.97 1iu8 s ALA 67 Ca 0.17 -3.57 -0.37 0.00 0.00 0.00 0.00 51.96 48.19 1iu8 s ALA 67 Cb -0.13 -2.24 -0.14 0.00 0.00 0.00 0.00 23.12 20.60 1iu8 s ALA 67 CO 0.05 -2.07 1.69 -2.30 0.00 0.00 0.00 175.76 173.13 1iu8 n PRO 68 N 2.57 1.59 0.00 0.00 -0.02 -1.26 -1.77 135.00 136.11 1iu8 n PRO 68 Ca 0.13 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1iu8 n PRO 68 Cb 0.34 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1iu8 n PRO 68 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iu8 n GLY 69 N 3.84 2.90 3.80 -1.23 0.00 -1.26 -5.03 105.19 108.21 1iu8 n GLY 69 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 1iu8 n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iu8 s ARG 70 N -0.99 3.84 -0.07 1.61 0.52 -0.73 -4.63 118.95 118.50 1iu8 s ARG 70 Ca 0.00 1.36 0.18 0.00 -0.52 0.00 0.00 55.73 56.75 1iu8 s ARG 70 Cb 0.00 -2.13 -0.23 0.00 0.52 0.00 0.00 34.95 33.12 1iu8 s ARG 70 CO 0.00 -0.39 0.45 0.25 0.02 0.00 0.00 175.30 175.63 1iu8 n THR 71 N -0.89 1.11 -4.53 0.02 -2.24 -1.26 -4.55 114.28 101.94 1iu8 n THR 71 Ca 0.09 -0.74 -0.25 0.00 -2.27 0.00 0.00 64.05 60.88 1iu8 n THR 71 Cb 0.52 -0.54 -0.11 0.00 -2.10 0.00 0.00 70.33 68.11 1iu8 n THR 71 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1iu8 s HIS 72 N -2.82 2.33 0.19 4.78 3.76 -1.26 -4.88 115.29 117.38 1iu8 s HIS 72 Ca -0.07 -0.56 -0.30 0.00 -0.15 0.00 0.00 55.06 53.98 1iu8 s HIS 72 Cb 0.08 -1.37 -0.08 0.00 1.11 0.00 0.00 32.58 32.32 1iu8 s HIS 72 CO 0.84 0.51 1.15 0.42 -0.85 0.00 0.00 174.74 176.81 1iu8 s ILE 73 N -2.70 3.66 -0.21 0.60 1.01 -0.18 -4.43 121.20 118.95 1iu8 s ILE 73 Ca 0.32 1.44 -0.04 0.00 0.00 0.00 0.00 60.65 62.37 1iu8 s ILE 73 Cb 0.04 -3.92 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 1iu8 s ILE 73 CO 0.16 0.25 -0.02 -0.44 0.00 0.00 0.00 174.94 174.88 1iu8 s SER 74 N -0.05 4.55 -0.44 3.58 0.01 -0.01 -1.20 113.70 120.14 1iu8 s SER 74 Ca 0.51 -0.29 -0.14 0.00 1.31 0.00 0.00 55.95 57.33 1iu8 s SER 74 Cb -0.31 -1.78 0.06 0.00 0.21 0.00 0.00 66.02 64.20 1iu8 s SER 74 CO 0.37 0.03 0.35 -0.69 0.41 0.00 0.00 173.24 173.70 1iu8 s VAL 75 N 1.19 5.10 0.28 3.43 1.01 -0.18 -0.74 120.40 130.48 1iu8 s VAL 75 Ca 0.03 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 60.74 1iu8 s VAL 75 Cb -0.14 -3.99 -0.10 0.00 0.00 0.00 0.00 36.38 32.15 1iu8 s VAL 75 CO 0.00 -0.48 1.20 -1.61 0.00 0.00 0.00 175.10 174.21 1iu8 s GLU 76 N 1.63 4.50 -0.01 2.72 0.41 -0.47 -1.59 118.70 125.89 1iu8 s GLU 76 Ca 0.04 1.97 0.09 0.00 -0.41 0.00 0.00 54.97 56.67 1iu8 s GLU 76 Cb -0.22 -3.16 -0.14 0.00 -1.78 0.00 0.00 34.13 28.83 1iu8 s GLU 76 CO 0.07 -0.00 0.22 0.54 -0.49 0.00 0.00 175.26 175.60 1iu8 n ARG 77 N 1.36 0.61 -4.35 1.61 1.74 -0.21 -4.41 116.66 113.02 1iu8 n ARG 77 Ca 0.01 -0.08 -0.25 0.00 -0.77 0.00 0.00 57.85 56.76 1iu8 n ARG 77 Cb 0.44 -1.19 -0.17 0.00 -1.02 0.00 0.00 32.46 30.52 1iu8 n ARG 77 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1iu8 s VAL 78 N -2.57 1.09 -0.16 1.55 1.01 -1.26 -1.06 120.40 119.00 1iu8 s VAL 78 Ca -0.03 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 1iu8 s VAL 78 Cb 0.06 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 1iu8 s VAL 78 CO 0.38 0.36 -0.08 0.00 0.00 0.00 0.00 175.10 175.76 1iu8 s ALA 79 N 1.01 2.79 0.01 5.51 0.00 -0.50 -4.11 121.76 126.48 1iu8 s ALA 79 Ca -0.08 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 50.98 1iu8 s ALA 79 Cb -0.15 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 1iu8 s ALA 79 CO -0.00 0.10 0.01 0.14 0.00 0.00 0.00 175.76 176.00 1iu8 s VAL 80 N 0.59 4.16 -1.50 0.00 -7.23 -1.26 -1.10 120.40 114.06 1iu8 s VAL 80 Ca -0.05 -0.66 -0.12 0.00 -1.81 0.00 0.00 61.98 59.34 1iu8 s VAL 80 Cb -0.15 -2.88 -0.04 0.00 0.56 0.00 0.00 36.38 33.87 1iu8 s VAL 80 CO 0.03 0.33 2.58 -3.20 -0.31 0.00 0.00 175.10 174.53 1iu8 n ASN 81 N 1.23 6.33 -3.72 4.85 5.15 0.81 -4.83 115.26 125.08 1iu8 n ASN 81 Ca -0.14 -2.68 -0.13 0.00 -0.60 0.00 0.00 54.58 51.04 1iu8 n ASN 81 Cb 0.52 -1.57 -0.10 0.00 -0.53 0.00 0.00 39.78 38.11 1iu8 n ASN 81 CO 0.00 0.00 0.00 -0.32 1.40 0.00 0.00 177.26 178.34 1iu8 s MET 82 N 2.76 0.49 -0.21 1.20 1.75 -1.26 -4.15 119.30 119.88 1iu8 s MET 82 Ca 0.59 0.65 -0.01 0.00 -1.25 0.00 0.00 55.69 55.66 1iu8 s MET 82 Cb 0.16 0.20 0.01 0.00 2.84 0.00 0.00 34.83 38.04 1iu8 s MET 82 CO -0.07 -0.08 -0.11 0.42 -0.65 0.00 0.00 175.02 174.54 1iu8 s ILE 83 N 0.46 2.73 -0.41 10.11 1.01 0.33 -4.78 121.20 130.64 1iu8 s ILE 83 Ca -0.02 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 59.84 1iu8 s ILE 83 Cb -0.04 -2.26 0.17 0.00 0.01 0.00 0.00 42.46 40.33 1iu8 s ILE 83 CO -0.02 0.39 0.39 -0.62 0.00 0.00 0.00 174.94 175.08 1iu8 s ASP 84 N 1.36 1.12 -0.39 3.58 3.68 -0.52 -0.73 116.67 124.76 1iu8 s ASP 84 Ca 0.04 -2.43 -0.29 0.00 2.13 0.00 0.00 52.55 52.00 1iu8 s ASP 84 Cb -0.15 0.15 0.01 0.00 -1.45 0.00 0.00 42.92 41.48 1iu8 s ASP 84 CO -0.07 -0.19 1.37 0.00 0.13 0.00 0.00 175.17 176.41 1iu8 s ALA 85 N 0.61 3.12 -0.98 3.66 0.00 -0.35 -4.49 121.76 123.33 1iu8 s ALA 85 Ca 0.27 -0.13 0.25 0.00 0.00 0.00 0.00 51.96 52.36 1iu8 s ALA 85 Cb -0.05 -3.90 1.07 0.00 0.00 0.00 0.00 23.12 20.24 1iu8 s ALA 85 CO -0.11 -2.25 1.81 0.54 0.00 0.00 0.00 175.76 175.75 1iu8 n ARG 86 N 7.89 0.01 -3.84 0.00 1.74 -1.26 -4.75 116.66 116.45 1iu8 n ARG 86 Ca 0.16 0.07 -0.10 0.00 -0.77 0.00 0.00 57.85 57.22 1iu8 n ARG 86 Cb 0.48 -1.52 -0.08 0.00 -1.02 0.00 0.00 32.46 30.32 1iu8 n ARG 86 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1iu8 s ILE 87 N -3.01 0.12 0.79 0.55 -4.36 -1.26 -5.16 121.20 108.87 1iu8 s ILE 87 Ca 0.12 -1.02 -0.11 0.00 -0.26 0.00 0.00 60.65 59.38 1iu8 s ILE 87 Cb 0.16 -1.14 0.06 0.00 1.25 0.00 0.00 42.46 42.80 1iu8 s ILE 87 CO 0.47 -0.56 1.09 -2.84 0.24 0.00 0.00 174.94 173.33 1iu8 s PRO 88 N -3.26 2.15 0.75 0.37 0.02 -1.26 -4.81 135.00 128.96 1iu8 s PRO 88 Ca 0.00 0.91 -0.05 0.00 0.02 0.00 0.00 61.00 61.88 1iu8 s PRO 88 Cb 0.02 -1.90 0.16 0.00 0.02 0.00 0.00 34.50 32.80 1iu8 s PRO 88 CO -0.08 -1.65 1.03 -0.40 -0.33 0.00 0.00 177.00 175.58 1iu8 n ASP 89 N -3.49 0.88 0.00 2.53 3.85 0.55 -4.88 116.55 115.98 1iu8 n ASP 89 Ca 0.08 -1.86 0.03 0.00 -0.71 0.00 0.00 54.79 52.33 1iu8 n ASP 89 Cb 0.54 -0.71 0.14 0.00 -1.35 0.00 0.00 41.12 39.74 1iu8 n ASP 89 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1iu8 n ASN 90 N -3.20 0.00 -0.94 -1.12 3.02 0.31 -1.04 115.26 112.29 1iu8 n ASN 90 Ca 0.15 0.44 0.12 0.00 -0.03 0.00 0.00 54.58 55.27 1iu8 n ASN 90 Cb 0.55 -0.46 0.11 0.00 -0.61 0.00 0.00 39.78 39.36 1iu8 n ASN 90 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1iu8 n ASP 91 N -1.46 2.95 0.00 6.41 8.00 -1.26 -4.95 116.55 126.24 1iu8 n ASP 91 Ca 0.02 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.54 1iu8 n ASP 91 Cb 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 1iu8 n ASP 91 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iu8 n GLY 92 N 1.35 1.06 3.78 0.44 0.00 -0.20 -5.05 105.19 106.56 1iu8 n GLY 92 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1iu8 n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iu8 s GLU 93 N -0.59 4.43 -0.39 1.61 0.41 -1.26 -4.66 118.70 118.25 1iu8 s GLU 93 Ca 0.00 1.50 0.10 0.00 -0.41 0.00 0.00 54.97 56.16 1iu8 s GLU 93 Cb 0.00 -2.79 0.30 0.00 -1.78 0.00 0.00 34.13 29.86 1iu8 s GLU 93 CO 0.00 0.10 0.66 0.94 -0.49 0.00 0.00 175.26 176.47 1iu8 n GLN 94 N 0.46 0.84 -1.96 1.61 7.27 -1.26 -0.33 117.38 124.01 1iu8 n GLN 94 Ca 0.02 -3.16 -0.38 0.00 0.07 0.00 0.00 57.00 53.55 1iu8 n GLN 94 Cb 0.49 -1.44 0.02 0.00 2.41 0.00 0.00 30.24 31.72 1iu8 n GLN 94 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1iu8 s PRO 95 N -1.59 3.48 -0.02 3.69 0.04 -1.26 -4.74 135.00 134.62 1iu8 s PRO 95 Ca 0.37 2.11 -0.02 0.00 0.04 0.00 0.00 61.00 63.49 1iu8 s PRO 95 Cb 0.26 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1iu8 s PRO 95 CO -0.10 -0.87 0.06 0.15 0.04 0.00 0.00 177.00 176.27 1iu8 s LYS 96 N -2.71 0.13 -1.34 4.56 1.02 -1.26 -1.21 119.74 118.94 1iu8 s LYS 96 Ca 0.66 -0.03 -0.03 0.00 0.02 0.00 0.00 55.97 56.59 1iu8 s LYS 96 Cb -0.37 0.06 0.02 0.00 -0.52 0.00 0.00 37.83 37.01 1iu8 s LYS 96 CO 0.45 -0.02 0.84 -0.25 -0.92 0.00 0.00 175.35 175.45 1iu8 n ASP 97 N 2.77 -2.38 -4.21 2.83 8.00 0.09 -4.95 116.55 118.70 1iu8 n ASP 97 Ca -0.14 -0.76 -0.27 0.00 0.71 0.00 0.00 54.79 54.33 1iu8 n ASP 97 Cb 0.59 -4.27 -0.16 0.00 -0.02 0.00 0.00 41.12 37.26 1iu8 n ASP 97 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1iu8 s GLU 98 N -6.03 1.65 0.59 -1.24 0.41 -1.15 -4.97 118.70 107.95 1iu8 s GLU 98 Ca 0.17 -0.72 -0.14 0.00 -0.41 0.00 0.00 54.97 53.87 1iu8 s GLU 98 Cb -0.08 -1.59 -0.04 0.00 -1.78 0.00 0.00 34.13 30.64 1iu8 s GLU 98 CO 0.80 0.43 1.03 -1.25 -0.49 0.00 0.00 175.26 175.78 1iu8 s PRO 99 N -0.46 3.51 0.01 0.39 0.04 -1.26 -0.51 135.00 136.72 1iu8 s PRO 99 Ca 0.07 1.01 -0.13 0.00 0.04 0.00 0.00 61.00 61.99 1iu8 s PRO 99 Cb -0.08 -2.07 -0.34 0.00 0.04 0.00 0.00 34.50 32.06 1iu8 s PRO 99 CO -0.01 -0.64 0.92 0.82 0.04 0.00 0.00 177.00 178.14 1iu8 h ILE 100 N 0.29 1.21 -3.25 0.56 2.04 -1.88 -3.44 117.51 113.04 1iu8 h ILE 100 Ca -0.46 -2.68 -0.48 0.00 1.00 0.00 0.00 64.86 62.24 1iu8 h ILE 100 Cb 1.20 2.96 -0.39 0.00 -0.74 0.00 0.00 36.82 39.85 1iu8 h ILE 100 CO 0.59 0.83 -0.76 -0.69 0.00 0.00 0.00 178.15 178.12 1iu8 s VAL 101 N -2.60 0.43 0.09 1.67 1.01 -1.26 -5.09 120.40 114.64 1iu8 s VAL 101 Ca -0.10 -0.23 -0.31 0.00 0.00 0.00 0.00 61.98 61.33 1iu8 s VAL 101 Cb 0.05 -0.78 -0.11 0.00 0.00 0.00 0.00 36.38 35.54 1iu8 s VAL 101 CO 0.92 0.00 1.86 -0.62 0.00 0.00 0.00 175.10 177.26 1iu8 n GLU 102 N 5.11 2.72 -0.57 2.72 -0.58 -1.26 -1.11 120.64 127.67 1iu8 n GLU 102 Ca -0.08 0.99 0.00 0.00 -0.42 0.00 0.00 57.16 57.65 1iu8 n GLU 102 Cb 0.49 -2.89 0.00 0.00 -0.57 0.00 0.00 31.44 28.47 1iu8 n GLU 102 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1iu8 n GLY 103 N 4.28 1.36 3.81 0.62 0.00 -1.26 -5.03 105.19 108.96 1iu8 n GLY 103 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1iu8 n GLY 103 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iu8 s GLY 104 N -1.87 1.64 0.72 -0.02 0.00 -0.26 -5.00 107.32 102.53 1iu8 s GLY 104 Ca 0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 44.72 44.45 1iu8 s GLY 104 CO 0.00 0.27 1.21 2.56 0.00 0.00 0.00 173.10 177.13 1iu8 s PRO 105 N -5.13 2.23 0.43 2.90 0.04 -1.26 -4.88 135.00 129.33 1iu8 s PRO 105 Ca 0.60 1.76 0.14 0.00 0.04 0.00 0.00 61.00 63.54 1iu8 s PRO 105 Cb -0.14 -1.84 1.02 0.00 0.04 0.00 0.00 34.50 33.58 1iu8 s PRO 105 CO 0.54 -1.77 1.96 0.00 0.04 0.00 0.00 177.00 177.77 1iu8 h ALA 106 N -0.18 2.03 -2.87 8.56 0.00 -1.94 -3.39 119.26 121.47 1iu8 h ALA 106 Ca -0.48 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1iu8 h ALA 106 Cb 1.30 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.90 1iu8 h ALA 106 CO 0.50 -0.19 0.03 0.00 0.00 0.00 0.00 179.25 179.59 1iu8 s ALA 107 N -5.41 -0.92 -0.03 0.00 0.00 -1.26 -0.13 121.76 114.00 1iu8 s ALA 107 Ca -0.08 -0.23 0.03 0.00 0.00 0.00 0.00 51.96 51.68 1iu8 s ALA 107 Cb 0.20 0.85 0.00 0.00 0.00 0.00 0.00 23.12 24.18 1iu8 s ALA 107 CO 0.76 -0.80 -0.10 0.71 0.00 0.00 0.00 175.76 176.32 1iu8 s TYR 108 N -3.88 1.08 0.19 0.00 1.51 -0.26 -4.98 117.35 111.02 1iu8 s TYR 108 Ca 0.09 -0.29 -0.18 0.00 -1.01 0.00 0.00 57.07 55.68 1iu8 s TYR 108 Cb -0.01 -0.77 -0.08 0.00 -0.11 0.00 0.00 41.96 40.99 1iu8 s TYR 108 CO -0.03 -0.12 0.67 -0.06 -1.11 0.00 0.00 175.55 174.90 1iu8 s PHE 109 N 0.23 3.65 0.47 2.71 2.99 -1.26 -1.41 117.98 125.36 1iu8 s PHE 109 Ca -0.04 1.29 -0.24 0.00 0.00 0.00 0.00 56.93 57.94 1iu8 s PHE 109 Cb -0.10 -2.55 -0.07 0.00 0.00 0.00 0.00 43.02 40.31 1iu8 s PHE 109 CO 0.01 0.37 1.36 0.00 -0.00 0.00 0.00 175.22 176.96 1iu8 s ALA 110 N -1.49 3.09 -1.23 5.36 0.00 -0.22 -4.93 121.76 122.33 1iu8 s ALA 110 Ca 0.41 1.33 0.17 0.00 0.00 0.00 0.00 51.96 53.87 1iu8 s ALA 110 Cb -0.16 -3.54 -0.08 0.00 0.00 0.00 0.00 23.12 19.33 1iu8 s ALA 110 CO 0.20 -1.13 0.81 0.25 0.00 0.00 0.00 175.76 175.90 1iu8 n THR 111 N -0.42 0.00 -1.63 0.00 -2.24 0.18 -4.91 114.28 105.26 1iu8 n THR 111 Ca 0.07 -0.22 -0.31 0.00 -2.27 0.00 0.00 64.05 61.32 1iu8 n THR 111 Cb 0.44 1.11 0.06 0.00 -2.10 0.00 0.00 70.33 69.84 1iu8 n THR 111 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1iu8 s ILE 112 N -2.27 3.81 -1.14 2.28 -4.36 -0.93 -4.64 121.20 113.96 1iu8 s ILE 112 Ca 0.11 0.59 -0.21 0.00 -0.26 0.00 0.00 60.65 60.88 1iu8 s ILE 112 Cb 0.13 -3.38 -0.06 0.00 1.25 0.00 0.00 42.46 40.40 1iu8 s ILE 112 CO 0.55 -0.77 1.91 -0.81 0.24 0.00 0.00 174.94 176.06 1iu8 n PRO 113 N -3.16 2.02 -0.09 0.37 -0.04 -1.26 -4.82 135.00 128.02 1iu8 n PRO 113 Ca 0.07 -2.51 -0.06 0.00 -0.04 0.00 0.00 63.50 60.96 1iu8 n PRO 113 Cb 0.55 -3.46 0.01 0.00 -0.04 0.00 0.00 33.50 30.55 1iu8 n PRO 113 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1iu8 h THR 114 N 5.47 0.72 -0.50 0.52 1.35 -1.91 -0.49 112.91 118.07 1iu8 h THR 114 Ca 0.34 -0.02 -0.09 0.00 -0.55 0.00 0.00 66.41 66.09 1iu8 h THR 114 Cb 0.84 0.66 -0.02 0.00 -1.73 0.00 0.00 68.15 67.89 1iu8 h THR 114 CO 1.50 0.01 -0.03 -0.09 -0.25 0.00 0.00 175.52 176.66 1iu8 h ARG 115 N 0.06 0.91 -0.93 4.72 2.43 -1.96 -1.53 114.38 118.08 1iu8 h ARG 115 Ca 0.16 -0.31 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 1iu8 h ARG 115 Cb 0.23 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 1iu8 h ARG 115 CO -0.30 0.95 0.55 0.93 -1.51 0.00 0.00 179.97 180.59 1iu8 h GLU 116 N 0.77 1.27 -0.41 0.20 3.07 -1.91 -0.76 114.58 116.80 1iu8 h GLU 116 Ca 0.14 -0.12 -0.04 0.00 -0.50 0.00 0.00 59.36 58.84 1iu8 h GLU 116 Cb 0.57 -0.26 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 1iu8 h GLU 116 CO 0.03 0.89 0.12 0.82 -1.40 0.00 0.00 179.01 179.48 1iu8 h ILE 117 N 1.29 1.22 -0.31 3.13 2.04 -0.83 -0.53 117.51 123.51 1iu8 h ILE 117 Ca 0.33 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 1iu8 h ILE 117 Cb -0.04 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1iu8 h ILE 117 CO -0.06 0.26 0.15 0.58 0.00 0.00 0.00 178.15 179.08 1iu8 h VAL 118 N 0.52 1.16 -0.35 1.67 2.07 -0.81 -1.22 116.25 119.30 1iu8 h VAL 118 Ca 0.13 -0.44 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 1iu8 h VAL 118 Cb 0.28 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1iu8 h VAL 118 CO -0.00 0.16 -0.04 -0.33 0.02 0.00 0.00 177.57 177.38 1iu8 h GLU 119 N 0.37 0.56 -0.27 1.57 4.39 -1.02 -1.64 114.58 118.54 1iu8 h GLU 119 Ca 0.11 -0.14 -0.13 0.00 0.34 0.00 0.00 59.36 59.54 1iu8 h GLU 119 Cb 0.12 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1iu8 h GLU 119 CO -0.01 0.62 -0.35 1.49 -1.16 0.00 0.00 179.01 179.59 1iu8 h GLU 120 N 0.53 0.59 -0.31 2.33 4.57 -0.79 -1.25 114.58 120.26 1iu8 h GLU 120 Ca 0.11 -0.28 -0.04 0.00 -1.18 0.00 0.00 59.36 57.97 1iu8 h GLU 120 Cb 0.41 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 1iu8 h GLU 120 CO 0.02 0.86 0.05 0.52 -1.18 0.00 0.00 179.01 179.28 1iu8 h MET 121 N 0.50 0.51 -0.86 1.92 2.86 -0.76 -2.87 114.93 116.24 1iu8 h MET 121 Ca 0.05 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1iu8 h MET 121 Cb 0.85 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.41 1iu8 h MET 121 CO 0.07 0.61 0.49 0.87 1.06 0.00 0.00 176.91 180.02 1iu8 h LYS 122 N 0.34 1.18 0.00 1.72 1.57 -1.13 -0.64 116.57 119.61 1iu8 h LYS 122 Ca 0.09 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1iu8 h LYS 122 Cb 0.35 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1iu8 h LYS 122 CO 0.01 0.84 -0.02 0.87 -0.57 0.00 0.00 179.45 180.58 1iu8 h LYS 123 N 1.19 0.00 -0.65 3.15 1.57 -1.06 0.06 116.57 120.83 1iu8 h LYS 123 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1iu8 h LYS 123 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1iu8 h LYS 123 CO -0.05 0.02 0.00 0.09 -0.57 0.00 0.00 179.45 178.94 1iu8 n ASN 124 N -3.48 4.92 -0.39 0.86 3.02 -0.37 -4.94 115.26 114.89 1iu8 n ASN 124 Ca -0.03 -2.51 -0.05 0.00 -0.03 0.00 0.00 54.58 51.97 1iu8 n ASN 124 Cb 0.11 -0.60 -0.02 0.00 -0.61 0.00 0.00 39.78 38.67 1iu8 n ASN 124 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iu8 n GLY 125 N 1.08 0.77 3.54 7.41 0.00 0.01 -5.02 105.19 112.98 1iu8 n GLY 125 Ca 0.26 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 1iu8 n GLY 125 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iu8 s ILE 126 N -2.17 4.97 -0.06 -0.61 1.01 -0.48 -4.99 121.20 118.86 1iu8 s ILE 126 Ca 0.00 0.05 -0.29 0.00 0.00 0.00 0.00 60.65 60.41 1iu8 s ILE 126 Cb 0.00 -3.35 -0.07 0.00 0.01 0.00 0.00 42.46 39.05 1iu8 s ILE 126 CO 0.00 0.29 1.93 -2.84 0.00 0.00 0.00 174.94 174.32 1iu8 s PRO 127 N 1.68 3.88 0.01 2.79 0.02 -1.26 -3.43 135.00 138.69 1iu8 s PRO 127 Ca 0.07 2.30 -0.06 0.00 0.02 0.00 0.00 61.00 63.34 1iu8 s PRO 127 Cb -0.16 -4.17 -0.01 0.00 0.02 0.00 0.00 34.50 30.19 1iu8 s PRO 127 CO 0.08 -1.23 0.10 0.00 -0.33 0.00 0.00 177.00 175.62 1iu8 s ALA 128 N 5.33 -0.19 0.08 -1.55 0.00 -1.26 -1.01 121.76 123.17 1iu8 s ALA 128 Ca 0.87 -0.31 -0.14 0.00 0.00 0.00 0.00 51.96 52.37 1iu8 s ALA 128 Cb -0.37 0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.93 1iu8 s ALA 128 CO 0.37 -0.23 0.33 0.54 0.00 0.00 0.00 175.76 176.78 1iu8 s VAL 129 N -1.68 0.09 0.32 0.00 0.11 -0.34 -4.90 120.40 113.99 1iu8 s VAL 129 Ca -0.13 -0.70 -0.22 0.00 -2.93 0.00 0.00 61.98 58.00 1iu8 s VAL 129 Cb -0.07 -1.10 -0.10 0.00 -1.53 0.00 0.00 36.38 33.59 1iu8 s VAL 129 CO -0.00 -0.39 0.85 -0.76 -3.33 0.00 0.00 175.10 171.47 1iu8 s LEU 130 N -2.47 4.22 0.02 2.54 1.43 -1.26 -1.02 118.68 122.15 1iu8 s LEU 130 Ca -0.00 1.61 0.05 0.00 -1.03 0.00 0.00 54.13 54.76 1iu8 s LEU 130 Cb 0.01 -4.01 -0.02 0.00 0.03 0.00 0.00 46.19 42.21 1iu8 s LEU 130 CO -0.08 -0.12 -0.15 -0.55 0.23 0.00 0.00 176.35 175.69 1iu8 s SER 131 N -1.83 1.78 0.00 2.29 0.15 -0.62 -4.82 113.70 110.65 1iu8 s SER 131 Ca 0.51 -0.40 0.12 0.00 0.70 0.00 0.00 55.95 56.88 1iu8 s SER 131 Cb -0.15 -0.15 0.23 0.00 -1.71 0.00 0.00 66.02 64.24 1iu8 s SER 131 CO 0.20 0.10 1.11 -1.22 1.20 0.00 0.00 173.24 174.62 1iu8 n TYR 132 N 2.17 0.28 -3.70 3.44 4.02 -1.26 -1.04 117.16 121.07 1iu8 n TYR 132 Ca -0.17 -0.27 -0.14 0.00 -0.01 0.00 0.00 57.90 57.31 1iu8 n TYR 132 Cb 0.55 -0.01 -0.14 0.00 -0.02 0.00 0.00 39.34 39.71 1iu8 n TYR 132 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 1iu8 s THR 133 N -1.01 -0.18 -0.92 -0.72 -1.32 -1.26 -4.52 115.64 105.70 1iu8 s THR 133 Ca 0.21 0.24 0.17 0.00 -1.21 0.00 0.00 61.69 61.10 1iu8 s THR 133 Cb 0.12 -0.33 0.73 0.00 -1.51 0.00 0.00 72.50 71.51 1iu8 s THR 133 CO 0.17 0.10 1.65 0.00 -2.21 0.00 0.00 174.62 174.32 1iu8 n ALA 134 N 4.76 3.23 0.00 11.08 0.00 -1.26 -5.04 120.51 133.29 1iu8 n ALA 134 Ca -0.16 -1.69 0.00 0.00 0.00 0.00 0.00 53.44 51.59 1iu8 n ALA 134 Cb 0.51 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1iu8 n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iu8 n GLY 135 N 0.97 -2.04 1.18 0.00 0.00 -1.26 -3.53 105.19 100.50 1iu8 n GLY 135 Ca 0.26 -1.58 0.04 0.00 0.00 0.00 0.00 46.02 44.74 1iu8 n GLY 135 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1iu8 n THR 136 N -0.04 0.55 -1.17 2.61 -2.24 -1.26 -4.56 114.28 108.18 1iu8 n THR 136 Ca 0.00 -1.46 0.00 0.00 -2.27 0.00 0.00 64.05 60.32 1iu8 n THR 136 Cb 0.00 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 1iu8 n THR 136 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iu8 n TYR 137 N 0.05 0.00 0.03 4.78 9.36 -1.26 -1.44 117.16 128.67 1iu8 n TYR 137 Ca 0.09 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.31 1iu8 n TYR 137 Cb 1.00 0.00 0.32 0.00 -0.63 0.00 0.00 39.34 40.02 1iu8 n TYR 137 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1iu8 h LEU 138 N 0.00 0.43 0.15 2.98 -0.00 -1.97 -2.41 115.31 114.50 1iu8 h LEU 138 Ca 0.00 -0.08 -0.01 0.00 -0.00 0.00 0.00 57.88 57.79 1iu8 h LEU 138 Cb 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 40.55 1iu8 h LEU 138 CO 0.00 0.52 -0.07 0.00 -0.00 0.00 0.00 178.44 178.89 1iu8 h ASN 140 N -0.39 0.80 -0.01 0.00 -1.24 -1.60 -1.35 115.58 111.80 1iu8 h ASN 140 Ca -0.02 -0.07 0.02 0.00 0.71 0.00 0.00 56.30 56.94 1iu8 h ASN 140 Cb 0.31 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 39.12 1iu8 h ASN 140 CO 0.03 0.67 -0.15 0.15 -1.29 0.00 0.00 177.43 176.84 1iu8 h PHE 141 N 0.89 -0.38 -0.65 0.67 3.57 -1.12 0.42 116.94 120.34 1iu8 h PHE 141 Ca 0.22 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.66 1iu8 h PHE 141 Cb 0.06 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 1iu8 h PHE 141 CO 0.01 -0.22 0.09 0.00 -2.23 0.00 0.00 178.31 175.97 1iu8 h ALA 142 N 0.72 0.93 -0.18 2.41 0.00 -0.83 -1.97 119.26 120.34 1iu8 h ALA 142 Ca 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1iu8 h ALA 142 Cb 0.31 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1iu8 h ALA 142 CO -0.15 0.66 0.11 1.98 0.00 0.00 0.00 179.25 181.86 1iu8 h MET 143 N 1.01 0.24 -0.15 0.00 1.85 -0.80 -1.63 114.93 115.45 1iu8 h MET 143 Ca 0.20 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.26 1iu8 h MET 143 Cb 0.45 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.42 1iu8 h MET 143 CO 0.01 0.18 0.05 -0.92 -0.40 0.00 0.00 176.91 175.83 1iu8 h TYR 144 N 0.23 0.24 -0.87 1.39 3.20 -0.82 -1.87 116.97 118.48 1iu8 h TYR 144 Ca 0.07 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.94 1iu8 h TYR 144 Cb -0.01 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.15 1iu8 h TYR 144 CO -0.06 0.34 0.57 -0.07 -1.64 0.00 0.00 178.16 177.30 1iu8 h LEU 145 N 0.07 0.95 -0.20 2.82 3.38 -1.30 0.22 115.31 121.25 1iu8 h LEU 145 Ca 0.05 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1iu8 h LEU 145 Cb 0.21 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1iu8 h LEU 145 CO -0.00 0.67 -0.04 0.74 0.09 0.00 0.00 178.44 179.89 1iu8 h THR 146 N 1.11 1.28 -0.11 0.22 2.02 -1.13 -1.13 112.91 115.17 1iu8 h THR 146 Ca 0.33 -1.01 -0.10 0.00 0.77 0.00 0.00 66.41 66.40 1iu8 h THR 146 Cb -0.03 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1iu8 h THR 146 CO -0.09 0.31 -0.39 -0.07 0.37 0.00 0.00 175.52 175.64 1iu8 h LEU 147 N 0.10 0.25 -0.39 2.58 3.38 -0.98 -2.23 115.31 118.03 1iu8 h LEU 147 Ca 0.05 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 1iu8 h LEU 147 Cb 0.49 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1iu8 h LEU 147 CO 0.02 0.63 -0.19 -0.74 0.09 0.00 0.00 178.44 178.25 1iu8 h HIS 148 N 0.21 0.94 -0.53 1.13 2.76 -0.49 -1.46 115.15 117.71 1iu8 h HIS 148 Ca 0.02 -0.23 -0.06 0.00 -2.20 0.00 0.00 60.37 57.90 1iu8 h HIS 148 Cb 0.79 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.51 1iu8 h HIS 148 CO 0.01 0.99 0.10 1.15 -1.30 0.00 0.00 177.93 178.88 1iu8 h THR 149 N 0.62 1.23 -0.18 6.26 2.02 -1.07 -0.51 112.91 121.29 1iu8 h THR 149 Ca 0.09 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.39 1iu8 h THR 149 Cb 0.75 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 1iu8 h THR 149 CO 0.06 0.32 0.06 -1.28 0.37 0.00 0.00 175.52 175.05 1iu8 h SER 150 N 0.79 0.26 -0.09 4.18 0.87 -1.17 0.32 113.55 118.71 1iu8 h SER 150 Ca 0.17 -0.19 -0.08 0.00 -1.23 0.00 0.00 61.79 60.46 1iu8 h SER 150 Cb 0.34 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1iu8 h SER 150 CO 0.00 0.38 -0.16 0.00 -0.53 0.00 0.00 176.83 176.51 1iu8 h ALA 151 N 0.89 1.23 0.01 6.23 0.00 -0.96 -0.49 119.26 126.16 1iu8 h ALA 151 Ca 0.06 -0.29 -0.35 0.00 0.00 0.00 0.00 54.91 54.33 1iu8 h ALA 151 Cb 0.21 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1iu8 h ALA 151 CO -0.00 0.50 -2.17 0.25 0.00 0.00 0.00 179.25 177.83 1iu8 n THR 152 N -4.18 1.49 0.29 0.00 -2.24 -0.23 -4.63 114.28 104.78 1iu8 n THR 152 Ca 0.00 -0.80 0.04 0.00 -2.27 0.00 0.00 64.05 61.02 1iu8 n THR 152 Cb 0.34 -0.80 -0.05 0.00 -2.10 0.00 0.00 70.33 67.72 1iu8 n THR 152 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1iu8 n LYS 153 N -2.93 3.27 -0.40 -0.78 5.02 0.11 -5.02 118.16 117.42 1iu8 n LYS 153 Ca -0.29 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 55.98 1iu8 n LYS 153 Cb 1.10 -0.97 0.00 0.00 -0.02 0.00 0.00 35.03 35.15 1iu8 n LYS 153 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iu8 n GLY 154 N 1.40 0.79 2.83 0.72 0.00 -0.19 -5.00 105.19 105.73 1iu8 n GLY 154 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 1iu8 n GLY 154 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1iu8 s TYR 155 N -2.85 0.14 1.08 1.61 -0.85 -1.26 -4.07 117.35 111.15 1iu8 s TYR 155 Ca 0.00 0.04 -0.15 0.00 -0.52 0.00 0.00 57.07 56.44 1iu8 s TYR 155 Cb 0.00 -0.23 0.23 0.00 0.38 0.00 0.00 41.96 42.34 1iu8 s TYR 155 CO 0.00 -0.07 1.10 -1.25 -1.52 0.00 0.00 175.55 173.81 1iu8 s PRO 156 N 0.67 -0.24 0.02 -3.49 0.04 -1.25 -3.11 135.00 127.64 1iu8 s PRO 156 Ca -0.06 0.31 -0.19 0.00 0.04 0.00 0.00 61.00 61.10 1iu8 s PRO 156 Cb -0.09 -1.68 -0.22 0.00 0.04 0.00 0.00 34.50 32.56 1iu8 s PRO 156 CO -0.02 -3.13 1.15 0.87 0.04 0.00 0.00 177.00 175.91 1iu8 h LYS 157 N -2.18 0.47 -4.45 4.56 1.57 -0.83 -3.40 116.57 112.31 1iu8 h LYS 157 Ca -0.52 -0.46 -0.22 0.00 -1.87 0.00 0.00 60.65 57.58 1iu8 h LYS 157 Cb 1.32 0.12 -0.19 0.00 0.08 0.00 0.00 32.23 33.57 1iu8 h LYS 157 CO 0.50 1.11 -0.71 0.96 -0.57 0.00 0.00 179.45 180.73 1iu8 s ILE 158 N -3.36 0.47 0.23 1.86 -4.36 -1.13 -5.01 121.20 109.89 1iu8 s ILE 158 Ca -0.13 -1.36 -0.20 0.00 -0.26 0.00 0.00 60.65 58.70 1iu8 s ILE 158 Cb 0.04 -0.94 0.03 0.00 1.25 0.00 0.00 42.46 42.84 1iu8 s ILE 158 CO 0.83 -0.61 0.62 0.00 0.24 0.00 0.00 174.94 176.02 1iu8 s ALA 159 N -2.29 -1.15 0.17 2.27 0.00 -1.26 -2.36 121.76 117.14 1iu8 s ALA 159 Ca -0.03 -0.14 -0.22 0.00 0.00 0.00 0.00 51.96 51.56 1iu8 s ALA 159 Cb -0.04 0.87 0.08 0.00 0.00 0.00 0.00 23.12 24.03 1iu8 s ALA 159 CO -0.02 -0.90 1.06 0.20 0.00 0.00 0.00 175.76 176.10 1iu8 s GLY 160 N -2.87 0.12 0.00 0.00 0.00 -0.96 -0.65 107.32 102.96 1iu8 s GLY 160 Ca 0.09 -0.34 0.04 0.00 0.00 0.00 0.00 44.72 44.50 1iu8 s GLY 160 CO -0.00 2.83 -0.11 -0.12 0.00 0.00 0.00 173.10 175.69 1iu8 s PHE 161 N -2.11 1.00 -0.08 1.90 2.19 -1.26 -1.22 117.98 118.40 1iu8 s PHE 161 Ca 0.23 -0.22 0.01 0.00 0.33 0.00 0.00 56.93 57.27 1iu8 s PHE 161 Cb -0.03 -0.63 0.02 0.00 -1.31 0.00 0.00 43.02 41.07 1iu8 s PHE 161 CO 0.05 -0.01 -0.09 0.42 1.83 0.00 0.00 175.22 177.42 1iu8 s ILE 162 N -0.40 0.97 -0.08 3.12 1.01 0.12 -1.36 121.20 124.57 1iu8 s ILE 162 Ca 0.03 -0.32 -0.05 0.00 0.00 0.00 0.00 60.65 60.31 1iu8 s ILE 162 Cb -0.05 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 1iu8 s ILE 162 CO -0.00 0.34 0.13 -1.00 0.00 0.00 0.00 174.94 174.40 1iu8 s HIS 163 N 1.18 3.52 0.12 3.97 3.76 0.08 -1.68 115.29 126.23 1iu8 s HIS 163 Ca -0.05 0.43 0.09 0.00 -0.15 0.00 0.00 55.06 55.38 1iu8 s HIS 163 Cb -0.14 -1.88 -0.04 0.00 1.11 0.00 0.00 32.58 31.63 1iu8 s HIS 163 CO -0.02 0.68 -0.22 0.14 -0.85 0.00 0.00 174.74 174.46 1iu8 s VAL 164 N -1.09 1.86 1.03 -0.90 -7.23 -0.25 -0.83 120.40 113.00 1iu8 s VAL 164 Ca 0.18 -1.63 -0.14 0.00 -1.81 0.00 0.00 61.98 58.57 1iu8 s VAL 164 Cb -0.12 -1.69 0.21 0.00 0.56 0.00 0.00 36.38 35.33 1iu8 s VAL 164 CO 0.08 -0.05 1.12 -2.84 -0.31 0.00 0.00 175.10 173.09 1iu8 s PRO 165 N -2.03 0.13 0.64 4.82 0.02 -1.26 -1.08 135.00 136.25 1iu8 s PRO 165 Ca 0.09 0.27 -0.18 0.00 0.02 0.00 0.00 61.00 61.21 1iu8 s PRO 165 Cb -0.10 -1.72 -0.01 0.00 0.02 0.00 0.00 34.50 32.69 1iu8 s PRO 165 CO 0.05 -2.88 1.23 0.71 -0.33 0.00 0.00 177.00 175.78 1iu8 s TYR 166 N -3.08 2.22 0.48 6.54 2.02 -1.26 -4.71 117.35 119.56 1iu8 s TYR 166 Ca 0.67 1.53 -0.05 0.00 -0.37 0.00 0.00 57.07 58.85 1iu8 s TYR 166 Cb -0.15 -3.53 -0.03 0.00 -0.40 0.00 0.00 41.96 37.84 1iu8 s TYR 166 CO 0.56 -2.51 0.78 0.95 -1.57 0.00 0.00 175.55 173.76 1iu8 s THR 167 N -1.65 4.86 0.30 -0.71 -4.23 -1.26 -0.86 115.64 112.09 1iu8 s THR 167 Ca 0.78 0.15 0.05 0.00 -1.18 0.00 0.00 61.69 61.49 1iu8 s THR 167 Cb -0.32 -3.84 0.29 0.00 1.34 0.00 0.00 72.50 69.97 1iu8 s THR 167 CO 0.38 -0.82 1.75 -0.65 -0.54 0.00 0.00 174.62 174.74 1iu8 h PRO 168 N 0.23 0.61 0.00 3.99 0.11 -1.91 -0.83 132.00 134.21 1iu8 h PRO 168 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1iu8 h PRO 168 Cb 1.21 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1iu8 h PRO 168 CO 0.62 0.41 0.00 0.38 -0.21 0.00 0.00 178.00 179.19 1iu8 h ASP 169 N 0.63 0.00 0.45 -2.05 2.03 -1.95 -2.63 116.42 112.91 1iu8 h ASP 169 Ca 0.57 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.87 1iu8 h ASP 169 Cb 0.97 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.47 1iu8 h ASP 169 CO -0.43 0.00 -0.57 0.00 -1.03 0.00 0.00 179.24 177.21 1iu8 n GLN 170 N -2.32 0.02 -0.06 4.15 6.02 -0.32 -4.31 117.38 120.55 1iu8 n GLN 170 Ca -0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.07 1iu8 n GLN 170 Cb 0.12 -1.51 0.11 0.00 1.02 0.00 0.00 30.24 29.98 1iu8 n GLN 170 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1iu8 n VAL 171 N -1.53 1.71 0.22 5.09 0.24 -0.99 -4.75 118.33 118.32 1iu8 n VAL 171 Ca 0.05 -2.00 0.15 0.00 -2.04 0.00 0.00 64.34 60.51 1iu8 n VAL 171 Cb 0.34 -0.09 0.80 0.00 -1.47 0.00 0.00 33.84 33.42 1iu8 n VAL 171 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1iu8 h LEU 172 N 0.04 0.00 -3.07 1.34 3.38 -1.75 -1.43 115.31 113.83 1iu8 h LEU 172 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1iu8 h LEU 172 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1iu8 h LEU 172 CO 0.00 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.91 1iu8 n GLU 173 N -4.02 2.15 -3.84 1.13 -0.58 -1.26 -4.95 120.64 109.27 1iu8 n GLU 173 Ca 0.01 -2.45 -0.36 0.00 -0.42 0.00 0.00 57.16 53.93 1iu8 n GLU 173 Cb 0.25 -1.51 -0.13 0.00 -0.57 0.00 0.00 31.44 29.48 1iu8 n GLU 173 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1iu8 s LYS 174 N -2.43 2.71 0.38 3.49 1.02 -0.54 -5.09 119.74 119.28 1iu8 s LYS 174 Ca 0.30 -1.10 -0.26 0.00 0.02 0.00 0.00 55.97 54.93 1iu8 s LYS 174 Cb 0.24 -3.26 -0.09 0.00 -0.52 0.00 0.00 37.83 34.21 1iu8 s LYS 174 CO 0.05 -0.55 1.23 0.21 -0.92 0.00 0.00 175.35 175.37 1iu8 s LYS 175 N 1.36 4.12 -1.73 1.68 2.47 -1.26 -3.52 119.74 122.86 1iu8 s LYS 175 Ca -0.01 1.99 -0.19 0.00 -1.56 0.00 0.00 55.97 56.20 1iu8 s LYS 175 Cb -0.18 -2.81 0.17 0.00 -1.46 0.00 0.00 37.83 33.55 1iu8 s LYS 175 CO 0.00 -0.31 0.74 -1.71 0.16 0.00 0.00 175.35 174.23 1iu8 n ASN 176 N 0.30 -2.92 -4.25 1.43 5.15 -1.26 -4.94 115.26 108.77 1iu8 n ASN 176 Ca 0.03 -1.06 -0.34 0.00 -0.60 0.00 0.00 54.58 52.60 1iu8 n ASN 176 Cb 0.45 -2.53 -0.14 0.00 -0.53 0.00 0.00 39.78 37.02 1iu8 n ASN 176 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1iu8 s THR 177 N -3.31 3.01 0.66 -0.44 2.01 -1.23 -5.11 115.64 111.23 1iu8 s THR 177 Ca 0.74 -0.66 -0.15 0.00 0.31 0.00 0.00 61.69 61.93 1iu8 s THR 177 Cb -0.41 -2.37 0.00 0.00 0.01 0.00 0.00 72.50 69.74 1iu8 s THR 177 CO 0.95 0.43 1.11 -2.16 -0.69 0.00 0.00 174.62 174.26 1iu8 s PRO 178 N 1.42 2.76 0.20 4.92 0.04 -1.26 -4.97 135.00 138.11 1iu8 s PRO 178 Ca 0.05 1.40 -0.09 0.00 0.04 0.00 0.00 61.00 62.40 1iu8 s PRO 178 Cb -0.14 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 1iu8 s PRO 178 CO -0.06 -1.28 0.33 -1.54 0.04 0.00 0.00 177.00 174.50 1iu8 s SER 179 N -2.57 0.00 -0.08 6.66 1.04 -1.26 -4.26 113.70 113.22 1iu8 s SER 179 Ca 0.67 -0.98 -0.07 0.00 0.48 0.00 0.00 55.95 56.05 1iu8 s SER 179 Cb -0.21 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.42 1iu8 s SER 179 CO 0.42 -0.98 0.21 -0.32 0.98 0.00 0.00 173.24 173.55 1iu8 s MET 180 N -4.02 0.24 0.47 4.02 1.75 -0.04 -4.90 119.30 116.81 1iu8 s MET 180 Ca 0.23 0.33 -0.24 0.00 -1.25 0.00 0.00 55.69 54.76 1iu8 s MET 180 Cb 0.02 0.07 -0.08 0.00 2.84 0.00 0.00 34.83 37.69 1iu8 s MET 180 CO 0.06 -0.06 1.37 0.43 -0.65 0.00 0.00 175.02 176.17 1iu8 n SER 181 N 3.20 2.94 -0.34 1.11 7.64 -1.26 -3.98 113.62 122.93 1iu8 n SER 181 Ca -0.15 1.08 -0.01 0.00 1.01 0.00 0.00 58.87 60.80 1iu8 n SER 181 Cb 0.57 -1.57 0.13 0.00 -1.01 0.00 0.00 64.21 62.33 1iu8 n SER 181 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1iu8 h LEU 182 N 2.01 1.01 -0.92 -3.43 5.85 -1.97 -2.08 115.31 115.77 1iu8 h LEU 182 Ca -0.50 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.26 1iu8 h LEU 182 Cb 1.28 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 42.03 1iu8 h LEU 182 CO 0.60 0.69 0.59 -2.24 -0.34 0.00 0.00 178.44 177.74 1iu8 h ASP 183 N 1.18 0.96 -0.31 1.25 3.04 -1.99 0.14 116.42 120.69 1iu8 h ASP 183 Ca 0.37 0.00 -0.14 0.00 -3.24 0.00 0.00 57.03 54.02 1iu8 h ASP 183 Cb 0.00 -0.20 -0.01 0.00 -1.04 0.00 0.00 39.33 38.08 1iu8 h ASP 183 CO -0.12 0.63 -0.32 -0.07 -2.04 0.00 0.00 179.24 177.32 1iu8 h LEU 184 N 1.11 0.88 -0.57 0.15 3.38 -1.80 -1.39 115.31 117.06 1iu8 h LEU 184 Ca 0.39 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1iu8 h LEU 184 Cb 0.09 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1iu8 h LEU 184 CO -0.15 1.12 0.11 -0.33 0.09 0.00 0.00 178.44 179.28 1iu8 h GLU 185 N 0.70 0.93 -0.52 1.13 5.08 -0.70 0.12 114.58 121.32 1iu8 h GLU 185 Ca 0.07 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.14 1iu8 h GLU 185 Cb 0.88 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 1iu8 h GLU 185 CO 0.08 0.88 0.11 0.82 -1.00 0.00 0.00 179.01 179.90 1iu8 h ILE 186 N 0.83 1.24 -0.70 3.13 2.04 -0.65 -1.73 117.51 121.67 1iu8 h ILE 186 Ca 0.18 -0.88 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 1iu8 h ILE 186 Cb 0.39 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1iu8 h ILE 186 CO 0.01 0.32 0.33 0.50 0.00 0.00 0.00 178.15 179.30 1iu8 h LYS 187 N 0.72 1.02 -0.35 2.37 3.64 -0.96 -0.27 116.57 122.74 1iu8 h LYS 187 Ca 0.16 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1iu8 h LYS 187 Cb 0.36 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1iu8 h LYS 187 CO 0.00 0.81 0.19 0.78 -2.27 0.00 0.00 179.45 178.96 1iu8 h GLY 188 N 0.98 0.52 1.42 5.01 0.00 -0.50 -0.57 103.07 109.94 1iu8 h GLY 188 Ca 0.24 -0.24 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1iu8 h GLY 188 CO -0.03 0.23 -0.20 -2.08 0.00 0.00 0.00 176.54 174.46 1iu8 h VAL 189 N 0.44 1.26 -0.57 4.60 2.07 -1.12 -0.84 116.25 122.09 1iu8 h VAL 189 Ca 0.12 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 1iu8 h VAL 189 Cb 0.07 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1iu8 h VAL 189 CO -0.02 0.42 0.36 -0.08 0.02 0.00 0.00 177.57 178.26 1iu8 h GLU 190 N 0.60 0.77 -0.69 1.57 4.81 -0.68 -0.41 114.58 120.54 1iu8 h GLU 190 Ca 0.09 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1iu8 h GLU 190 Cb 0.67 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 1iu8 h GLU 190 CO 0.05 0.54 0.39 0.82 -0.73 0.00 0.00 179.01 180.08 1iu8 h ILE 191 N 0.77 1.21 -0.63 2.32 2.04 -0.70 -1.16 117.51 121.37 1iu8 h ILE 191 Ca 0.21 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.57 1iu8 h ILE 191 Cb -0.04 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.29 1iu8 h ILE 191 CO -0.04 0.23 0.41 0.00 0.00 0.00 0.00 178.15 178.74 1iu8 h ALA 192 N 1.20 0.80 0.11 1.87 0.00 -0.41 -0.11 119.26 122.72 1iu8 h ALA 192 Ca 0.24 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1iu8 h ALA 192 Cb 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1iu8 h ALA 192 CO -0.04 0.20 -0.06 0.82 0.00 0.00 0.00 179.25 180.17 1iu8 h ILE 193 N 0.82 0.95 -0.87 0.00 2.04 -0.70 -1.70 117.51 118.06 1iu8 h ILE 193 Ca 0.24 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1iu8 h ILE 193 Cb -0.06 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 1iu8 h ILE 193 CO -0.07 0.06 0.46 0.03 0.00 0.00 0.00 178.15 178.64 1iu8 h ARG 194 N -0.26 1.22 -0.41 2.37 2.47 -0.98 0.61 114.38 119.39 1iu8 h ARG 194 Ca -0.02 -0.15 -0.10 0.00 -1.26 0.00 0.00 59.98 58.46 1iu8 h ARG 194 Cb 0.21 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.29 1iu8 h ARG 194 CO 0.03 0.90 -0.13 0.28 0.56 0.00 0.00 179.97 181.61 1iu8 h VAL 195 N 1.22 1.28 -0.61 2.04 2.07 -0.97 -0.04 116.25 121.24 1iu8 h VAL 195 Ca 0.30 -1.24 -0.09 0.00 0.82 0.00 0.00 66.70 66.50 1iu8 h VAL 195 Cb 0.05 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1iu8 h VAL 195 CO -0.05 0.42 0.02 0.00 0.02 0.00 0.00 177.57 177.98 1iu8 h ALA 196 N 0.84 0.81 -0.22 1.67 0.00 -1.06 -1.19 119.26 120.11 1iu8 h ALA 196 Ca 0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1iu8 h ALA 196 Cb 0.66 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1iu8 h ALA 196 CO 0.05 0.64 0.11 0.37 0.00 0.00 0.00 179.25 180.42 1iu8 h GLN 197 N 0.96 0.31 -0.36 0.00 4.15 -0.72 -1.00 115.11 118.44 1iu8 h GLN 197 Ca 0.17 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.54 1iu8 h GLN 197 Cb 0.54 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.15 1iu8 h GLN 197 CO 0.03 0.31 0.20 1.03 -1.93 0.00 0.00 178.83 178.47 1iu8 h SER 198 N 0.23 0.45 -0.40 -0.69 0.87 -0.87 -0.61 113.55 112.53 1iu8 h SER 198 Ca 0.08 -0.08 0.04 0.00 -1.23 0.00 0.00 61.79 60.60 1iu8 h SER 198 Cb 0.10 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 61.90 1iu8 h SER 198 CO -0.01 0.40 0.16 0.00 -0.53 0.00 0.00 176.83 176.85 1iu8 h ALA 199 N 1.07 0.48 -0.56 6.23 0.00 -1.00 -1.24 119.26 124.23 1iu8 h ALA 199 Ca 0.13 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1iu8 h ALA 199 Cb 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1iu8 h ALA 199 CO -0.02 -0.23 -0.05 1.25 0.00 0.00 0.00 179.25 180.21 1iu8 h LEU 200 N 0.33 1.01 0.03 0.00 5.85 -0.98 -2.70 115.31 118.85 1iu8 h LEU 200 Ca 0.18 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 1iu8 h LEU 200 Cb 0.15 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.90 1iu8 h LEU 200 CO -0.17 1.09 -0.02 -0.74 -0.34 0.00 0.00 178.44 178.27 1iu8 h HIS 201 N 0.90 -0.04 -0.01 1.25 2.76 -0.70 -2.66 115.15 116.65 1iu8 h HIS 201 Ca 0.15 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.30 1iu8 h HIS 201 Cb 0.60 0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.57 1iu8 h HIS 201 CO 0.04 0.01 -0.12 0.66 -1.30 0.00 0.00 177.93 177.22 1iu8 h SER 202 N -0.07 0.02 0.79 3.26 4.64 -1.24 -0.57 113.55 120.37 1iu8 h SER 202 Ca -0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1iu8 h SER 202 Cb 0.06 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1iu8 h SER 202 CO 0.01 0.14 0.00 -1.54 -0.87 0.00 0.00 176.83 174.56 1iu8 n SER 203 N -4.39 0.00 -0.59 4.97 3.41 -1.02 -2.84 113.62 113.17 1iu8 n SER 203 Ca -0.02 0.39 0.08 0.00 -0.26 0.00 0.00 58.87 59.06 1iu8 n SER 203 Cb 0.20 -0.46 0.06 0.00 -0.26 0.00 0.00 64.21 63.74 1iu8 n SER 203 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iu8 n GLN 204 N -1.46 1.29 -0.00 4.33 6.02 -0.25 -4.39 117.38 122.92 1iu8 n GLN 204 Ca 0.07 -1.34 0.08 0.00 -0.01 0.00 0.00 57.00 55.81 1iu8 n GLN 204 Cb 0.28 -1.29 -0.10 0.00 1.02 0.00 0.00 30.24 30.14 1iu8 n GLN 204 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1iu8 n LEU 205 N 0.73 0.68 0.00 1.08 4.77 -1.04 -5.09 117.00 118.13 1iu8 n LEU 205 Ca 0.09 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 1iu8 n LEU 205 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1iu8 n LEU 205 CO 0.11 0.17 0.15 0.54 -1.33 0.00 0.00 177.39 177.03