#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iu8 s SER 2 N 0.00 6.31 0.10 6.12 0.15 -1.26 -5.04 113.70 120.07 2iu8 s SER 2 Ca 0.00 0.63 -0.13 0.00 0.70 0.00 0.00 55.95 57.15 2iu8 s SER 2 Cb 0.00 -2.11 -0.16 0.00 -1.71 0.00 0.00 66.02 62.03 2iu8 s SER 2 CO 0.00 -0.36 1.29 -0.61 1.20 0.00 0.00 173.24 174.76 2iu8 h GLN 3 N 0.73 0.78 -3.70 5.44 4.15 -1.85 -3.47 115.11 117.18 2iu8 h GLN 3 Ca -0.49 -0.65 -0.10 0.00 0.77 0.00 0.00 58.65 58.19 2iu8 h GLN 3 Cb 1.21 0.14 -0.15 0.00 0.21 0.00 0.00 27.48 28.89 2iu8 h GLN 3 CO 0.62 1.26 -0.38 -1.12 -1.93 0.00 0.00 178.83 177.27 2iu8 s SER 4 N -7.10 0.09 -0.03 -0.69 0.01 -1.26 -5.11 113.70 99.60 2iu8 s SER 4 Ca -0.10 -0.53 0.05 0.00 1.31 0.00 0.00 55.95 56.67 2iu8 s SER 4 Cb 0.08 0.32 -0.01 0.00 0.21 0.00 0.00 66.02 66.62 2iu8 s SER 4 CO 0.90 -0.65 -0.17 -0.89 0.41 0.00 0.00 173.24 172.84 2iu8 s THR 5 N -3.30 1.37 0.09 1.44 2.01 -1.26 -4.43 115.64 111.56 2iu8 s THR 5 Ca 0.01 -0.72 0.06 0.00 0.31 0.00 0.00 61.69 61.35 2iu8 s THR 5 Cb 0.02 -1.16 -0.03 0.00 0.01 0.00 0.00 72.50 71.34 2iu8 s THR 5 CO -0.08 0.39 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.78 2iu8 s TYR 6 N -0.20 1.35 0.36 4.92 1.51 0.73 -4.95 117.35 121.07 2iu8 s TYR 6 Ca 0.02 -0.49 -0.10 0.00 -1.01 0.00 0.00 57.07 55.49 2iu8 s TYR 6 Cb -0.09 -0.74 -0.06 0.00 -0.11 0.00 0.00 41.96 40.96 2iu8 s TYR 6 CO 0.01 0.11 0.70 -1.54 -1.11 0.00 0.00 175.55 173.71 2iu8 s SER 7 N -2.03 6.54 0.20 2.29 1.04 -1.26 0.82 113.70 121.30 2iu8 s SER 7 Ca 0.03 1.04 -0.15 0.00 0.48 0.00 0.00 55.95 57.35 2iu8 s SER 7 Cb -0.08 -2.28 0.21 0.00 0.10 0.00 0.00 66.02 63.97 2iu8 s SER 7 CO 0.03 -0.31 1.63 0.25 0.98 0.00 0.00 173.24 175.82 2iu8 h LEU 8 N 1.57 -0.61 -0.29 2.42 5.85 -0.49 0.09 115.31 123.84 2iu8 h LEU 8 Ca -0.47 0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.37 2iu8 h LEU 8 Cb 1.18 0.39 -0.01 0.00 0.37 0.00 0.00 40.66 42.60 2iu8 h LEU 8 CO 0.65 -0.21 -0.05 -0.08 -0.34 0.00 0.00 178.44 178.41 2iu8 h GLU 9 N -0.02 0.54 -0.77 1.25 4.81 -1.48 0.54 114.58 119.46 2iu8 h GLU 9 Ca 0.28 -0.20 0.08 0.00 -0.13 0.00 0.00 59.36 59.39 2iu8 h GLU 9 Cb 0.45 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.73 2iu8 h GLU 9 CO -0.62 0.73 0.44 0.37 -0.73 0.00 0.00 179.01 179.20 2iu8 h GLN 10 N 0.31 0.75 -0.23 1.92 4.15 -1.70 -0.05 115.11 120.26 2iu8 h GLN 10 Ca 0.08 -0.05 -0.13 0.00 0.77 0.00 0.00 58.65 59.32 2iu8 h GLN 10 Cb 0.52 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.04 2iu8 h GLN 10 CO 0.02 0.50 -0.35 1.25 -1.93 0.00 0.00 178.83 178.32 2iu8 h LEU 11 N 0.77 0.71 -0.63 -2.39 5.85 -0.80 -0.91 115.31 117.91 2iu8 h LEU 11 Ca 0.36 -0.52 0.07 0.00 0.84 0.00 0.00 57.88 58.63 2iu8 h LEU 11 Cb 0.28 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 2iu8 h LEU 11 CO -0.22 1.09 0.31 0.00 -0.34 0.00 0.00 178.44 179.29 2iu8 h ALA 12 N 0.64 0.84 -0.54 1.25 0.00 -0.51 0.12 119.26 121.06 2iu8 h ALA 12 Ca 0.02 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2iu8 h ALA 12 Cb 0.94 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2iu8 h ALA 12 CO 0.08 -0.06 0.20 -0.44 0.00 0.00 0.00 179.25 179.04 2iu8 h ASP 13 N 0.57 0.76 -0.66 0.00 5.19 -0.93 -0.21 116.42 121.13 2iu8 h ASP 13 Ca 0.30 -0.18 -0.03 0.00 -0.62 0.00 0.00 57.03 56.50 2iu8 h ASP 13 Cb 0.27 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.54 2iu8 h ASP 13 CO -0.23 0.74 0.32 0.15 -3.12 0.00 0.00 179.24 177.10 2iu8 h PHE 14 N 0.74 0.97 -0.00 4.55 3.04 -0.39 -2.35 116.94 123.50 2iu8 h PHE 14 Ca 0.18 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.09 2iu8 h PHE 14 Cb 0.23 -0.30 0.00 0.00 2.56 0.00 0.00 35.95 38.43 2iu8 h PHE 14 CO 0.01 0.71 -0.07 1.28 -2.02 0.00 0.00 178.31 178.22 2iu8 n LEU 15 N -4.33 0.14 -3.84 0.59 4.32 0.36 -4.93 117.00 109.31 2iu8 n LEU 15 Ca 0.06 0.28 -0.27 0.00 -0.02 0.00 0.00 56.01 56.06 2iu8 n LEU 15 Cb 0.14 -0.34 0.01 0.00 -1.62 0.00 0.00 43.42 41.61 2iu8 n LEU 15 CO 0.39 0.03 -0.16 0.29 -1.22 0.00 0.00 177.39 176.71 2iu8 n LYS 16 N -1.31 -2.83 -4.17 3.23 4.76 -0.77 -5.00 118.16 112.07 2iu8 n LYS 16 Ca 0.11 0.44 -0.16 0.00 -2.87 0.00 0.00 58.31 55.84 2iu8 n LYS 16 Cb 0.29 -4.45 -0.11 0.00 -1.84 0.00 0.00 35.03 28.92 2iu8 n LYS 16 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2iu8 s VAL 17 N -3.77 0.98 0.44 -0.18 1.01 -0.16 -5.03 120.40 113.69 2iu8 s VAL 17 Ca 0.15 -1.51 -0.14 0.00 0.00 0.00 0.00 61.98 60.48 2iu8 s VAL 17 Cb -0.06 -1.23 -0.08 0.00 0.00 0.00 0.00 36.38 35.02 2iu8 s VAL 17 CO 0.87 -0.44 0.86 -0.70 0.00 0.00 0.00 175.10 175.69 2iu8 s GLU 18 N -2.39 3.92 0.07 2.72 2.12 -0.99 -4.37 118.70 119.79 2iu8 s GLU 18 Ca 0.02 0.74 0.05 0.00 0.36 0.00 0.00 54.97 56.14 2iu8 s GLU 18 Cb -0.06 -2.28 -0.03 0.00 0.26 0.00 0.00 34.13 32.02 2iu8 s GLU 18 CO 0.01 -0.10 -0.13 -0.59 -0.54 0.00 0.00 175.26 173.91 2iu8 s PHE 19 N -2.39 1.16 -0.01 5.30 -0.12 -1.26 0.86 117.98 121.52 2iu8 s PHE 19 Ca 0.56 -0.49 0.04 0.00 -0.05 0.00 0.00 56.93 56.99 2iu8 s PHE 19 Cb -0.10 -0.65 -0.01 0.00 -0.63 0.00 0.00 43.02 41.63 2iu8 s PHE 19 CO 0.28 0.04 -0.14 -0.65 -0.05 0.00 0.00 175.22 174.70 2iu8 s GLN 20 N -1.90 1.15 0.00 1.99 -1.52 -0.43 -4.97 119.66 113.99 2iu8 s GLN 20 Ca -0.01 -0.50 0.00 0.00 -1.95 0.00 0.00 55.36 52.90 2iu8 s GLN 20 Cb -0.09 -1.11 0.00 0.00 -0.22 0.00 0.00 33.01 31.59 2iu8 s GLN 20 CO 0.02 0.30 0.00 0.41 -0.25 0.00 0.00 175.29 175.77 2iu8 n GLY 21 N 2.76 0.23 3.48 3.09 0.00 -1.26 0.32 105.19 113.82 2iu8 n GLY 21 Ca -0.14 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 2iu8 n GLY 21 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2iu8 s ASN 22 N -4.00 6.12 0.56 1.61 3.84 -1.26 -4.95 114.94 116.86 2iu8 s ASN 22 Ca 0.00 -0.73 0.36 0.00 0.21 0.00 0.00 52.86 52.70 2iu8 s ASN 22 Cb 0.00 -2.17 1.65 0.00 -0.55 0.00 0.00 41.25 40.18 2iu8 s ASN 22 CO 0.00 -0.43 2.08 1.23 -2.79 0.00 0.00 177.10 177.19 2iu8 h GLY 23 N 8.70 0.00 -0.51 1.21 0.00 -1.95 -2.50 103.07 108.02 2iu8 h GLY 23 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2iu8 h GLY 23 CO 0.72 0.00 -0.13 0.00 0.00 0.00 0.00 176.54 177.14 2iu8 n ALA 24 N -2.06 2.81 -1.73 3.60 0.00 -1.26 -1.30 120.51 120.57 2iu8 n ALA 24 Ca -0.00 -0.49 -0.42 0.00 0.00 0.00 0.00 53.44 52.53 2iu8 n ALA 24 Cb 0.23 -1.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 2iu8 n ALA 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2iu8 s THR 25 N -2.20 2.07 -0.12 0.00 2.01 -0.94 -4.74 115.64 111.72 2iu8 s THR 25 Ca 0.30 0.02 -0.18 0.00 0.31 0.00 0.00 61.69 62.15 2iu8 s THR 25 Cb 0.20 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 69.65 2iu8 s THR 25 CO 0.41 0.00 0.47 -0.76 -0.69 0.00 0.00 174.62 174.05 2iu8 s LEU 26 N 1.32 4.28 -0.08 4.42 1.43 -1.26 -0.30 118.68 128.49 2iu8 s LEU 26 Ca 0.75 0.81 0.04 0.00 -1.03 0.00 0.00 54.13 54.70 2iu8 s LEU 26 Cb -0.49 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.04 2iu8 s LEU 26 CO 0.32 0.01 -0.20 -0.76 0.23 0.00 0.00 176.35 175.95 2iu8 s LEU 27 N 0.60 1.96 -0.01 1.79 1.43 0.24 -4.52 118.68 120.17 2iu8 s LEU 27 Ca 0.26 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 2iu8 s LEU 27 Cb -0.15 -1.21 0.02 0.00 0.03 0.00 0.00 46.19 44.87 2iu8 s LEU 27 CO 0.10 0.14 0.85 -1.54 0.23 0.00 0.00 176.35 176.12 2iu8 n SER 28 N 3.50 0.20 0.00 2.29 3.41 0.10 -0.19 113.62 122.93 2iu8 n SER 28 Ca -0.20 -1.74 0.00 0.00 -0.26 0.00 0.00 58.87 56.68 2iu8 n SER 28 Cb 0.53 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 2iu8 n SER 28 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2iu8 n GLY 29 N -0.10 -0.84 3.40 5.00 0.00 -1.23 -4.66 105.19 106.76 2iu8 n GLY 29 Ca 0.01 -1.08 -0.25 0.00 0.00 0.00 0.00 46.02 44.70 2iu8 n GLY 29 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2iu8 s VAL 30 N -2.00 2.19 0.02 1.61 -7.23 -1.26 -0.43 120.40 113.31 2iu8 s VAL 30 Ca 0.00 -2.01 -0.24 0.00 -1.81 0.00 0.00 61.98 57.92 2iu8 s VAL 30 Cb 0.00 -2.04 0.05 0.00 0.56 0.00 0.00 36.38 34.95 2iu8 s VAL 30 CO 0.00 -0.19 0.54 -0.70 -0.31 0.00 0.00 175.10 174.44 2iu8 s GLU 31 N -2.74 1.01 0.65 4.82 2.56 -0.53 -4.85 118.70 119.63 2iu8 s GLU 31 Ca 0.19 -0.13 -0.17 0.00 0.00 0.00 0.00 54.97 54.86 2iu8 s GLU 31 Cb -0.07 0.47 -0.01 0.00 2.00 0.00 0.00 34.13 36.52 2iu8 s GLU 31 CO 0.09 -0.35 1.21 -1.21 -0.56 0.00 0.00 175.26 174.44 2iu8 s GLU 32 N -2.11 2.63 0.37 4.30 0.41 -1.26 -4.25 118.70 118.79 2iu8 s GLU 32 Ca -0.07 1.80 0.08 0.00 -0.41 0.00 0.00 54.97 56.36 2iu8 s GLU 32 Cb -0.01 -1.89 0.80 0.00 -1.78 0.00 0.00 34.13 31.26 2iu8 s GLU 32 CO 0.01 -1.47 1.95 0.97 -0.49 0.00 0.00 175.26 176.24 2iu8 h ILE 33 N 0.38 0.98 0.00 -1.63 2.10 -1.96 -1.28 117.51 116.11 2iu8 h ILE 33 Ca -0.49 -0.23 0.00 0.00 1.08 0.00 0.00 64.86 65.21 2iu8 h ILE 33 Cb 1.30 0.24 0.00 0.00 -1.09 0.00 0.00 36.82 37.27 2iu8 h ILE 33 CO 0.53 0.12 0.00 -1.84 -1.08 0.00 0.00 178.15 175.88 2iu8 n GLU 34 N -4.49 0.35 0.00 2.19 0.00 -1.26 -3.64 120.64 113.79 2iu8 n GLU 34 Ca 0.11 0.05 0.00 0.00 0.00 0.00 0.00 57.16 57.32 2iu8 n GLU 34 Cb 0.28 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.22 2iu8 n GLU 34 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2iu8 n GLU 35 N -1.29 0.62 -2.30 3.44 1.02 -0.56 -5.06 120.64 116.51 2iu8 n GLU 35 Ca 0.12 -0.20 -0.38 0.00 -0.02 0.00 0.00 57.16 56.67 2iu8 n GLU 35 Cb 0.20 -0.64 -0.02 0.00 -0.02 0.00 0.00 31.44 30.95 2iu8 n GLU 35 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2iu8 s ALA 36 N -0.15 3.17 0.46 0.62 0.00 -0.77 -4.93 121.76 120.17 2iu8 s ALA 36 Ca 0.00 0.96 0.03 0.00 0.00 0.00 0.00 51.96 52.95 2iu8 s ALA 36 Cb 0.00 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 2iu8 s ALA 36 CO 0.00 -0.51 0.02 0.15 0.00 0.00 0.00 175.76 175.42 2iu8 s LYS 37 N -2.27 2.08 0.28 0.00 1.02 -1.26 -3.66 119.74 115.93 2iu8 s LYS 37 Ca 0.56 -2.28 0.03 0.00 0.02 0.00 0.00 55.97 54.31 2iu8 s LYS 37 Cb -0.31 -1.44 0.73 0.00 -0.52 0.00 0.00 37.83 36.29 2iu8 s LYS 37 CO 0.38 -0.28 1.40 2.41 -0.92 0.00 0.00 175.35 178.34 2iu8 n THR 38 N -1.12 -0.37 0.65 2.17 -1.04 -0.72 -0.41 114.28 113.44 2iu8 n THR 38 Ca -0.13 1.95 0.09 0.00 -2.04 0.00 0.00 64.05 63.91 2iu8 n THR 38 Cb 0.67 -2.87 0.40 0.00 -1.82 0.00 0.00 70.33 66.71 2iu8 n THR 38 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2iu8 n ALA 39 N -3.14 1.86 -2.85 2.41 0.00 -1.26 -1.73 120.51 115.80 2iu8 n ALA 39 Ca 0.22 -0.07 -0.35 0.00 0.00 0.00 0.00 53.44 53.25 2iu8 n ALA 39 Cb 0.73 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 18.81 2iu8 n ALA 39 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2iu8 s HIS 40 N -2.98 3.48 -0.04 0.00 3.76 0.45 -0.72 115.29 119.24 2iu8 s HIS 40 Ca 0.09 0.38 -0.17 0.00 -0.15 0.00 0.00 55.06 55.21 2iu8 s HIS 40 Cb 0.12 -1.85 -0.05 0.00 1.11 0.00 0.00 32.58 31.91 2iu8 s HIS 40 CO 0.34 0.65 0.46 0.42 -0.85 0.00 0.00 174.74 175.76 2iu8 s ILE 41 N -1.14 5.04 0.37 0.60 1.01 0.43 -1.38 121.20 126.13 2iu8 s ILE 41 Ca 0.20 0.95 0.06 0.00 0.00 0.00 0.00 60.65 61.86 2iu8 s ILE 41 Cb -0.12 -3.79 -0.02 0.00 0.01 0.00 0.00 42.46 38.54 2iu8 s ILE 41 CO 0.10 0.47 0.20 1.07 0.00 0.00 0.00 174.94 176.78 2iu8 n THR 42 N 2.58 0.00 -4.09 2.92 5.66 0.92 -1.46 114.28 120.81 2iu8 n THR 42 Ca -0.10 -2.36 -0.13 0.00 -3.05 0.00 0.00 64.05 58.40 2iu8 n THR 42 Cb 0.52 0.99 -0.11 0.00 -1.55 0.00 0.00 70.33 70.18 2iu8 n THR 42 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 2iu8 s PHE 43 N -3.18 0.77 -0.21 1.09 -0.12 -1.26 0.19 117.98 115.26 2iu8 s PHE 43 Ca 0.28 -0.55 -0.09 0.00 -0.05 0.00 0.00 56.93 56.52 2iu8 s PHE 43 Cb 0.01 -0.45 -0.05 0.00 -0.63 0.00 0.00 43.02 41.91 2iu8 s PHE 43 CO 0.20 -0.07 0.12 -1.17 -0.05 0.00 0.00 175.22 174.24 2iu8 s LEU 44 N -1.81 4.05 -0.59 -1.99 2.96 0.30 -4.62 118.68 116.98 2iu8 s LEU 44 Ca -0.06 0.14 0.05 0.00 -0.22 0.00 0.00 54.13 54.04 2iu8 s LEU 44 Cb -0.08 -2.05 0.34 0.00 0.50 0.00 0.00 46.19 44.89 2iu8 s LEU 44 CO -0.00 0.14 0.96 -0.67 -1.32 0.00 0.00 176.35 175.46 2iu8 n ASP 45 N 3.79 4.53 0.00 3.68 2.03 -1.26 -4.73 116.55 124.59 2iu8 n ASP 45 Ca -0.16 -3.68 0.00 0.00 0.52 0.00 0.00 54.79 51.47 2iu8 n ASP 45 Cb 0.52 -0.58 0.00 0.00 -0.72 0.00 0.00 41.12 40.34 2iu8 n ASP 45 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2iu8 n ASN 46 N -0.20 -1.78 -1.48 1.67 0.23 -1.26 -4.92 115.26 107.52 2iu8 n ASN 46 Ca 0.31 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.36 2iu8 n ASN 46 Cb 0.39 -2.65 0.00 0.00 -2.08 0.00 0.00 39.78 35.43 2iu8 n ASN 46 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2iu8 n GLU 47 N -0.95 1.47 0.00 -3.83 1.02 -1.26 -4.91 120.64 112.18 2iu8 n GLU 47 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2iu8 n GLU 47 Cb 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.57 2iu8 n GLU 47 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2iu8 n LYS 48 N -0.66 0.14 0.00 3.49 4.81 -1.26 -4.18 118.16 120.50 2iu8 n LYS 48 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2iu8 n LYS 48 Cb 0.00 -1.31 0.01 0.00 0.02 0.00 0.00 35.03 33.75 2iu8 n LYS 48 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2iu8 n TYR 49 N 0.76 0.00 -0.34 5.64 4.02 -1.26 -4.22 117.16 121.76 2iu8 n TYR 49 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.78 2iu8 n TYR 49 Cb 0.06 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.29 2iu8 n TYR 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2iu8 h ALA 50 N 2.53 -0.56 0.00 -0.72 0.00 -2.00 0.50 119.26 119.00 2iu8 h ALA 50 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2iu8 h ALA 50 Cb 0.00 1.29 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2iu8 h ALA 50 CO 0.00 -0.97 -0.14 0.87 0.00 0.00 0.00 179.25 179.02 2iu8 h LYS 51 N -0.11 0.00 0.00 0.00 1.57 -1.97 -2.57 116.57 113.49 2iu8 h LYS 51 Ca 0.15 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.85 2iu8 h LYS 51 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 2iu8 h LYS 51 CO -0.85 0.00 -0.39 0.45 -0.57 0.00 0.00 179.45 178.09 2iu8 h HIS 52 N 0.00 0.00 0.03 -1.35 3.86 -1.37 -2.99 115.15 113.33 2iu8 h HIS 52 Ca 0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 2iu8 h HIS 52 Cb 0.83 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.31 2iu8 h HIS 52 CO 0.00 0.39 -0.30 1.25 0.86 0.00 0.00 177.93 180.13 2iu8 h LEU 53 N 0.00 0.11 -1.22 2.43 5.85 0.20 -2.97 115.31 119.70 2iu8 h LEU 53 Ca -0.00 -0.95 0.05 0.00 0.84 0.00 0.00 57.88 57.82 2iu8 h LEU 53 Cb 0.87 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.81 2iu8 h LEU 53 CO 0.05 1.13 0.55 0.50 -0.34 0.00 0.00 178.44 180.33 2iu8 h LYS 54 N -0.85 0.93 -0.02 1.25 3.64 -1.55 -2.23 116.57 117.74 2iu8 h LYS 54 Ca -0.06 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2iu8 h LYS 54 Cb 1.18 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 2iu8 h LYS 54 CO 0.02 0.62 -0.01 -1.13 -2.27 0.00 0.00 179.45 176.67 2iu8 n SER 55 N -4.47 1.78 -4.72 4.20 3.41 -1.13 -4.93 113.62 107.76 2iu8 n SER 55 Ca 0.12 -1.57 -0.42 0.00 -0.26 0.00 0.00 58.87 56.74 2iu8 n SER 55 Cb 0.18 0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.11 2iu8 n SER 55 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2iu8 s SER 56 N -2.02 6.64 0.00 4.04 0.15 -0.84 -4.91 113.70 116.75 2iu8 s SER 56 Ca 0.35 2.55 0.22 0.00 0.70 0.00 0.00 55.95 59.77 2iu8 s SER 56 Cb 0.21 -2.59 0.57 0.00 -1.71 0.00 0.00 66.02 62.50 2iu8 s SER 56 CO 0.34 -0.78 1.48 -0.62 1.20 0.00 0.00 173.24 174.86 2iu8 n GLU 57 N 3.88 2.54 -1.74 5.44 1.02 -1.25 -5.01 120.64 125.52 2iu8 n GLU 57 Ca 0.13 -2.38 -0.39 0.00 -0.02 0.00 0.00 57.16 54.49 2iu8 n GLU 57 Cb 0.39 -1.52 0.03 0.00 -0.02 0.00 0.00 31.44 30.32 2iu8 n GLU 57 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2iu8 n ALA 58 N 1.47 1.68 0.31 0.62 0.00 -1.24 -1.75 120.51 121.60 2iu8 n ALA 58 Ca 0.22 0.18 0.14 0.00 0.00 0.00 0.00 53.44 53.98 2iu8 n ALA 58 Cb 0.58 -2.35 0.42 0.00 0.00 0.00 0.00 19.45 18.10 2iu8 n ALA 58 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2iu8 h GLY 59 N 1.76 0.00 -5.23 0.00 0.00 -0.36 -3.44 103.07 95.80 2iu8 h GLY 59 Ca -0.50 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 2iu8 h GLY 59 CO 0.58 0.00 -0.10 0.00 0.00 0.00 0.00 176.54 177.02 2iu8 s ALA 60 N -3.38 -1.61 -0.20 3.60 0.00 -0.92 -4.59 121.76 114.66 2iu8 s ALA 60 Ca 0.05 2.12 -0.00 0.00 0.00 0.00 0.00 51.96 54.13 2iu8 s ALA 60 Cb 0.08 -1.30 0.01 0.00 0.00 0.00 0.00 23.12 21.92 2iu8 s ALA 60 CO 0.58 -0.39 -0.15 0.42 0.00 0.00 0.00 175.76 176.22 2iu8 s ILE 61 N 1.68 2.43 -0.18 0.00 1.01 -0.43 -0.05 121.20 125.65 2iu8 s ILE 61 Ca -0.09 -0.85 -0.29 0.00 0.00 0.00 0.00 60.65 59.42 2iu8 s ILE 61 Cb -0.07 -2.07 0.00 0.00 0.01 0.00 0.00 42.46 40.34 2iu8 s ILE 61 CO -0.17 0.48 1.02 -0.63 0.00 0.00 0.00 174.94 175.63 2iu8 s ILE 62 N 1.33 4.73 0.01 2.92 1.01 0.13 -0.53 121.20 130.80 2iu8 s ILE 62 Ca 0.05 2.01 -0.01 0.00 0.00 0.00 0.00 60.65 62.69 2iu8 s ILE 62 Cb -0.14 -4.30 -0.01 0.00 0.01 0.00 0.00 42.46 38.02 2iu8 s ILE 62 CO -0.10 -0.11 0.01 -0.51 0.00 0.00 0.00 174.94 174.23 2iu8 s ILE 63 N 2.74 0.07 0.85 2.92 2.07 -0.59 -0.54 121.20 128.72 2iu8 s ILE 63 Ca 0.45 -0.58 -0.12 0.00 -1.41 0.00 0.00 60.65 58.99 2iu8 s ILE 63 Cb -0.16 -0.21 0.10 0.00 0.13 0.00 0.00 42.46 42.32 2iu8 s ILE 63 CO 0.10 -0.32 1.11 -0.94 -1.91 0.00 0.00 174.94 172.99 2iu8 s SER 64 N -0.96 4.04 0.16 4.50 1.04 -1.26 -1.24 113.70 119.98 2iu8 s SER 64 Ca -0.10 1.19 -0.15 0.00 0.48 0.00 0.00 55.95 57.36 2iu8 s SER 64 Cb -0.06 -1.87 0.04 0.00 0.10 0.00 0.00 66.02 64.23 2iu8 s SER 64 CO -0.00 -2.24 1.82 0.03 0.98 0.00 0.00 173.24 173.83 2iu8 h ARG 65 N -1.28 0.59 -0.44 4.02 3.08 -1.76 -1.98 114.38 116.61 2iu8 h ARG 65 Ca -0.49 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.51 2iu8 h ARG 65 Cb 1.29 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.19 2iu8 h ARG 65 CO 0.60 0.39 0.19 1.15 -1.07 0.00 0.00 179.97 181.22 2iu8 h THR 66 N 0.61 1.20 0.00 2.04 2.02 -1.93 -1.89 112.91 114.95 2iu8 h THR 66 Ca 0.17 -0.59 -0.10 0.00 0.77 0.00 0.00 66.41 66.66 2iu8 h THR 66 Cb -0.06 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 2iu8 h THR 66 CO -0.04 0.22 -0.47 1.56 0.37 0.00 0.00 175.52 177.16 2iu8 h GLN 67 N 0.56 0.00 -0.11 6.66 1.08 -1.94 -3.10 115.11 118.26 2iu8 h GLN 67 Ca 0.15 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.24 2iu8 h GLN 67 Cb 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 2iu8 h GLN 67 CO -0.01 0.47 -0.33 0.35 -0.95 0.00 0.00 178.83 178.35 2iu8 h PHE 68 N 0.00 0.55 -0.28 2.96 3.04 -1.07 -3.06 116.94 119.08 2iu8 h PHE 68 Ca -0.00 -0.22 0.08 0.00 3.98 0.00 0.00 57.97 61.81 2iu8 h PHE 68 Cb 0.84 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.24 2iu8 h PHE 68 CO 0.00 0.95 0.58 1.96 -2.02 0.00 0.00 178.31 179.78 2iu8 h GLN 69 N -0.00 0.00 0.00 1.11 1.08 -1.27 0.36 115.11 116.39 2iu8 h GLN 69 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2iu8 h GLN 69 Cb 0.96 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.39 2iu8 h GLN 69 CO 0.07 0.00 -1.31 1.63 -0.95 0.00 0.00 178.83 178.27 2iu8 n LYS 70 N -3.17 0.60 -0.75 1.46 5.02 -1.17 -4.37 118.16 115.79 2iu8 n LYS 70 Ca 0.05 0.02 0.06 0.00 -2.02 0.00 0.00 58.31 56.41 2iu8 n LYS 70 Cb 0.70 -1.72 0.13 0.00 -0.02 0.00 0.00 35.03 34.13 2iu8 n LYS 70 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2iu8 n TYR 71 N -2.51 0.00 -0.05 2.13 4.02 -0.01 -4.84 117.16 115.91 2iu8 n TYR 71 Ca -0.01 -1.05 0.10 0.00 -0.01 0.00 0.00 57.90 56.92 2iu8 n TYR 71 Cb 0.55 -0.19 0.48 0.00 -0.02 0.00 0.00 39.34 40.16 2iu8 n TYR 71 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 2iu8 h ARG 72 N 0.78 0.42 0.00 -0.72 2.43 -1.41 -2.32 114.38 113.57 2iu8 h ARG 72 Ca -0.06 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2iu8 h ARG 72 Cb 1.27 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 2iu8 h ARG 72 CO 0.03 0.28 -0.03 -0.40 -1.51 0.00 0.00 179.97 178.34 2iu8 n ASP 73 N -4.47 0.28 -4.73 -3.80 3.85 -1.26 -4.89 116.55 101.53 2iu8 n ASP 73 Ca 0.07 0.49 -0.41 0.00 -0.71 0.00 0.00 54.79 54.23 2iu8 n ASP 73 Cb 0.27 -0.56 -0.03 0.00 -1.35 0.00 0.00 41.12 39.45 2iu8 n ASP 73 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 2iu8 s LEU 74 N -3.50 4.43 -1.33 -2.12 1.43 -0.87 -4.93 118.68 111.79 2iu8 s LEU 74 Ca 0.13 2.22 -0.17 0.00 -1.03 0.00 0.00 54.13 55.28 2iu8 s LEU 74 Cb 0.17 -3.60 0.04 0.00 0.03 0.00 0.00 46.19 42.83 2iu8 s LEU 74 CO 0.56 -0.41 1.93 -0.46 0.23 0.00 0.00 176.35 178.20 2iu8 n ASN 75 N 2.79 4.35 -3.87 2.29 6.94 -1.26 -4.89 115.26 121.60 2iu8 n ASN 75 Ca 0.05 -2.87 -0.10 0.00 -0.02 0.00 0.00 54.58 51.64 2iu8 n ASN 75 Cb 0.45 -1.69 -0.09 0.00 -2.36 0.00 0.00 39.78 36.09 2iu8 n ASN 75 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2iu8 s LYS 76 N 4.04 0.62 -0.21 -3.83 3.01 -1.26 -5.13 119.74 116.98 2iu8 s LYS 76 Ca 0.53 -0.62 -0.27 0.00 -1.01 0.00 0.00 55.97 54.60 2iu8 s LYS 76 Cb 0.08 0.25 -0.00 0.00 -1.01 0.00 0.00 37.83 37.15 2iu8 s LYS 76 CO 0.03 -0.17 0.91 -0.80 0.51 0.00 0.00 175.35 175.83 2iu8 s ASN 77 N -1.95 6.98 0.05 2.83 0.01 -1.26 -4.36 114.94 117.23 2iu8 s ASN 77 Ca -0.07 1.22 0.06 0.00 -0.71 0.00 0.00 52.86 53.36 2iu8 s ASN 77 Cb -0.02 -2.48 -0.03 0.00 0.41 0.00 0.00 41.25 39.12 2iu8 s ASN 77 CO -0.03 -0.54 -0.15 -0.36 -1.51 0.00 0.00 177.10 174.51 2iu8 s PHE 78 N 2.77 2.64 -0.30 2.20 0.40 0.15 -1.31 117.98 124.54 2iu8 s PHE 78 Ca 0.40 -0.20 -0.01 0.00 -0.60 0.00 0.00 56.93 56.51 2iu8 s PHE 78 Cb -0.16 -1.48 0.05 0.00 0.51 0.00 0.00 43.02 41.94 2iu8 s PHE 78 CO 0.09 0.31 -0.01 -0.51 0.70 0.00 0.00 175.22 175.79 2iu8 s LEU 79 N -1.57 3.84 -0.29 -0.37 1.43 0.32 -1.31 118.68 120.73 2iu8 s LEU 79 Ca 0.16 -1.29 -0.10 0.00 -1.03 0.00 0.00 54.13 51.87 2iu8 s LEU 79 Cb -0.11 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 2iu8 s LEU 79 CO 0.07 -0.25 0.16 -0.63 0.23 0.00 0.00 176.35 175.93 2iu8 s ILE 80 N 1.23 4.89 0.13 -0.59 1.01 0.25 -1.54 121.20 126.59 2iu8 s ILE 80 Ca -0.06 -0.11 0.09 0.00 0.00 0.00 0.00 60.65 60.57 2iu8 s ILE 80 Cb -0.20 -3.39 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 2iu8 s ILE 80 CO -0.02 0.19 -0.21 0.28 0.00 0.00 0.00 174.94 175.18 2iu8 s THR 81 N 1.68 1.86 -0.30 2.92 -1.32 -0.38 -2.34 115.64 117.77 2iu8 s THR 81 Ca 0.06 -1.72 0.23 0.00 -1.21 0.00 0.00 61.69 59.05 2iu8 s THR 81 Cb -0.16 -1.74 0.02 0.00 -1.51 0.00 0.00 72.50 69.11 2iu8 s THR 81 CO 0.08 -0.12 1.10 0.77 -2.21 0.00 0.00 174.62 174.24 2iu8 h SER 82 N 3.74 0.00 -4.49 8.08 4.64 -1.95 -2.24 113.55 121.33 2iu8 h SER 82 Ca -0.46 -0.03 -0.47 0.00 -0.47 0.00 0.00 61.79 60.36 2iu8 h SER 82 Cb 1.19 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 63.37 2iu8 h SER 82 CO 0.43 0.02 0.39 -1.61 -0.87 0.00 0.00 176.83 175.19 2iu8 s GLU 83 N -3.33 2.18 0.21 4.77 2.02 -1.26 -4.95 118.70 118.33 2iu8 s GLU 83 Ca 0.01 0.14 -0.31 0.00 0.02 0.00 0.00 54.97 54.83 2iu8 s GLU 83 Cb 0.10 -1.99 -0.10 0.00 0.10 0.00 0.00 34.13 32.24 2iu8 s GLU 83 CO 0.78 -1.44 1.49 -1.54 0.02 0.00 0.00 175.26 174.57 2iu8 s SER 84 N -4.53 6.63 0.26 -0.19 1.04 -1.26 -4.81 113.70 110.84 2iu8 s SER 84 Ca 0.61 2.63 -0.02 0.00 0.48 0.00 0.00 55.95 59.65 2iu8 s SER 84 Cb -0.11 -2.61 0.50 0.00 0.10 0.00 0.00 66.02 63.90 2iu8 s SER 84 CO 0.49 -0.75 1.77 -0.65 0.98 0.00 0.00 173.24 175.08 2iu8 h PRO 85 N 5.84 0.64 -0.52 4.02 0.11 -1.89 -1.89 132.00 138.31 2iu8 h PRO 85 Ca -0.44 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2iu8 h PRO 85 Cb 1.21 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 2iu8 h PRO 85 CO 0.84 0.42 0.28 1.03 -0.21 0.00 0.00 178.00 180.36 2iu8 h SER 86 N 0.66 0.63 -0.30 -2.05 0.87 -1.91 0.11 113.55 111.56 2iu8 h SER 86 Ca 0.45 -0.04 -0.17 0.00 -1.23 0.00 0.00 61.79 60.80 2iu8 h SER 86 Cb 0.59 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 2iu8 h SER 86 CO -0.34 0.51 -0.47 0.25 -0.53 0.00 0.00 176.83 176.25 2iu8 h LEU 87 N 0.72 0.92 -0.68 2.23 6.46 -1.73 -0.60 115.31 122.63 2iu8 h LEU 87 Ca 0.18 -0.52 -0.12 0.00 -0.12 0.00 0.00 57.88 57.31 2iu8 h LEU 87 Cb 0.02 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.67 2iu8 h LEU 87 CO -0.03 1.26 -0.24 0.58 -0.62 0.00 0.00 178.44 179.39 2iu8 h VAL 88 N 0.61 1.27 -0.82 1.05 2.07 -1.22 -2.89 116.25 116.33 2iu8 h VAL 88 Ca 0.02 -1.36 0.02 0.00 0.82 0.00 0.00 66.70 66.21 2iu8 h VAL 88 Cb 1.07 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 2iu8 h VAL 88 CO 0.11 0.45 0.53 0.15 0.02 0.00 0.00 177.57 178.83 2iu8 h PHE 89 N 0.67 1.00 -0.66 1.57 3.57 -0.63 -1.86 116.94 120.60 2iu8 h PHE 89 Ca 0.09 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.74 2iu8 h PHE 89 Cb 0.75 -0.34 -0.09 0.00 2.79 0.00 0.00 35.95 39.07 2iu8 h PHE 89 CO 0.04 0.60 0.19 0.37 -2.23 0.00 0.00 178.31 177.29 2iu8 h GLN 90 N 1.06 0.32 -0.70 1.11 5.75 -0.93 0.18 115.11 121.90 2iu8 h GLN 90 Ca 0.31 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.82 2iu8 h GLN 90 Cb -0.06 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.38 2iu8 h GLN 90 CO -0.09 0.21 0.46 0.87 -2.65 0.00 0.00 178.83 177.64 2iu8 h LYS 91 N 0.33 0.83 -0.12 1.69 1.57 -1.15 -1.93 116.57 117.79 2iu8 h LYS 91 Ca 0.35 -0.05 -0.20 0.00 -1.87 0.00 0.00 60.65 58.88 2iu8 h LYS 91 Cb 0.52 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2iu8 h LYS 91 CO -0.40 0.55 -0.74 0.00 -0.57 0.00 0.00 179.45 178.29 2iu8 h LEU 93 N 0.41 0.62 0.00 0.00 5.85 0.04 -2.52 115.31 119.70 2iu8 h LEU 93 Ca -0.04 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2iu8 h LEU 93 Cb 1.33 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.27 2iu8 h LEU 93 CO 0.14 0.39 0.00 -0.62 -0.34 0.00 0.00 178.44 178.01 2iu8 n GLU 94 N -4.75 0.84 0.04 1.25 1.02 -0.90 -1.39 120.64 116.75 2iu8 n GLU 94 Ca 0.10 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.36 2iu8 n GLU 94 Cb 0.18 -1.49 0.32 0.00 -0.02 0.00 0.00 31.44 30.43 2iu8 n GLU 94 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2iu8 n LEU 95 N -0.99 0.52 -0.02 -4.62 4.77 -0.95 -4.06 117.00 111.66 2iu8 n LEU 95 Ca 0.20 0.26 -0.03 0.00 -0.03 0.00 0.00 56.01 56.41 2iu8 n LEU 95 Cb 0.09 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 2iu8 n LEU 95 CO 0.15 -0.01 -0.66 0.49 -1.33 0.00 0.00 177.39 176.03 2iu8 n PHE 96 N -1.83 0.00 -3.92 -1.77 3.01 -0.48 -4.66 117.46 107.81 2iu8 n PHE 96 Ca 0.05 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.20 2iu8 n PHE 96 Cb 0.39 -0.21 -0.15 0.00 -0.01 0.00 0.00 39.48 39.50 2iu8 n PHE 96 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2iu8 s ILE 97 N -2.11 1.81 0.10 4.37 1.01 -0.61 -4.73 121.20 121.05 2iu8 s ILE 97 Ca -0.05 -2.08 -0.30 0.00 0.00 0.00 0.00 60.65 58.22 2iu8 s ILE 97 Cb 0.02 -2.34 -0.06 0.00 0.01 0.00 0.00 42.46 40.08 2iu8 s ILE 97 CO 0.15 -0.64 1.05 0.42 0.00 0.00 0.00 174.94 175.92 2iu8 s THR 98 N 1.08 4.29 0.43 2.92 -4.23 -1.26 -4.29 115.64 114.58 2iu8 s THR 98 Ca 0.11 1.81 -0.26 0.00 -1.18 0.00 0.00 61.69 62.18 2iu8 s THR 98 Cb -0.19 -4.16 -0.09 0.00 1.34 0.00 0.00 72.50 69.41 2iu8 s THR 98 CO -0.13 0.23 1.40 -2.84 -0.54 0.00 0.00 174.62 172.74 2iu8 s PRO 99 N 0.30 3.80 0.11 3.99 0.02 -1.26 -5.01 135.00 136.94 2iu8 s PRO 99 Ca 0.51 2.35 0.06 0.00 0.02 0.00 0.00 61.00 63.95 2iu8 s PRO 99 Cb -0.26 -2.71 -0.03 0.00 0.02 0.00 0.00 34.50 31.52 2iu8 s PRO 99 CO 0.31 -0.70 -0.16 0.14 -0.33 0.00 0.00 177.00 176.26 2iu8 s VAL 100 N -1.21 1.41 0.48 3.83 -7.23 -1.26 -5.16 120.40 111.25 2iu8 s VAL 100 Ca 0.59 -1.58 0.02 0.00 -1.81 0.00 0.00 61.98 59.20 2iu8 s VAL 100 Cb -0.42 -1.44 0.02 0.00 0.56 0.00 0.00 36.38 35.10 2iu8 s VAL 100 CO 0.55 -0.27 0.15 -0.90 -0.31 0.00 0.00 175.10 174.31 2iu8 n ASP 101 N 0.84 3.01 0.23 4.85 5.68 -1.26 -5.05 116.55 124.86 2iu8 n ASP 101 Ca -0.18 -2.90 0.10 0.00 -0.50 0.00 0.00 54.79 51.31 2iu8 n ASP 101 Cb 0.55 0.18 0.55 0.00 -1.14 0.00 0.00 41.12 41.26 2iu8 n ASP 101 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2iu8 h SER 102 N 0.91 0.00 0.00 -1.12 4.64 -2.06 -3.46 113.55 112.46 2iu8 h SER 102 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2iu8 h SER 102 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2iu8 h SER 102 CO 0.58 0.21 0.00 0.61 -0.87 0.00 0.00 176.83 177.36 2iu8 n GLY 103 N -0.19 0.84 3.04 -0.77 0.00 -1.26 -5.05 105.19 101.79 2iu8 n GLY 103 Ca -0.01 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 2iu8 n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2iu8 s PHE 104 N -2.00 3.46 0.56 1.61 0.40 -1.26 -5.10 117.98 115.65 2iu8 s PHE 104 Ca 0.00 -2.98 -0.14 0.00 -0.60 0.00 0.00 56.93 53.21 2iu8 s PHE 104 Cb 0.00 -3.05 -0.06 0.00 0.51 0.00 0.00 43.02 40.42 2iu8 s PHE 104 CO 0.00 -0.75 1.01 -1.25 0.70 0.00 0.00 175.22 174.92 2iu8 s PRO 105 N -0.57 3.76 2.63 0.24 0.04 -1.26 -4.81 135.00 135.04 2iu8 s PRO 105 Ca 0.20 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.14 2iu8 s PRO 105 Cb -0.17 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.26 2iu8 s PRO 105 CO -0.06 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 176.96 2iu8 n GLY 106 N -1.97 0.18 3.64 0.56 0.00 -1.26 -4.65 105.19 101.68 2iu8 n GLY 106 Ca 0.07 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 2iu8 n GLY 106 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2iu8 s ILE 107 N 0.00 4.90 0.32 -0.61 1.01 -1.26 -1.64 121.20 123.92 2iu8 s ILE 107 Ca 0.00 1.38 -0.27 0.00 0.00 0.00 0.00 60.65 61.75 2iu8 s ILE 107 Cb 0.00 -4.04 -0.09 0.00 0.01 0.00 0.00 42.46 38.34 2iu8 s ILE 107 CO 0.00 -0.03 1.04 -2.28 0.00 0.00 0.00 174.94 173.66 2iu8 s HIS 108 N 2.70 3.56 0.50 3.97 2.46 -0.35 -4.93 115.29 123.20 2iu8 s HIS 108 Ca 0.31 1.73 0.33 0.00 0.47 0.00 0.00 55.06 57.90 2iu8 s HIS 108 Cb -0.15 -3.14 1.46 0.00 -0.13 0.00 0.00 32.58 30.62 2iu8 s HIS 108 CO 0.08 -0.31 1.76 -1.35 -2.47 0.00 0.00 174.74 172.45 2iu8 h PRO 109 N 3.34 0.09 -0.02 2.88 0.11 -1.96 -0.21 132.00 136.24 2iu8 h PRO 109 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2iu8 h PRO 109 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2iu8 h PRO 109 CO 0.65 0.06 0.00 0.25 -0.21 0.00 0.00 178.00 178.75 2iu8 n THR 110 N -4.30 0.01 -2.18 -1.15 -2.24 -1.26 -4.86 114.28 98.30 2iu8 n THR 110 Ca 0.28 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.42 2iu8 n THR 110 Cb 1.25 0.37 -0.03 0.00 -2.10 0.00 0.00 70.33 69.83 2iu8 n THR 110 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2iu8 s ALA 111 N -1.99 3.57 -0.28 6.98 0.00 -0.09 -3.64 121.76 126.31 2iu8 s ALA 111 Ca 0.39 1.12 -0.12 0.00 0.00 0.00 0.00 51.96 53.35 2iu8 s ALA 111 Cb 0.21 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 2iu8 s ALA 111 CO 0.33 -0.60 0.22 0.08 0.00 0.00 0.00 175.76 175.80 2iu8 s VAL 112 N 0.84 5.29 -0.11 0.00 1.01 -0.34 -4.98 120.40 122.10 2iu8 s VAL 112 Ca 0.62 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.79 2iu8 s VAL 112 Cb -0.37 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.46 2iu8 s VAL 112 CO 0.32 0.21 -0.10 -0.63 0.00 0.00 0.00 175.10 174.90 2iu8 s ILE 113 N 1.80 1.19 0.27 2.22 1.01 -1.26 -0.08 121.20 126.36 2iu8 s ILE 113 Ca 0.08 -0.42 -0.30 0.00 0.00 0.00 0.00 60.65 60.01 2iu8 s ILE 113 Cb -0.16 -1.16 -0.11 0.00 0.01 0.00 0.00 42.46 41.04 2iu8 s ILE 113 CO 0.11 0.39 1.55 -2.28 0.00 0.00 0.00 174.94 174.71 2iu8 s HIS 114 N 1.46 2.85 0.57 3.97 5.65 0.30 -4.90 115.29 125.19 2iu8 s HIS 114 Ca 0.01 0.83 0.30 0.00 0.25 0.00 0.00 55.06 56.46 2iu8 s HIS 114 Cb -0.13 -3.99 1.45 0.00 -1.18 0.00 0.00 32.58 28.73 2iu8 s HIS 114 CO -0.07 -3.33 1.85 -1.00 -0.65 0.00 0.00 174.74 171.55 2iu8 h PRO 115 N 5.06 0.00 0.00 2.88 0.13 -1.93 -0.03 132.00 138.11 2iu8 h PRO 115 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2iu8 h PRO 115 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2iu8 h PRO 115 CO 0.80 0.00 -0.37 0.25 -0.23 0.00 0.00 178.00 178.45 2iu8 n THR 116 N -3.92 0.12 -2.36 1.56 -2.24 -1.26 -4.89 114.28 101.29 2iu8 n THR 116 Ca 0.14 -0.08 -0.37 0.00 -2.27 0.00 0.00 64.05 61.47 2iu8 n THR 116 Cb 0.87 -0.07 -0.02 0.00 -2.10 0.00 0.00 70.33 69.01 2iu8 n THR 116 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2iu8 s ALA 117 N -3.04 3.07 -0.24 6.98 0.00 -0.03 -3.92 121.76 124.57 2iu8 s ALA 117 Ca 0.11 0.87 -0.03 0.00 0.00 0.00 0.00 51.96 52.91 2iu8 s ALA 117 Cb 0.17 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.95 2iu8 s ALA 117 CO 0.66 -0.47 -0.04 0.42 0.00 0.00 0.00 175.76 176.32 2iu8 s ILE 118 N -1.53 3.15 -0.23 0.00 1.01 -0.32 -4.94 121.20 118.34 2iu8 s ILE 118 Ca 0.59 -0.81 -0.07 0.00 0.00 0.00 0.00 60.65 60.37 2iu8 s ILE 118 Cb -0.27 -2.54 -0.03 0.00 0.01 0.00 0.00 42.46 39.63 2iu8 s ILE 118 CO 0.34 0.27 0.05 -0.63 0.00 0.00 0.00 174.94 174.97 2iu8 s ILE 119 N 1.40 4.28 0.35 2.92 -1.09 -1.26 -1.54 121.20 126.26 2iu8 s ILE 119 Ca 0.03 -0.19 -0.06 0.00 -2.23 0.00 0.00 60.65 58.20 2iu8 s ILE 119 Cb -0.16 -2.98 0.08 0.00 -1.58 0.00 0.00 42.46 37.83 2iu8 s ILE 119 CO -0.04 0.37 0.44 -0.62 -1.23 0.00 0.00 174.94 173.87 2iu8 n GLU 120 N 4.59 -0.68 -2.19 2.79 -0.58 -0.49 -4.99 120.64 119.10 2iu8 n GLU 120 Ca -0.16 -0.69 -0.33 0.00 -0.42 0.00 0.00 57.16 55.56 2iu8 n GLU 120 Cb 0.52 -0.49 -0.00 0.00 -0.57 0.00 0.00 31.44 30.90 2iu8 n GLU 120 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 2iu8 s ASP 121 N -2.64 5.88 -1.69 1.62 -4.77 -1.26 -4.25 116.67 109.57 2iu8 s ASP 121 Ca 0.26 1.90 -0.01 0.00 -3.30 0.00 0.00 52.55 51.39 2iu8 s ASP 121 Cb -0.01 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.28 2iu8 s ASP 121 CO 0.18 -1.10 0.16 1.41 0.70 0.00 0.00 175.17 176.52 2iu8 n HIS 122 N -1.68 -1.28 -3.80 2.11 8.25 -1.26 -1.86 115.22 115.70 2iu8 n HIS 122 Ca 0.09 0.14 -0.32 0.00 -0.26 0.00 0.00 57.72 57.37 2iu8 n HIS 122 Cb 0.52 -4.03 -0.05 0.00 1.12 0.00 0.00 29.99 27.56 2iu8 n HIS 122 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2iu8 s VAL 123 N -3.05 5.30 -0.19 1.59 -7.23 -1.26 -3.10 120.40 112.45 2iu8 s VAL 123 Ca 0.08 -0.09 -0.07 0.00 -1.81 0.00 0.00 61.98 60.09 2iu8 s VAL 123 Cb -0.04 -3.61 -0.04 0.00 0.56 0.00 0.00 36.38 33.26 2iu8 s VAL 123 CO 0.10 0.18 0.06 0.00 -0.31 0.00 0.00 175.10 175.13 2iu8 s ILE 125 N 0.49 0.97 0.76 0.00 1.01 -0.65 -0.85 121.20 122.92 2iu8 s ILE 125 Ca 0.03 -0.26 -0.08 0.00 0.00 0.00 0.00 60.65 60.35 2iu8 s ILE 125 Cb -0.13 -1.00 0.10 0.00 0.01 0.00 0.00 42.46 41.44 2iu8 s ILE 125 CO 0.01 0.36 1.07 -1.61 0.00 0.00 0.00 174.94 174.77 2iu8 s GLU 126 N 1.69 1.82 0.08 2.79 2.02 0.03 -1.21 118.70 125.92 2iu8 s GLU 126 Ca 0.04 -0.41 -0.37 0.00 0.02 0.00 0.00 54.97 54.26 2iu8 s GLU 126 Cb -0.13 -2.13 -0.17 0.00 0.10 0.00 0.00 34.13 31.80 2iu8 s GLU 126 CO -0.08 -1.50 1.27 -2.30 0.02 0.00 0.00 175.26 172.68 2iu8 n PRO 127 N -3.08 0.97 -1.17 0.39 -0.02 -1.26 -2.87 135.00 127.96 2iu8 n PRO 127 Ca 0.10 0.35 -0.06 0.00 -2.02 0.00 0.00 63.50 61.88 2iu8 n PRO 127 Cb 0.60 -1.95 -0.03 0.00 -0.02 0.00 0.00 33.50 32.11 2iu8 n PRO 127 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2iu8 n TYR 128 N 2.24 0.00 -2.57 6.00 0.53 -1.24 -1.89 117.16 120.24 2iu8 n TYR 128 Ca 0.18 0.00 -0.36 0.00 -1.02 0.00 0.00 57.90 56.71 2iu8 n TYR 128 Cb 0.18 -1.60 -0.04 0.00 -1.03 0.00 0.00 39.34 36.85 2iu8 n TYR 128 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2iu8 s ALA 129 N -1.99 3.03 -0.13 -0.72 0.00 -1.14 -3.81 121.76 117.01 2iu8 s ALA 129 Ca 0.00 0.65 0.02 0.00 0.00 0.00 0.00 51.96 52.64 2iu8 s ALA 129 Cb 0.00 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.87 2iu8 s ALA 129 CO 0.00 -0.21 -0.20 0.08 0.00 0.00 0.00 175.76 175.43 2iu8 s VAL 130 N -1.77 1.91 -0.28 0.00 1.01 -0.04 -1.19 120.40 120.03 2iu8 s VAL 130 Ca 0.60 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.67 2iu8 s VAL 130 Cb -0.20 -1.70 0.04 0.00 0.00 0.00 0.00 36.38 34.52 2iu8 s VAL 130 CO 0.25 0.52 -0.02 -0.69 0.00 0.00 0.00 175.10 175.16 2iu8 s VAL 131 N 0.87 3.01 0.11 2.92 1.01 0.89 -0.52 120.40 128.69 2iu8 s VAL 131 Ca -0.07 -1.23 -0.01 0.00 0.00 0.00 0.00 61.98 60.67 2iu8 s VAL 131 Cb -0.15 -2.65 0.03 0.00 0.00 0.00 0.00 36.38 33.60 2iu8 s VAL 131 CO -0.02 0.00 0.15 0.00 0.00 0.00 0.00 175.10 175.24 2iu8 s GLN 133 N -3.15 4.32 -1.93 0.00 -2.07 -1.26 -2.92 119.66 112.65 2iu8 s GLN 133 Ca 0.09 2.20 0.00 0.00 -1.82 0.00 0.00 55.36 55.83 2iu8 s GLN 133 Cb -0.00 -3.15 0.00 0.00 -1.09 0.00 0.00 33.01 28.77 2iu8 s GLN 133 CO 0.06 -0.35 0.00 0.72 -1.32 0.00 0.00 175.29 174.40 2iu8 n HIS 134 N 2.46 -0.41 -1.62 9.60 8.25 -1.25 -0.72 115.22 131.53 2iu8 n HIS 134 Ca 0.06 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.23 2iu8 n HIS 134 Cb 0.41 -3.46 0.08 0.00 1.12 0.00 0.00 29.99 28.14 2iu8 n HIS 134 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2iu8 s ALA 135 N -2.75 2.39 -0.18 -1.41 0.00 -1.15 -3.72 121.76 114.93 2iu8 s ALA 135 Ca 0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 51.96 51.68 2iu8 s ALA 135 Cb 0.00 -3.09 0.07 0.00 0.00 0.00 0.00 23.12 20.10 2iu8 s ALA 135 CO 0.00 -1.60 0.14 -1.58 0.00 0.00 0.00 175.76 172.72 2iu8 s HIS 136 N -3.20 0.01 -0.29 0.00 2.46 0.12 -1.17 115.29 113.22 2iu8 s HIS 136 Ca 0.60 -0.10 -0.10 0.00 0.47 0.00 0.00 55.06 55.93 2iu8 s HIS 136 Cb -0.14 -0.56 -0.04 0.00 -0.13 0.00 0.00 32.58 31.72 2iu8 s HIS 136 CO 0.54 -0.55 0.17 0.08 -2.47 0.00 0.00 174.74 172.51 2iu8 s VAL 137 N 2.21 5.02 0.94 0.89 1.01 -0.59 -0.41 120.40 129.47 2iu8 s VAL 137 Ca 0.04 -0.03 -0.12 0.00 0.00 0.00 0.00 61.98 61.87 2iu8 s VAL 137 Cb -0.16 -3.43 0.15 0.00 0.00 0.00 0.00 36.38 32.94 2iu8 s VAL 137 CO -0.10 0.21 1.10 -0.83 0.00 0.00 0.00 175.10 175.47 2iu8 s GLY 138 N 1.71 1.59 0.46 4.51 0.00 0.82 -1.39 107.32 115.00 2iu8 s GLY 138 Ca 0.06 -0.31 -0.25 0.00 0.00 0.00 0.00 44.72 44.23 2iu8 s GLY 138 CO 0.09 0.25 1.34 -1.35 0.00 0.00 0.00 173.10 173.43 2iu8 s SER 139 N -3.61 5.92 -1.54 1.64 1.04 -1.26 -3.06 113.70 112.83 2iu8 s SER 139 Ca 0.64 2.73 0.00 0.00 0.48 0.00 0.00 55.95 59.80 2iu8 s SER 139 Cb -0.17 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.31 2iu8 s SER 139 CO 0.56 -1.13 0.00 0.00 0.98 0.00 0.00 173.24 173.66 2iu8 n ALA 140 N -0.29 -0.32 -1.83 5.32 0.00 -0.78 -1.77 120.51 120.84 2iu8 n ALA 140 Ca 0.06 0.21 -0.30 0.00 0.00 0.00 0.00 53.44 53.40 2iu8 n ALA 140 Cb 0.44 -1.71 0.04 0.00 0.00 0.00 0.00 19.45 18.22 2iu8 n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2iu8 s HIS 142 N -3.28 1.67 -0.31 0.00 5.65 -0.78 -0.96 115.29 117.27 2iu8 s HIS 142 Ca 0.58 -0.82 -0.05 0.00 0.25 0.00 0.00 55.06 55.02 2iu8 s HIS 142 Cb -0.12 -1.30 0.04 0.00 -1.18 0.00 0.00 32.58 30.02 2iu8 s HIS 142 CO 0.53 -0.50 0.06 0.42 -0.65 0.00 0.00 174.74 174.59 2iu8 s ILE 143 N 1.39 3.49 0.81 0.89 -1.09 -0.03 -0.26 121.20 126.40 2iu8 s ILE 143 Ca 0.00 -1.13 -0.11 0.00 -2.23 0.00 0.00 60.65 57.17 2iu8 s ILE 143 Cb -0.13 -2.94 0.08 0.00 -1.58 0.00 0.00 42.46 37.88 2iu8 s ILE 143 CO -0.06 -0.09 1.09 -0.83 -1.23 0.00 0.00 174.94 173.82 2iu8 s GLY 144 N 1.37 1.63 -0.36 6.18 0.00 0.10 -0.79 107.32 115.45 2iu8 s GLY 144 Ca -0.02 -0.07 -0.44 0.00 0.00 0.00 0.00 44.72 44.19 2iu8 s GLY 144 CO 0.01 0.35 1.57 1.44 0.00 0.00 0.00 173.10 176.47 2iu8 n SER 145 N -3.54 1.41 0.00 1.64 7.64 -1.26 -1.66 113.62 117.85 2iu8 n SER 145 Ca 0.07 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.11 2iu8 n SER 145 Cb 0.55 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 2iu8 n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2iu8 n GLY 146 N 3.72 0.37 3.78 0.23 0.00 -0.79 -0.87 105.19 111.62 2iu8 n GLY 146 Ca 0.28 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.96 2iu8 n GLY 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2iu8 s SER 147 N -2.07 5.53 -0.17 1.61 0.01 -0.66 -4.24 113.70 113.71 2iu8 s SER 147 Ca 0.00 2.01 -0.01 0.00 1.31 0.00 0.00 55.95 59.26 2iu8 s SER 147 Cb 0.00 -2.56 -0.00 0.00 0.21 0.00 0.00 66.02 63.67 2iu8 s SER 147 CO 0.00 -1.34 -0.12 -0.69 0.41 0.00 0.00 173.24 171.49 2iu8 s VAL 148 N -2.16 2.89 -0.36 3.43 1.01 -0.26 -0.86 120.40 124.09 2iu8 s VAL 148 Ca 0.68 -0.69 -0.10 0.00 0.00 0.00 0.00 61.98 61.88 2iu8 s VAL 148 Cb -0.20 -2.24 0.03 0.00 0.00 0.00 0.00 36.38 33.96 2iu8 s VAL 148 CO 0.34 0.50 0.17 -0.63 0.00 0.00 0.00 175.10 175.48 2iu8 s ILE 149 N 0.91 4.39 0.99 2.22 -1.09 0.32 -0.81 121.20 128.12 2iu8 s ILE 149 Ca -0.03 -0.86 -0.16 0.00 -2.23 0.00 0.00 60.65 57.37 2iu8 s ILE 149 Cb -0.15 -3.43 0.20 0.00 -1.58 0.00 0.00 42.46 37.50 2iu8 s ILE 149 CO -0.01 -0.18 1.25 -0.83 -1.23 0.00 0.00 174.94 173.95 2iu8 s GLY 150 N 1.53 1.71 0.07 6.18 0.00 0.10 -0.75 107.32 116.16 2iu8 s GLY 150 Ca 0.02 -1.04 -0.30 0.00 0.00 0.00 0.00 44.72 43.39 2iu8 s GLY 150 CO 0.06 -0.30 1.90 0.00 0.00 0.00 0.00 173.10 174.76 2iu8 s ALA 151 N -3.64 3.66 0.00 3.20 0.00 -1.26 -1.97 121.76 121.74 2iu8 s ALA 151 Ca 0.71 1.37 0.00 0.00 0.00 0.00 0.00 51.96 54.04 2iu8 s ALA 151 Cb -0.07 -3.81 0.00 0.00 0.00 0.00 0.00 23.12 19.25 2iu8 s ALA 151 CO 0.53 -1.42 0.00 0.66 0.00 0.00 0.00 175.76 175.53 2iu8 n TYR 152 N 6.75 0.00 -2.59 0.00 4.01 0.10 -1.29 117.16 124.14 2iu8 n TYR 152 Ca 0.19 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.53 2iu8 n TYR 152 Cb 0.40 -0.53 -0.05 0.00 -0.31 0.00 0.00 39.34 38.85 2iu8 n TYR 152 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2iu8 s SER 153 N -2.29 7.41 0.04 7.72 0.01 -0.83 -4.48 113.70 121.27 2iu8 s SER 153 Ca 0.00 2.09 0.04 0.00 1.31 0.00 0.00 55.95 59.40 2iu8 s SER 153 Cb 0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 2iu8 s SER 153 CO 0.00 -0.05 -0.06 0.42 0.41 0.00 0.00 173.24 173.96 2iu8 s THR 154 N -0.91 3.68 -0.25 1.44 -4.23 -0.55 -0.71 115.64 114.12 2iu8 s THR 154 Ca 0.44 -0.90 -0.02 0.00 -1.18 0.00 0.00 61.69 60.03 2iu8 s THR 154 Cb -0.29 -2.65 0.08 0.00 1.34 0.00 0.00 72.50 70.98 2iu8 s THR 154 CO 0.36 0.29 0.07 -0.69 -0.54 0.00 0.00 174.62 174.11 2iu8 s VAL 155 N -1.10 0.60 0.96 2.29 1.01 0.46 -0.28 120.40 124.34 2iu8 s VAL 155 Ca 0.20 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 61.18 2iu8 s VAL 155 Cb -0.11 -1.26 0.17 0.00 0.00 0.00 0.00 36.38 35.17 2iu8 s VAL 155 CO 0.11 -0.43 1.10 0.61 0.00 0.00 0.00 175.10 176.49 2iu8 n GLY 156 N 4.99 -0.70 3.61 4.51 0.00 0.16 -0.13 105.19 117.62 2iu8 n GLY 156 Ca -0.06 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 2iu8 n GLY 156 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2iu8 n GLU 157 N -4.28 1.32 -1.01 1.61 0.28 -1.26 -3.13 120.64 114.17 2iu8 n GLU 157 Ca 0.10 0.47 -0.00 0.00 -0.16 0.00 0.00 57.16 57.57 2iu8 n GLU 157 Cb 0.52 -2.04 -0.00 0.00 1.43 0.00 0.00 31.44 31.36 2iu8 n GLU 157 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2iu8 n HIS 158 N -0.54 0.00 -2.17 -1.84 8.25 -0.73 -1.13 115.22 117.06 2iu8 n HIS 158 Ca 0.10 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.22 2iu8 n HIS 158 Cb 0.39 -0.97 0.00 0.00 1.12 0.00 0.00 29.99 30.54 2iu8 n HIS 158 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2iu8 s SER 159 N -2.03 5.75 -0.29 0.41 0.01 -1.18 -4.14 113.70 112.23 2iu8 s SER 159 Ca 0.00 2.00 0.01 0.00 1.31 0.00 0.00 55.95 59.28 2iu8 s SER 159 Cb 0.00 -2.56 0.08 0.00 0.21 0.00 0.00 66.02 63.75 2iu8 s SER 159 CO 0.00 -1.19 0.02 -0.47 0.41 0.00 0.00 173.24 172.00 2iu8 s TYR 160 N -2.09 2.68 -0.29 2.43 5.04 0.12 -1.87 117.35 123.37 2iu8 s TYR 160 Ca 0.68 -2.16 -0.10 0.00 -2.44 0.00 0.00 57.07 53.05 2iu8 s TYR 160 Cb -0.20 -2.05 -0.03 0.00 0.35 0.00 0.00 41.96 40.03 2iu8 s TYR 160 CO 0.31 -0.86 0.17 0.42 -1.34 0.00 0.00 175.55 174.24 2iu8 s ILE 161 N 1.29 4.95 1.02 3.14 1.01 0.64 -2.14 121.20 131.11 2iu8 s ILE 161 Ca 0.03 -0.09 -0.16 0.00 0.00 0.00 0.00 60.65 60.43 2iu8 s ILE 161 Cb -0.19 -3.41 0.21 0.00 0.01 0.00 0.00 42.46 39.08 2iu8 s ILE 161 CO -0.12 0.19 1.20 -1.00 0.00 0.00 0.00 174.94 175.21 2iu8 s HIS 162 N 1.69 1.52 0.57 3.97 3.76 -0.79 0.03 115.29 126.05 2iu8 s HIS 162 Ca 0.06 0.53 -0.20 0.00 -0.15 0.00 0.00 55.06 55.30 2iu8 s HIS 162 Cb -0.16 -3.69 -0.05 0.00 1.11 0.00 0.00 32.58 29.79 2iu8 s HIS 162 CO 0.08 -2.95 1.12 -2.30 -0.85 0.00 0.00 174.74 169.84 2iu8 n PRO 163 N -4.08 1.19 -2.72 8.40 -0.02 -1.26 -3.75 135.00 132.76 2iu8 n PRO 163 Ca 0.12 0.45 -0.21 0.00 -2.02 0.00 0.00 63.50 61.84 2iu8 n PRO 163 Cb 0.59 -2.31 0.01 0.00 -0.02 0.00 0.00 33.50 31.78 2iu8 n PRO 163 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2iu8 n ARG 164 N -0.99 -3.23 -3.25 -0.52 5.12 -0.05 -3.53 116.66 110.20 2iu8 n ARG 164 Ca 0.13 0.91 -0.39 0.00 -1.93 0.00 0.00 57.85 56.57 2iu8 n ARG 164 Cb 0.46 -5.67 -0.06 0.00 -1.16 0.00 0.00 32.46 26.03 2iu8 n ARG 164 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2iu8 s VAL 165 N -3.07 4.86 -0.26 1.55 1.01 -1.25 -2.82 120.40 120.42 2iu8 s VAL 165 Ca 0.15 1.20 -0.05 0.00 0.00 0.00 0.00 61.98 63.28 2iu8 s VAL 165 Cb -0.07 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2iu8 s VAL 165 CO 0.19 0.48 0.02 -0.69 0.00 0.00 0.00 175.10 175.10 2iu8 s VAL 166 N -0.57 3.65 -0.36 2.92 1.01 -0.30 -1.10 120.40 125.64 2iu8 s VAL 166 Ca 0.30 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 2iu8 s VAL 166 Cb -0.19 -2.79 0.05 0.00 0.00 0.00 0.00 36.38 33.45 2iu8 s VAL 166 CO 0.17 0.24 0.15 -0.63 0.00 0.00 0.00 175.10 175.04 2iu8 s ILE 167 N 1.48 4.01 0.39 2.22 1.01 0.01 -1.37 121.20 128.94 2iu8 s ILE 167 Ca 0.04 -1.15 -0.07 0.00 0.00 0.00 0.00 60.65 59.48 2iu8 s ILE 167 Cb -0.16 -3.31 0.09 0.00 0.01 0.00 0.00 42.46 39.09 2iu8 s ILE 167 CO -0.00 -0.26 0.45 0.54 0.00 0.00 0.00 174.94 175.66 2iu8 n ARG 168 N 4.86 -0.95 -1.09 2.79 1.74 -0.64 0.00 116.66 123.37 2iu8 n ARG 168 Ca -0.12 -0.70 -0.33 0.00 -0.77 0.00 0.00 57.85 55.93 2iu8 n ARG 168 Cb 0.45 -0.53 0.13 0.00 -1.02 0.00 0.00 32.46 31.49 2iu8 n ARG 168 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2iu8 s GLU 169 N -3.99 1.59 -1.48 5.56 1.03 -1.26 -3.91 118.70 116.23 2iu8 s GLU 169 Ca 0.27 1.75 -0.06 0.00 0.03 0.00 0.00 54.97 56.96 2iu8 s GLU 169 Cb -0.01 -1.77 0.05 0.00 -0.80 0.00 0.00 34.13 31.59 2iu8 s GLU 169 CO 0.19 -2.25 0.58 0.54 -1.33 0.00 0.00 175.26 172.99 2iu8 n ARG 170 N -3.36 -3.59 -4.51 -4.83 1.74 -0.41 -4.87 116.66 96.84 2iu8 n ARG 170 Ca 0.13 0.43 -0.33 0.00 -0.77 0.00 0.00 57.85 57.31 2iu8 n ARG 170 Cb 0.51 -4.80 -0.14 0.00 -1.02 0.00 0.00 32.46 27.01 2iu8 n ARG 170 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2iu8 s VAL 171 N -3.72 3.37 -0.39 1.55 1.01 -1.26 -3.46 120.40 117.51 2iu8 s VAL 171 Ca 0.24 -0.54 -0.16 0.00 0.00 0.00 0.00 61.98 61.53 2iu8 s VAL 171 Cb -0.13 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.80 2iu8 s VAL 171 CO 0.89 0.50 0.36 -0.55 0.00 0.00 0.00 175.10 176.29 2iu8 s SER 172 N 0.55 6.15 -0.22 3.32 0.15 -0.71 -1.48 113.70 121.47 2iu8 s SER 172 Ca -0.06 -0.58 -0.08 0.00 0.70 0.00 0.00 55.95 55.94 2iu8 s SER 172 Cb -0.15 -2.19 -0.04 0.00 -1.71 0.00 0.00 66.02 61.93 2iu8 s SER 172 CO 0.03 -0.44 0.07 -0.63 1.20 0.00 0.00 173.24 173.48 2iu8 s ILE 173 N 1.94 4.63 0.00 6.45 -1.09 0.61 -0.20 121.20 133.54 2iu8 s ILE 173 Ca 0.09 -0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.44 2iu8 s ILE 173 Cb -0.17 -3.13 0.00 0.00 -1.58 0.00 0.00 42.46 37.58 2iu8 s ILE 173 CO 0.12 0.39 0.00 0.61 -1.23 0.00 0.00 174.94 174.83 2iu8 n GLY 174 N 4.21 -1.48 3.77 6.18 0.00 0.20 0.36 105.19 118.43 2iu8 n GLY 174 Ca -0.16 -1.61 -0.39 0.00 0.00 0.00 0.00 46.02 43.86 2iu8 n GLY 174 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iu8 s LYS 175 N -2.90 4.43 -1.78 1.61 1.02 -1.26 -2.63 119.74 118.23 2iu8 s LYS 175 Ca 0.00 1.81 -0.00 0.00 0.02 0.00 0.00 55.97 57.80 2iu8 s LYS 175 Cb 0.00 -2.98 0.00 0.00 -0.52 0.00 0.00 37.83 34.33 2iu8 s LYS 175 CO 0.00 0.02 0.03 0.54 -0.92 0.00 0.00 175.35 175.01 2iu8 n ARG 176 N 0.74 -1.84 -2.97 1.68 1.74 -0.28 -1.61 116.66 114.12 2iu8 n ARG 176 Ca 0.01 1.01 -0.38 0.00 -0.77 0.00 0.00 57.85 57.72 2iu8 n ARG 176 Cb 0.46 -5.69 -0.06 0.00 -1.02 0.00 0.00 32.46 26.15 2iu8 n ARG 176 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2iu8 s VAL 177 N -3.05 4.39 -0.18 1.55 1.01 -1.26 -4.05 120.40 118.81 2iu8 s VAL 177 Ca 0.01 1.60 0.01 0.00 0.00 0.00 0.00 61.98 63.60 2iu8 s VAL 177 Cb -0.01 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.37 2iu8 s VAL 177 CO 0.02 0.33 -0.20 -0.63 0.00 0.00 0.00 175.10 174.62 2iu8 s ILE 178 N -1.39 2.08 -0.19 2.22 1.01 -0.81 0.14 121.20 124.25 2iu8 s ILE 178 Ca 0.42 -0.93 -0.01 0.00 0.00 0.00 0.00 60.65 60.12 2iu8 s ILE 178 Cb -0.20 -1.87 0.00 0.00 0.01 0.00 0.00 42.46 40.40 2iu8 s ILE 178 CO 0.24 0.54 -0.12 -0.63 0.00 0.00 0.00 174.94 174.97 2iu8 s ILE 179 N 1.29 2.82 0.88 2.92 1.01 -0.91 -1.12 121.20 128.09 2iu8 s ILE 179 Ca 0.05 -0.69 -0.12 0.00 0.00 0.00 0.00 60.65 59.88 2iu8 s ILE 179 Cb -0.13 -2.24 0.12 0.00 0.01 0.00 0.00 42.46 40.22 2iu8 s ILE 179 CO -0.13 0.48 1.16 -1.10 0.00 0.00 0.00 174.94 175.35 2iu8 s GLN 180 N 1.26 1.38 0.34 2.79 -1.52 0.05 -1.88 119.66 122.09 2iu8 s GLN 180 Ca 0.03 0.19 -0.29 0.00 -1.95 0.00 0.00 55.36 53.35 2iu8 s GLN 180 Cb -0.14 -1.88 -0.11 0.00 -0.22 0.00 0.00 33.01 30.67 2iu8 s GLN 180 CO -0.06 -2.01 1.43 -2.14 -0.25 0.00 0.00 175.29 172.26 2iu8 s PRO 181 N -5.41 4.21 0.00 2.91 0.02 -1.26 -3.35 135.00 132.11 2iu8 s PRO 181 Ca 0.64 2.43 0.00 0.00 0.02 0.00 0.00 61.00 64.09 2iu8 s PRO 181 Cb -0.13 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.37 2iu8 s PRO 181 CO 0.52 -0.42 0.00 0.41 -0.33 0.00 0.00 177.00 177.18 2iu8 n GLY 182 N 0.88 0.76 3.77 0.52 0.00 -1.13 -1.83 105.19 108.16 2iu8 n GLY 182 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 2iu8 n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iu8 s ALA 183 N -2.73 2.80 -0.18 4.61 0.00 -1.21 -3.31 121.76 121.73 2iu8 s ALA 183 Ca 0.00 0.91 0.01 0.00 0.00 0.00 0.00 51.96 52.88 2iu8 s ALA 183 Cb 0.00 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.76 2iu8 s ALA 183 CO 0.00 -0.79 -0.14 0.08 0.00 0.00 0.00 175.76 174.91 2iu8 s VAL 184 N -1.64 1.75 -0.29 0.00 1.01 -0.28 -1.15 120.40 119.80 2iu8 s VAL 184 Ca 0.69 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 2iu8 s VAL 184 Cb -0.27 -1.71 0.04 0.00 0.00 0.00 0.00 36.38 34.44 2iu8 s VAL 184 CO 0.32 0.34 0.00 -0.63 0.00 0.00 0.00 175.10 175.13 2iu8 s ILE 185 N 1.38 3.13 0.00 2.22 -1.09 -0.47 -0.48 121.20 125.89 2iu8 s ILE 185 Ca 0.02 -1.22 0.00 0.00 -2.23 0.00 0.00 60.65 57.21 2iu8 s ILE 185 Cb -0.15 -2.74 0.00 0.00 -1.58 0.00 0.00 42.46 38.00 2iu8 s ILE 185 CO -0.10 -0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.19 2iu8 n GLY 186 N 4.67 1.88 3.75 6.18 0.00 0.11 -1.62 105.19 120.17 2iu8 n GLY 186 Ca -0.14 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 2iu8 n GLY 186 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2iu8 s SER 187 N -2.05 4.87 0.21 1.61 1.04 -1.17 -4.56 113.70 113.66 2iu8 s SER 187 Ca 0.00 2.26 -0.30 0.00 0.48 0.00 0.00 55.95 58.39 2iu8 s SER 187 Cb 0.00 -2.58 -0.09 0.00 0.10 0.00 0.00 66.02 63.44 2iu8 s SER 187 CO 0.00 -1.80 1.40 0.00 0.98 0.00 0.00 173.24 173.82 2iu8 s GLY 189 N 0.50 2.14 -1.44 0.00 0.00 -1.23 -4.80 107.32 102.49 2iu8 s GLY 189 Ca 0.60 0.70 -0.12 0.00 0.00 0.00 0.00 44.72 45.89 2iu8 s GLY 189 CO 0.39 1.08 2.25 0.33 0.00 0.00 0.00 173.10 177.15 2iu8 n PHE 190 N -2.94 3.24 -4.07 1.90 7.35 -1.26 -4.88 117.46 116.80 2iu8 n PHE 190 Ca 0.12 -2.95 -0.16 0.00 -0.76 0.00 0.00 57.45 53.70 2iu8 n PHE 190 Cb 0.51 -2.39 -0.15 0.00 0.35 0.00 0.00 39.48 37.80 2iu8 n PHE 190 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 2iu8 s GLY 191 N 2.47 0.25 0.10 7.13 0.00 -1.26 -5.09 107.32 110.93 2iu8 s GLY 191 Ca 0.48 -0.08 -0.03 0.00 0.00 0.00 0.00 44.72 45.10 2iu8 s GLY 191 CO -0.07 0.10 0.06 -0.19 0.00 0.00 0.00 173.10 173.01 2iu8 s TYR 192 N 0.30 0.64 -0.11 1.90 1.51 -1.26 -3.90 117.35 116.43 2iu8 s TYR 192 Ca -0.03 -1.08 -0.05 0.00 -1.01 0.00 0.00 57.07 54.90 2iu8 s TYR 192 Cb -0.06 -0.37 -0.04 0.00 -0.11 0.00 0.00 41.96 41.38 2iu8 s TYR 192 CO -0.00 -0.50 0.08 0.14 -1.11 0.00 0.00 175.55 174.16 2iu8 s VAL 193 N -3.98 5.00 -0.06 0.71 -7.23 0.11 -4.89 120.40 110.06 2iu8 s VAL 193 Ca 0.16 0.02 -0.12 0.00 -1.81 0.00 0.00 61.98 60.23 2iu8 s VAL 193 Cb 0.07 -3.15 -0.05 0.00 0.56 0.00 0.00 36.38 33.80 2iu8 s VAL 193 CO -0.03 0.61 0.32 -0.89 -0.31 0.00 0.00 175.10 174.79 2iu8 s THR 194 N -0.93 5.21 0.09 5.32 2.01 -1.26 0.37 115.64 126.45 2iu8 s THR 194 Ca 0.14 0.62 -0.17 0.00 0.31 0.00 0.00 61.69 62.59 2iu8 s THR 194 Cb -0.12 -3.61 0.04 0.00 0.01 0.00 0.00 72.50 68.82 2iu8 s THR 194 CO 0.03 0.56 0.41 -0.55 -0.69 0.00 0.00 174.62 174.38 2iu8 s SER 195 N -0.84 -0.25 -1.41 3.53 0.15 0.07 -4.95 113.70 110.00 2iu8 s SER 195 Ca 0.20 -0.20 -0.07 0.00 0.70 0.00 0.00 55.95 56.59 2iu8 s SER 195 Cb -0.15 0.46 0.01 0.00 -1.71 0.00 0.00 66.02 64.62 2iu8 s SER 195 CO 0.09 -0.78 0.34 0.00 1.20 0.00 0.00 173.24 174.09 2iu8 n ALA 196 N 0.05 -2.14 -3.34 5.45 0.00 -1.26 0.09 120.51 119.35 2iu8 n ALA 196 Ca -0.17 -0.36 -0.17 0.00 0.00 0.00 0.00 53.44 52.74 2iu8 n ALA 196 Cb 0.62 -1.64 0.07 0.00 0.00 0.00 0.00 19.45 18.50 2iu8 n ALA 196 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2iu8 n PHE 197 N -4.54 -2.35 -0.02 0.00 3.01 -1.26 -4.00 117.46 108.30 2iu8 n PHE 197 Ca -0.27 0.83 0.00 0.00 1.01 0.00 0.00 57.45 59.02 2iu8 n PHE 197 Cb 0.67 -4.22 0.00 0.00 -0.01 0.00 0.00 39.48 35.91 2iu8 n PHE 197 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2iu8 n GLY 198 N -1.27 0.74 3.80 1.37 0.00 -1.03 -5.08 105.19 103.70 2iu8 n GLY 198 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 2iu8 n GLY 198 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2iu8 s GLN 199 N -0.98 4.44 -0.25 1.61 -0.21 0.11 -4.82 119.66 119.57 2iu8 s GLN 199 Ca 0.00 1.23 -0.04 0.00 0.02 0.00 0.00 55.36 56.57 2iu8 s GLN 199 Cb 0.00 -2.58 0.01 0.00 1.00 0.00 0.00 33.01 31.43 2iu8 s GLN 199 CO 0.00 0.17 -0.02 -1.01 -2.12 0.00 0.00 175.29 172.32 2iu8 s HIS 200 N -1.81 3.04 -0.20 0.91 3.76 -1.26 -0.75 115.29 118.97 2iu8 s HIS 200 Ca 0.54 -1.13 -0.12 0.00 -0.15 0.00 0.00 55.06 54.20 2iu8 s HIS 200 Cb -0.15 -2.13 -0.05 0.00 1.11 0.00 0.00 32.58 31.36 2iu8 s HIS 200 CO 0.20 -0.61 0.22 0.15 -0.85 0.00 0.00 174.74 173.85 2iu8 s LYS 201 N 1.44 4.17 0.25 1.40 -0.14 0.16 -4.91 119.74 122.11 2iu8 s LYS 201 Ca 0.03 -0.08 -0.31 0.00 -1.36 0.00 0.00 55.97 54.25 2iu8 s LYS 201 Cb -0.16 -3.47 -0.13 0.00 -1.68 0.00 0.00 37.83 32.39 2iu8 s LYS 201 CO -0.02 0.16 1.52 1.58 -0.76 0.00 0.00 175.35 177.83 2iu8 n HIS 202 N 3.89 2.47 -4.80 3.18 -0.00 -1.26 -0.71 115.22 117.99 2iu8 n HIS 202 Ca -0.13 0.32 -0.33 0.00 -0.00 0.00 0.00 57.72 57.58 2iu8 n HIS 202 Cb 0.52 -2.53 -0.14 0.00 -0.00 0.00 0.00 29.99 27.83 2iu8 n HIS 202 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2iu8 s LEU 203 N 0.06 2.74 0.19 0.27 1.43 -1.25 -4.83 118.68 117.29 2iu8 s LEU 203 Ca 0.68 -0.29 -0.30 0.00 -1.03 0.00 0.00 54.13 53.19 2iu8 s LEU 203 Cb -0.59 -1.60 -0.09 0.00 0.03 0.00 0.00 46.19 43.94 2iu8 s LEU 203 CO 0.47 0.21 1.36 -0.54 0.23 0.00 0.00 176.35 178.08 2iu8 s LYS 204 N 0.07 4.35 -0.28 1.70 1.02 -1.26 -4.96 119.74 120.38 2iu8 s LYS 204 Ca -0.05 2.11 -0.09 0.00 0.02 0.00 0.00 55.97 57.96 2iu8 s LYS 204 Cb -0.15 -3.19 -0.02 0.00 -0.52 0.00 0.00 37.83 33.95 2iu8 s LYS 204 CO 0.04 -0.33 0.11 -1.01 -0.92 0.00 0.00 175.35 173.24 2iu8 s HIS 205 N 0.35 3.14 -0.52 3.18 3.76 -1.26 -4.90 115.29 119.03 2iu8 s HIS 205 Ca 0.59 -0.44 0.05 0.00 -0.15 0.00 0.00 55.06 55.11 2iu8 s HIS 205 Cb -0.38 -2.30 0.11 0.00 1.11 0.00 0.00 32.58 31.13 2iu8 s HIS 205 CO 0.37 -0.38 0.97 1.28 -0.85 0.00 0.00 174.74 176.13 2iu8 n LEU 206 N 4.96 2.11 -4.74 0.89 4.77 0.87 -4.92 117.00 120.93 2iu8 n LEU 206 Ca -0.15 -1.66 -0.30 0.00 -0.03 0.00 0.00 56.01 53.87 2iu8 n LEU 206 Cb 0.50 -0.07 0.13 0.00 -2.33 0.00 0.00 43.42 41.65 2iu8 n LEU 206 CO 0.32 0.51 0.68 -0.83 -1.33 0.00 0.00 177.39 176.74 2iu8 s GLY 207 N -0.81 1.62 0.78 -0.72 0.00 0.21 -4.79 107.32 103.62 2iu8 s GLY 207 Ca 0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 44.72 44.69 2iu8 s GLY 207 CO 0.07 0.38 1.07 0.54 0.00 0.00 0.00 173.10 175.17 2iu8 s LYS 208 N -4.98 1.38 -0.09 2.90 1.02 -1.26 -4.49 119.74 114.22 2iu8 s LYS 208 Ca 0.63 -1.06 0.04 0.00 0.02 0.00 0.00 55.97 55.60 2iu8 s LYS 208 Cb -0.17 -2.23 0.00 0.00 -0.52 0.00 0.00 37.83 34.90 2iu8 s LYS 208 CO 0.56 -1.71 -0.22 0.08 -0.92 0.00 0.00 175.35 173.15 2iu8 s VAL 209 N -3.31 1.87 -0.23 3.17 1.01 -1.22 -2.47 120.40 119.22 2iu8 s VAL 209 Ca 0.69 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 2iu8 s VAL 209 Cb -0.04 -1.62 -0.00 0.00 0.00 0.00 0.00 36.38 34.71 2iu8 s VAL 209 CO 0.46 0.52 -0.04 -0.63 0.00 0.00 0.00 175.10 175.41 2iu8 s ILE 210 N 0.31 3.32 -0.34 2.22 1.01 0.67 -1.73 121.20 126.65 2iu8 s ILE 210 Ca -0.15 -0.59 -0.03 0.00 0.00 0.00 0.00 60.65 59.88 2iu8 s ILE 210 Cb -0.17 -2.54 0.07 0.00 0.01 0.00 0.00 42.46 39.82 2iu8 s ILE 210 CO 0.07 0.37 0.07 -0.63 0.00 0.00 0.00 174.94 174.82 2iu8 s ILE 211 N 1.46 3.16 0.89 2.92 -1.09 0.72 -0.24 121.20 129.01 2iu8 s ILE 211 Ca 0.05 -1.55 -0.15 0.00 -2.23 0.00 0.00 60.65 56.77 2iu8 s ILE 211 Cb -0.15 -2.92 0.21 0.00 -1.58 0.00 0.00 42.46 38.02 2iu8 s ILE 211 CO -0.03 -0.28 1.02 -0.62 -1.23 0.00 0.00 174.94 173.79 2iu8 n GLU 212 N 4.63 -1.74 -2.06 2.79 1.02 -0.11 0.62 120.64 125.79 2iu8 n GLU 212 Ca -0.10 -1.59 -0.40 0.00 -0.02 0.00 0.00 57.16 55.05 2iu8 n GLU 212 Cb 0.43 -1.22 -0.01 0.00 -0.02 0.00 0.00 31.44 30.62 2iu8 n GLU 212 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2iu8 s ASP 213 N -4.58 6.47 -1.24 1.62 1.01 -1.26 -3.29 116.67 115.40 2iu8 s ASP 213 Ca 0.61 2.69 0.00 0.00 0.71 0.00 0.00 52.55 56.55 2iu8 s ASP 213 Cb -0.03 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.25 2iu8 s ASP 213 CO 0.44 -0.74 0.00 0.47 0.21 0.00 0.00 175.17 175.55 2iu8 n ASP 214 N 0.38 -4.37 -4.82 0.27 8.00 -0.63 -1.63 116.55 113.75 2iu8 n ASP 214 Ca 0.02 0.26 -0.37 0.00 0.71 0.00 0.00 54.79 55.42 2iu8 n ASP 214 Cb 0.43 -2.99 -0.06 0.00 -0.02 0.00 0.00 41.12 38.48 2iu8 n ASP 214 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2iu8 s VAL 215 N -2.46 4.66 0.02 2.53 1.01 -1.21 -3.61 120.40 121.34 2iu8 s VAL 215 Ca 0.00 1.19 0.07 0.00 0.00 0.00 0.00 61.98 63.24 2iu8 s VAL 215 Cb 0.00 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 2iu8 s VAL 215 CO 0.00 0.31 -0.21 -1.61 0.00 0.00 0.00 175.10 173.59 2iu8 s GLU 216 N -1.73 1.52 -0.04 2.72 2.02 -0.63 -1.93 118.70 120.63 2iu8 s GLU 216 Ca 0.38 -0.87 0.03 0.00 0.02 0.00 0.00 54.97 54.53 2iu8 s GLU 216 Cb -0.17 -1.58 0.01 0.00 0.10 0.00 0.00 34.13 32.49 2iu8 s GLU 216 CO 0.21 0.41 -0.11 0.42 0.02 0.00 0.00 175.26 176.21 2iu8 s ILE 217 N -0.68 0.95 0.43 -1.63 1.01 -0.27 -1.06 121.20 119.95 2iu8 s ILE 217 Ca 0.08 -0.43 -0.05 0.00 0.00 0.00 0.00 60.65 60.25 2iu8 s ILE 217 Cb -0.09 -0.85 0.09 0.00 0.01 0.00 0.00 42.46 41.63 2iu8 s ILE 217 CO 0.01 0.30 0.58 0.61 0.00 0.00 0.00 174.94 176.44 2iu8 n GLY 218 N 3.41 -0.59 3.75 6.18 0.00 0.12 -0.77 105.19 117.29 2iu8 n GLY 218 Ca -0.20 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 2iu8 n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iu8 s ALA 219 N -3.62 3.45 -0.30 4.61 0.00 -1.26 -3.24 121.76 121.40 2iu8 s ALA 219 Ca 0.35 1.00 0.00 0.00 0.00 0.00 0.00 51.96 53.31 2iu8 s ALA 219 Cb -0.01 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2iu8 s ALA 219 CO 0.24 -0.37 0.00 0.09 0.00 0.00 0.00 175.76 175.72 2iu8 n ASN 220 N 1.90 -5.16 -4.75 0.00 3.02 -0.76 -0.85 115.26 108.66 2iu8 n ASN 220 Ca 0.02 0.07 -0.41 0.00 -0.03 0.00 0.00 54.58 54.23 2iu8 n ASN 220 Cb 0.44 -3.29 -0.03 0.00 -0.61 0.00 0.00 39.78 36.29 2iu8 n ASN 220 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2iu8 s THR 221 N -1.12 3.28 -0.09 3.41 2.01 -1.20 -4.35 115.64 117.57 2iu8 s THR 221 Ca 0.00 1.19 0.03 0.00 0.31 0.00 0.00 61.69 63.23 2iu8 s THR 221 Cb 0.00 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 68.74 2iu8 s THR 221 CO 0.00 0.25 -0.19 0.42 -0.69 0.00 0.00 174.62 174.41 2iu8 s THR 222 N -0.70 2.60 -0.22 -0.82 -4.23 -0.49 -1.13 115.64 110.64 2iu8 s THR 222 Ca 0.49 -0.85 0.01 0.00 -1.18 0.00 0.00 61.69 60.16 2iu8 s THR 222 Cb -0.35 -2.02 0.05 0.00 1.34 0.00 0.00 72.50 71.52 2iu8 s THR 222 CO 0.42 0.56 -0.07 -0.63 -0.54 0.00 0.00 174.62 174.36 2iu8 s ILE 223 N -0.02 1.56 0.33 2.99 1.01 0.37 -1.50 121.20 125.93 2iu8 s ILE 223 Ca -0.06 -1.12 -0.26 0.00 0.00 0.00 0.00 60.65 59.21 2iu8 s ILE 223 Cb -0.15 -1.75 -0.10 0.00 0.01 0.00 0.00 42.46 40.48 2iu8 s ILE 223 CO 0.05 0.01 0.99 -1.81 0.00 0.00 0.00 174.94 174.17 2iu8 s ASP 224 N 1.40 7.23 0.56 3.58 1.01 -0.24 0.10 116.67 130.31 2iu8 s ASP 224 Ca -0.04 1.94 -0.13 0.00 0.71 0.00 0.00 52.55 55.03 2iu8 s ASP 224 Cb -0.18 -2.59 -0.06 0.00 1.01 0.00 0.00 42.92 41.11 2iu8 s ASP 224 CO -0.07 -0.15 0.99 0.00 0.21 0.00 0.00 175.17 176.15 2iu8 s ARG 225 N -2.00 3.76 0.79 8.23 1.70 0.43 -4.26 118.95 127.60 2iu8 s ARG 225 Ca 0.50 0.81 -0.11 0.00 -0.47 0.00 0.00 55.73 56.46 2iu8 s ARG 225 Cb -0.22 -2.13 0.07 0.00 -0.57 0.00 0.00 34.95 32.10 2iu8 s ARG 225 CO 0.27 -0.40 1.09 0.20 -1.08 0.00 0.00 175.30 175.38 2iu8 s GLY 226 N -3.64 1.64 0.17 3.88 0.00 -1.12 -3.54 107.32 104.71 2iu8 s GLY 226 Ca 0.56 0.01 -0.12 0.00 0.00 0.00 0.00 44.72 45.17 2iu8 s GLY 226 CO 0.43 0.40 1.70 -0.09 0.00 0.00 0.00 173.10 175.54 2iu8 h ARG 227 N -1.13 0.88 0.00 2.90 2.43 -1.91 0.64 114.38 118.18 2iu8 h ARG 227 Ca -0.46 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.53 2iu8 h ARG 227 Cb 1.25 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 2iu8 h ARG 227 CO 0.56 0.79 0.00 1.97 -1.51 0.00 0.00 179.97 181.77 2iu8 n PHE 228 N -4.44 0.00 -3.83 2.20 -1.74 -1.26 -0.09 117.46 108.29 2iu8 n PHE 228 Ca 0.03 0.00 -0.21 0.00 -0.56 0.00 0.00 57.45 56.71 2iu8 n PHE 228 Cb 0.20 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.16 2iu8 n PHE 228 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 2iu8 s LYS 229 N 0.00 2.71 0.11 3.97 -0.14 -1.26 -4.50 119.74 120.63 2iu8 s LYS 229 Ca 0.00 -1.30 -0.11 0.00 -1.36 0.00 0.00 55.97 53.19 2iu8 s LYS 229 Cb 0.00 -2.46 -0.06 0.00 -1.68 0.00 0.00 37.83 33.62 2iu8 s LYS 229 CO 0.00 0.10 0.46 -1.01 -0.76 0.00 0.00 175.35 174.14 2iu8 s HIS 230 N -2.31 3.59 0.16 3.18 3.76 -1.26 -2.79 115.29 119.62 2iu8 s HIS 230 Ca 0.41 0.89 -0.30 0.00 -0.15 0.00 0.00 55.06 55.91 2iu8 s HIS 230 Cb -0.06 -2.24 -0.07 0.00 1.11 0.00 0.00 32.58 31.32 2iu8 s HIS 230 CO 0.26 0.48 1.02 -1.12 -0.85 0.00 0.00 174.74 174.53 2iu8 s SER 231 N -1.76 7.41 0.01 1.40 0.01 -1.03 -4.49 113.70 115.24 2iu8 s SER 231 Ca 0.35 1.94 0.06 0.00 1.31 0.00 0.00 55.95 59.61 2iu8 s SER 231 Cb -0.14 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.47 2iu8 s SER 231 CO 0.19 -0.11 -0.18 -0.69 0.41 0.00 0.00 173.24 172.86 2iu8 s VAL 232 N -0.25 1.42 -0.25 3.43 1.01 -0.41 -0.24 120.40 125.11 2iu8 s VAL 232 Ca 0.47 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 2iu8 s VAL 232 Cb -0.26 -1.21 0.07 0.00 0.00 0.00 0.00 36.38 34.98 2iu8 s VAL 232 CO 0.32 0.29 0.01 -0.69 0.00 0.00 0.00 175.10 175.03 2iu8 s VAL 233 N -0.57 1.23 0.85 2.92 1.01 0.66 -1.19 120.40 125.30 2iu8 s VAL 233 Ca 0.06 -1.22 -0.12 0.00 0.00 0.00 0.00 61.98 60.70 2iu8 s VAL 233 Cb -0.07 -1.68 0.10 0.00 0.00 0.00 0.00 36.38 34.72 2iu8 s VAL 233 CO 0.00 -0.30 1.11 -0.13 0.00 0.00 0.00 175.10 175.78 2iu8 s ARG 234 N 1.50 1.66 0.02 2.72 0.52 -0.06 -0.94 118.95 124.38 2iu8 s ARG 234 Ca 0.00 0.54 -0.39 0.00 -0.52 0.00 0.00 55.73 55.37 2iu8 s ARG 234 Cb -0.18 -1.88 -0.19 0.00 0.52 0.00 0.00 34.95 33.22 2iu8 s ARG 234 CO -0.11 -1.89 1.10 0.39 0.02 0.00 0.00 175.30 174.81 2iu8 n GLU 235 N -3.60 0.22 -0.55 3.54 1.02 -1.26 -2.62 120.64 117.39 2iu8 n GLU 235 Ca 0.07 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 2iu8 n GLU 235 Cb 0.57 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 2iu8 n GLU 235 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2iu8 n GLY 236 N 1.70 1.28 3.77 0.62 0.00 -0.65 -0.36 105.19 111.56 2iu8 n GLY 236 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 2iu8 n GLY 236 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2iu8 s SER 237 N -3.01 6.28 -0.03 1.61 0.01 -1.08 -4.27 113.70 113.21 2iu8 s SER 237 Ca 0.00 2.36 0.06 0.00 1.31 0.00 0.00 55.95 59.67 2iu8 s SER 237 Cb 0.00 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.61 2iu8 s SER 237 CO 0.00 -0.85 -0.19 -0.54 0.41 0.00 0.00 173.24 172.07 2iu8 s LYS 238 N -2.53 1.72 -0.05 12.44 -0.14 -0.62 -1.60 119.74 128.97 2iu8 s LYS 238 Ca 0.61 -0.70 0.00 0.00 -1.36 0.00 0.00 55.97 54.53 2iu8 s LYS 238 Cb -0.30 -1.60 0.02 0.00 -1.68 0.00 0.00 37.83 34.27 2iu8 s LYS 238 CO 0.37 0.37 -0.02 0.42 -0.76 0.00 0.00 175.35 175.74 2iu8 s ILE 239 N -0.31 0.42 0.00 2.17 1.01 -0.22 -2.10 121.20 122.17 2iu8 s ILE 239 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.68 2iu8 s ILE 239 Cb -0.09 -0.50 0.00 0.00 0.01 0.00 0.00 42.46 41.88 2iu8 s ILE 239 CO 0.00 0.22 0.00 -0.67 0.00 0.00 0.00 174.94 174.49 2iu8 n ASP 240 N 4.42 0.00 -4.78 3.58 -0.08 -0.06 0.11 116.55 119.74 2iu8 n ASP 240 Ca -0.19 -0.66 -0.36 0.00 -1.51 0.00 0.00 54.79 52.06 2iu8 n ASP 240 Cb 0.50 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.94 2iu8 n ASP 240 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 2iu8 s ASN 241 N -1.00 6.44 -0.90 1.67 0.01 -1.26 -3.36 114.94 116.54 2iu8 s ASN 241 Ca 0.00 2.09 -0.05 0.00 -0.71 0.00 0.00 52.86 54.19 2iu8 s ASN 241 Cb 0.00 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.08 2iu8 s ASN 241 CO 0.00 -0.72 0.71 0.18 -1.51 0.00 0.00 177.10 175.76 2iu8 n LEU 242 N -0.46 -2.81 -4.71 0.60 4.32 -0.03 -2.01 117.00 111.89 2iu8 n LEU 242 Ca 0.07 -0.32 -0.35 0.00 -0.02 0.00 0.00 56.01 55.38 2iu8 n LEU 242 Cb 0.50 -2.14 -0.09 0.00 -1.62 0.00 0.00 43.42 40.08 2iu8 n LEU 242 CO 0.44 0.38 -0.27 -0.69 -1.22 0.00 0.00 177.39 176.04 2iu8 s VAL 243 N -3.17 4.66 -0.23 4.08 1.01 -1.26 -2.82 120.40 122.68 2iu8 s VAL 243 Ca 0.35 -0.11 -0.16 0.00 0.00 0.00 0.00 61.98 62.06 2iu8 s VAL 243 Cb -0.15 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 2iu8 s VAL 243 CO 0.43 0.58 0.40 -1.58 0.00 0.00 0.00 175.10 174.94 2iu8 s GLN 244 N -0.66 4.12 -0.19 2.72 2.00 -1.14 -1.40 119.66 125.11 2iu8 s GLN 244 Ca 0.11 0.17 -0.01 0.00 -2.00 0.00 0.00 55.36 53.63 2iu8 s GLN 244 Cb -0.12 -3.58 0.01 0.00 0.80 0.00 0.00 33.01 30.12 2iu8 s GLN 244 CO 0.02 -0.14 -0.14 0.42 -0.50 0.00 0.00 175.29 174.96 2iu8 s ILE 245 N 1.62 2.60 0.30 -2.34 -1.09 -0.56 -1.04 121.20 120.69 2iu8 s ILE 245 Ca 0.18 -0.76 -0.02 0.00 -2.23 0.00 0.00 60.65 57.82 2iu8 s ILE 245 Cb -0.15 -2.13 0.06 0.00 -1.58 0.00 0.00 42.46 38.66 2iu8 s ILE 245 CO 0.09 0.50 0.41 0.00 -1.23 0.00 0.00 174.94 174.70 2iu8 n ALA 246 N 4.58 -0.09 -2.29 9.38 0.00 -0.39 -1.08 120.51 130.62 2iu8 n ALA 246 Ca -0.20 -0.72 -0.42 0.00 0.00 0.00 0.00 53.44 52.10 2iu8 n ALA 246 Cb 0.51 0.08 -0.03 0.00 0.00 0.00 0.00 19.45 20.01 2iu8 n ALA 246 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2iu8 s HIS 247 N -1.29 2.73 0.00 0.00 -3.43 -1.26 -2.71 115.29 109.33 2iu8 s HIS 247 Ca 0.26 0.83 0.00 0.00 -0.80 0.00 0.00 55.06 55.35 2iu8 s HIS 247 Cb -0.01 -3.62 0.00 0.00 -1.43 0.00 0.00 32.58 27.52 2iu8 s HIS 247 CO 0.17 -2.27 0.00 0.94 -2.00 0.00 0.00 174.74 171.59 2iu8 n GLN 248 N 6.15 0.00 -2.39 -0.38 7.27 -1.26 -1.57 117.38 125.20 2iu8 n GLN 248 Ca 0.14 0.35 -0.41 0.00 0.07 0.00 0.00 57.00 57.14 2iu8 n GLN 248 Cb 0.44 -3.19 -0.03 0.00 2.41 0.00 0.00 30.24 29.87 2iu8 n GLN 248 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2iu8 s VAL 249 N -2.00 3.73 -0.16 1.69 1.01 -1.10 -3.82 120.40 119.75 2iu8 s VAL 249 Ca 0.00 1.37 -0.04 0.00 0.00 0.00 0.00 61.98 63.30 2iu8 s VAL 249 Cb 0.00 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 2iu8 s VAL 249 CO 0.00 0.18 -0.02 -0.70 0.00 0.00 0.00 175.10 174.55 2iu8 s GLU 250 N 0.27 3.70 -0.18 2.72 2.56 -0.60 -1.29 118.70 125.87 2iu8 s GLU 250 Ca 0.55 -0.50 0.01 0.00 0.00 0.00 0.00 54.97 55.03 2iu8 s GLU 250 Cb -0.32 -2.96 0.03 0.00 2.00 0.00 0.00 34.13 32.88 2iu8 s GLU 250 CO 0.34 0.22 -0.13 0.08 -0.56 0.00 0.00 175.26 175.20 2iu8 s VAL 251 N 0.44 1.73 0.00 3.70 1.01 -0.34 -0.04 120.40 126.90 2iu8 s VAL 251 Ca -0.03 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.02 2iu8 s VAL 251 Cb -0.14 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.53 2iu8 s VAL 251 CO 0.03 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.04 2iu8 n GLY 252 N 4.68 -2.49 3.80 4.51 0.00 0.18 -0.88 105.19 114.99 2iu8 n GLY 252 Ca -0.16 -1.42 -0.35 0.00 0.00 0.00 0.00 46.02 44.08 2iu8 n GLY 252 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2iu8 s GLN 253 N -2.54 4.37 -1.46 1.61 -0.21 -1.26 -3.83 119.66 116.34 2iu8 s GLN 253 Ca 0.00 1.14 -0.13 0.00 0.02 0.00 0.00 55.36 56.39 2iu8 s GLN 253 Cb 0.00 -2.57 0.10 0.00 1.00 0.00 0.00 33.01 31.54 2iu8 s GLN 253 CO 0.00 0.18 0.68 0.72 -2.12 0.00 0.00 175.29 174.75 2iu8 n HIS 254 N 0.09 -1.89 -2.91 0.91 8.25 0.52 -1.42 115.22 118.78 2iu8 n HIS 254 Ca 0.03 0.66 -0.21 0.00 -0.26 0.00 0.00 57.72 57.94 2iu8 n HIS 254 Cb 0.52 -3.17 0.02 0.00 1.12 0.00 0.00 29.99 28.48 2iu8 n HIS 254 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2iu8 s SER 255 N -3.00 5.61 -0.02 0.41 0.01 -1.25 -3.44 113.70 112.01 2iu8 s SER 255 Ca 0.56 0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.85 2iu8 s SER 255 Cb -0.29 -1.14 0.03 0.00 0.21 0.00 0.00 66.02 64.82 2iu8 s SER 255 CO 0.69 -0.85 0.02 -0.04 0.41 0.00 0.00 173.24 173.46 2iu8 s MET 256 N -4.57 0.01 -0.10 12.44 -1.94 0.62 -1.58 119.30 124.17 2iu8 s MET 256 Ca 0.52 0.15 -0.01 0.00 -1.71 0.00 0.00 55.69 54.65 2iu8 s MET 256 Cb -0.10 -0.25 0.02 0.00 2.01 0.00 0.00 34.83 36.52 2iu8 s MET 256 CO 0.37 -0.14 -0.05 0.42 -0.01 0.00 0.00 175.02 175.60 2iu8 s ILE 257 N 0.93 0.83 0.41 2.53 1.01 -0.89 -1.36 121.20 124.65 2iu8 s ILE 257 Ca -0.08 -0.17 -0.03 0.00 0.00 0.00 0.00 60.65 60.37 2iu8 s ILE 257 Cb -0.11 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 2iu8 s ILE 257 CO -0.02 0.33 0.67 -0.69 0.00 0.00 0.00 174.94 175.22 2iu8 s VAL 258 N 1.70 5.00 0.15 2.92 1.01 -0.33 -0.88 120.40 129.98 2iu8 s VAL 258 Ca 0.03 -0.10 -0.33 0.00 0.00 0.00 0.00 61.98 61.59 2iu8 s VAL 258 Cb -0.13 -3.86 -0.17 0.00 0.00 0.00 0.00 36.38 32.23 2iu8 s VAL 258 CO -0.06 -0.69 0.91 0.00 0.00 0.00 0.00 175.10 175.26 2iu8 n ALA 259 N -1.97 -2.19 -0.42 5.51 0.00 -1.26 -2.31 120.51 117.87 2iu8 n ALA 259 Ca -0.02 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.91 2iu8 n ALA 259 Cb 0.55 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.19 2iu8 n ALA 259 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2iu8 n GLN 260 N 1.36 0.00 -0.82 0.00 6.02 -0.85 -1.65 117.38 121.44 2iu8 n GLN 260 Ca 0.17 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.84 2iu8 n GLN 260 Cb 0.21 -2.94 0.15 0.00 1.02 0.00 0.00 30.24 28.68 2iu8 n GLN 260 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2iu8 n ALA 261 N 0.72 -0.78 -2.88 -1.58 0.00 -0.98 -4.01 120.51 111.00 2iu8 n ALA 261 Ca 0.00 -0.49 -0.12 0.00 0.00 0.00 0.00 53.44 52.83 2iu8 n ALA 261 Cb 0.00 -2.17 -0.13 0.00 0.00 0.00 0.00 19.45 17.15 2iu8 n ALA 261 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2iu8 s GLY 262 N -2.40 0.15 -0.11 0.00 0.00 -0.63 -2.89 107.32 101.45 2iu8 s GLY 262 Ca 0.68 -0.26 0.02 0.00 0.00 0.00 0.00 44.72 45.16 2iu8 s GLY 262 CO 0.57 -0.28 -0.18 -0.42 0.00 0.00 0.00 173.10 172.79 2iu8 s ILE 263 N -0.53 1.65 0.84 0.90 1.09 -0.20 -1.25 121.20 123.70 2iu8 s ILE 263 Ca -0.05 -0.75 -0.13 0.00 -1.10 0.00 0.00 60.65 58.63 2iu8 s ILE 263 Cb -0.04 -1.48 0.11 0.00 -1.06 0.00 0.00 42.46 39.99 2iu8 s ILE 263 CO -0.00 0.47 1.21 0.00 -0.10 0.00 0.00 174.94 176.52 2iu8 s ALA 264 N 0.80 2.58 0.41 9.38 0.00 -0.15 -1.26 121.76 133.52 2iu8 s ALA 264 Ca -0.10 -0.83 -0.27 0.00 0.00 0.00 0.00 51.96 50.77 2iu8 s ALA 264 Cb -0.16 -2.88 -0.09 0.00 0.00 0.00 0.00 23.12 19.99 2iu8 s ALA 264 CO 0.01 -1.86 1.40 0.20 0.00 0.00 0.00 175.76 175.50 2iu8 s GLY 265 N -4.66 2.94 -0.50 0.00 0.00 -1.26 -3.60 107.32 100.23 2iu8 s GLY 265 Ca 0.65 1.41 0.00 0.00 0.00 0.00 0.00 44.72 46.78 2iu8 s GLY 265 CO 0.50 2.04 0.00 1.44 0.00 0.00 0.00 173.10 177.08 2iu8 n SER 266 N 0.18 -3.00 -4.82 1.64 7.64 -0.61 -1.95 113.62 112.70 2iu8 n SER 266 Ca 0.03 0.07 -0.35 0.00 1.01 0.00 0.00 58.87 59.63 2iu8 n SER 266 Cb 0.42 -1.59 -0.07 0.00 -1.01 0.00 0.00 64.21 61.96 2iu8 n SER 266 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2iu8 s THR 267 N -2.22 5.05 -0.12 0.44 2.01 -1.24 -3.42 115.64 116.14 2iu8 s THR 267 Ca 0.00 -0.07 -0.03 0.00 0.31 0.00 0.00 61.69 61.90 2iu8 s THR 267 Cb 0.00 -3.23 -0.03 0.00 0.01 0.00 0.00 72.50 69.25 2iu8 s THR 267 CO 0.00 0.52 -0.01 -0.54 -0.69 0.00 0.00 174.62 173.90 2iu8 s LYS 268 N -1.25 3.32 -0.13 4.92 3.01 -0.73 -1.56 119.74 127.31 2iu8 s LYS 268 Ca 0.18 -0.46 0.03 0.00 -1.01 0.00 0.00 55.97 54.71 2iu8 s LYS 268 Cb -0.12 -2.86 0.01 0.00 -1.01 0.00 0.00 37.83 33.85 2iu8 s LYS 268 CO 0.07 0.49 -0.22 0.42 0.51 0.00 0.00 175.35 176.62 2iu8 s ILE 269 N -0.29 2.12 0.10 2.17 1.09 0.94 -1.18 121.20 126.16 2iu8 s ILE 269 Ca 0.06 -0.97 -0.02 0.00 -1.10 0.00 0.00 60.65 58.62 2iu8 s ILE 269 Cb -0.12 -1.84 0.02 0.00 -1.06 0.00 0.00 42.46 39.46 2iu8 s ILE 269 CO 0.02 0.55 0.08 0.61 -0.10 0.00 0.00 174.94 176.10 2iu8 n GLY 270 N 3.91 -2.67 3.86 6.18 0.00 0.13 0.47 105.19 117.06 2iu8 n GLY 270 Ca -0.20 -1.42 -0.33 0.00 0.00 0.00 0.00 46.02 44.08 2iu8 n GLY 270 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2iu8 s ASN 271 N -1.79 6.73 -1.28 1.61 0.01 -1.26 -3.46 114.94 115.49 2iu8 s ASN 271 Ca 0.06 1.11 -0.05 0.00 -0.71 0.00 0.00 52.86 53.26 2iu8 s ASN 271 Cb -0.01 -2.30 0.01 0.00 0.41 0.00 0.00 41.25 39.36 2iu8 s ASN 271 CO 0.04 -0.11 1.09 1.41 -1.51 0.00 0.00 177.10 178.03 2iu8 n HIS 272 N -0.11 -2.56 -4.06 2.20 8.25 -0.51 -1.65 115.22 116.79 2iu8 n HIS 272 Ca 0.01 0.97 -0.33 0.00 -0.26 0.00 0.00 57.72 58.12 2iu8 n HIS 272 Cb 0.53 -5.03 -0.07 0.00 1.12 0.00 0.00 29.99 26.54 2iu8 n HIS 272 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2iu8 s VAL 273 N -3.33 4.87 -0.12 1.59 1.01 -1.26 -3.03 120.40 120.12 2iu8 s VAL 273 Ca 0.33 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2iu8 s VAL 273 Cb -0.15 -3.24 0.01 0.00 0.00 0.00 0.00 36.38 33.01 2iu8 s VAL 273 CO 0.72 0.34 -0.16 -0.63 0.00 0.00 0.00 175.10 175.37 2iu8 s ILE 274 N -1.23 1.59 -0.27 2.22 1.01 -0.52 -0.28 121.20 123.73 2iu8 s ILE 274 Ca 0.24 -0.69 -0.02 0.00 0.00 0.00 0.00 60.65 60.17 2iu8 s ILE 274 Cb -0.12 -1.45 0.03 0.00 0.01 0.00 0.00 42.46 40.93 2iu8 s ILE 274 CO 0.15 0.46 -0.03 -0.63 0.00 0.00 0.00 174.94 174.89 2iu8 s ILE 275 N 1.03 3.06 1.11 2.92 1.01 -0.47 -0.59 121.20 129.27 2iu8 s ILE 275 Ca -0.05 -1.05 -0.17 0.00 0.00 0.00 0.00 60.65 59.38 2iu8 s ILE 275 Cb -0.15 -2.60 0.24 0.00 0.01 0.00 0.00 42.46 39.97 2iu8 s ILE 275 CO -0.03 0.12 1.12 -0.83 0.00 0.00 0.00 174.94 175.32 2iu8 s GLY 276 N 1.34 1.59 0.40 6.18 0.00 -0.14 -1.18 107.32 115.51 2iu8 s GLY 276 Ca -0.01 -0.78 -0.27 0.00 0.00 0.00 0.00 44.72 43.66 2iu8 s GLY 276 CO -0.03 -0.00 1.48 -0.32 0.00 0.00 0.00 173.10 174.23 2iu8 s GLY 277 N -3.86 2.93 0.00 0.20 0.00 -1.26 -2.61 107.32 102.72 2iu8 s GLY 277 Ca 0.69 1.57 0.00 0.00 0.00 0.00 0.00 44.72 46.98 2iu8 s GLY 277 CO 0.56 2.24 0.00 -1.06 0.00 0.00 0.00 173.10 174.84 2iu8 n GLN 278 N 0.24 -0.47 -0.63 2.90 6.02 -0.66 0.21 117.38 124.99 2iu8 n GLN 278 Ca 0.02 0.12 -0.30 0.00 -0.01 0.00 0.00 57.00 56.83 2iu8 n GLN 278 Cb 0.40 -4.44 0.19 0.00 1.02 0.00 0.00 30.24 27.41 2iu8 n GLN 278 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2iu8 n ALA 279 N 1.00 -1.44 -3.29 -1.58 0.00 -1.07 -4.18 120.51 109.94 2iu8 n ALA 279 Ca 0.00 -0.72 -0.13 0.00 0.00 0.00 0.00 53.44 52.58 2iu8 n ALA 279 Cb 0.12 -2.13 -0.15 0.00 0.00 0.00 0.00 19.45 17.29 2iu8 n ALA 279 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2iu8 s GLY 280 N -2.55 0.03 -0.15 0.00 0.00 0.14 -1.61 107.32 103.19 2iu8 s GLY 280 Ca 0.67 0.19 0.01 0.00 0.00 0.00 0.00 44.72 45.59 2iu8 s GLY 280 CO 0.60 0.36 -0.18 -0.42 0.00 0.00 0.00 173.10 173.47 2iu8 s ILE 281 N 0.51 1.80 1.34 0.90 1.01 -0.38 0.05 121.20 126.42 2iu8 s ILE 281 Ca -0.04 -0.79 -0.18 0.00 0.00 0.00 0.00 60.65 59.64 2iu8 s ILE 281 Cb -0.06 -1.64 0.34 0.00 0.01 0.00 0.00 42.46 41.11 2iu8 s ILE 281 CO -0.02 0.50 0.95 0.35 0.00 0.00 0.00 174.94 176.72 2iu8 n THR 282 N 4.52 0.00 -2.92 2.92 -2.24 -0.48 -0.97 114.28 115.11 2iu8 n THR 282 Ca -0.19 -0.28 -0.27 0.00 -2.27 0.00 0.00 64.05 61.04 2iu8 n THR 282 Cb 0.50 -1.00 -0.01 0.00 -2.10 0.00 0.00 70.33 67.73 2iu8 n THR 282 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2iu8 s GLY 283 N -2.70 1.53 -0.87 3.38 0.00 -1.26 -4.23 107.32 103.17 2iu8 s GLY 283 Ca 0.69 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.81 2iu8 s GLY 283 CO 0.62 -0.46 0.00 1.42 0.00 0.00 0.00 173.10 174.68 2iu8 n HIS 284 N -1.93 -0.37 -4.49 1.90 8.25 -0.82 -4.92 115.22 112.83 2iu8 n HIS 284 Ca -0.01 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.20 2iu8 n HIS 284 Cb 0.55 -2.29 -0.07 0.00 1.12 0.00 0.00 29.99 29.29 2iu8 n HIS 284 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2iu8 n ILE 285 N -3.76 0.00 -4.49 1.59 -5.35 -1.26 -4.97 119.36 101.13 2iu8 n ILE 285 Ca -0.11 -2.42 -0.23 0.00 -0.27 0.00 0.00 62.75 59.71 2iu8 n ILE 285 Cb 0.54 0.89 -0.14 0.00 -1.74 0.00 0.00 39.64 39.19 2iu8 n ILE 285 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2iu8 s ILE 287 N -0.88 1.76 1.06 0.00 -1.09 -0.32 -1.16 121.20 120.56 2iu8 s ILE 287 Ca 0.05 -0.77 -0.12 0.00 -2.23 0.00 0.00 60.65 57.59 2iu8 s ILE 287 Cb -0.09 -1.63 0.23 0.00 -1.58 0.00 0.00 42.46 39.39 2iu8 s ILE 287 CO 0.02 0.47 1.07 0.00 -1.23 0.00 0.00 174.94 175.27 2iu8 s ALA 288 N 1.41 0.34 0.59 9.38 0.00 -0.18 0.18 121.76 133.48 2iu8 s ALA 288 Ca 0.05 0.07 -0.20 0.00 0.00 0.00 0.00 51.96 51.88 2iu8 s ALA 288 Cb -0.13 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 2iu8 s ALA 288 CO -0.11 -3.34 1.29 -0.51 0.00 0.00 0.00 175.76 173.08 2iu8 s ASP 289 N -2.71 5.04 -1.35 0.00 1.01 -1.26 -3.63 116.67 113.77 2iu8 s ASP 289 Ca 0.67 2.60 -0.07 0.00 0.71 0.00 0.00 52.55 56.46 2iu8 s ASP 289 Cb -0.23 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.09 2iu8 s ASP 289 CO 0.62 -1.71 0.86 1.41 0.21 0.00 0.00 175.17 176.56 2iu8 n HIS 290 N -1.47 -2.31 -3.83 4.23 8.25 -0.66 -4.18 115.22 115.25 2iu8 n HIS 290 Ca 0.13 0.74 -0.37 0.00 -0.26 0.00 0.00 57.72 57.96 2iu8 n HIS 290 Cb 0.47 -4.55 -0.06 0.00 1.12 0.00 0.00 29.99 26.98 2iu8 n HIS 290 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2iu8 s VAL 291 N -3.23 5.45 -0.12 1.59 1.01 -1.24 -2.15 120.40 121.71 2iu8 s VAL 291 Ca 0.43 0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.69 2iu8 s VAL 291 Cb -0.19 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 32.76 2iu8 s VAL 291 CO 0.53 0.60 -0.14 -0.63 0.00 0.00 0.00 175.10 175.45 2iu8 s ILE 292 N -1.05 1.49 -0.18 2.22 1.01 0.01 -1.44 121.20 123.25 2iu8 s ILE 292 Ca 0.17 -0.61 -0.06 0.00 0.00 0.00 0.00 60.65 60.14 2iu8 s ILE 292 Cb -0.13 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 2iu8 s ILE 292 CO 0.06 0.44 0.03 -0.04 0.00 0.00 0.00 174.94 175.43 2iu8 s MET 293 N 1.22 3.85 0.73 2.79 -1.94 0.25 -0.25 119.30 125.95 2iu8 s MET 293 Ca -0.02 -0.41 -0.13 0.00 -1.71 0.00 0.00 55.69 53.43 2iu8 s MET 293 Cb -0.14 -3.11 0.04 0.00 2.01 0.00 0.00 34.83 33.62 2iu8 s MET 293 CO -0.05 0.23 1.11 -1.64 -0.01 0.00 0.00 175.02 174.66 2iu8 s MET 294 N 0.44 2.40 0.45 2.03 1.00 -0.05 -0.96 119.30 124.61 2iu8 s MET 294 Ca 0.01 1.31 -0.22 0.00 0.00 0.00 0.00 55.69 56.79 2iu8 s MET 294 Cb -0.13 -1.91 -0.10 0.00 0.00 0.00 0.00 34.83 32.69 2iu8 s MET 294 CO 0.01 -1.55 0.78 0.00 0.00 0.00 0.00 175.02 174.27 2iu8 n ALA 295 N -3.07 -0.59 -1.11 3.03 0.00 -1.26 -2.67 120.51 114.85 2iu8 n ALA 295 Ca 0.10 0.16 -0.04 0.00 0.00 0.00 0.00 53.44 53.66 2iu8 n ALA 295 Cb 0.52 -1.94 -0.02 0.00 0.00 0.00 0.00 19.45 18.01 2iu8 n ALA 295 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2iu8 n GLN 296 N 0.16 -1.07 -2.09 0.00 6.02 0.13 -4.83 117.38 115.70 2iu8 n GLN 296 Ca 0.11 0.49 -0.40 0.00 -0.01 0.00 0.00 57.00 57.19 2iu8 n GLN 296 Cb 0.41 -4.40 -0.01 0.00 1.02 0.00 0.00 30.24 27.25 2iu8 n GLN 296 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2iu8 s THR 297 N -1.73 2.69 -0.33 5.09 2.01 -1.09 -4.77 115.64 117.51 2iu8 s THR 297 Ca 0.00 0.64 0.01 0.00 0.31 0.00 0.00 61.69 62.65 2iu8 s THR 297 Cb 0.00 -3.38 0.09 0.00 0.01 0.00 0.00 72.50 69.21 2iu8 s THR 297 CO 0.00 0.11 0.05 -0.83 -0.69 0.00 0.00 174.62 173.26 2iu8 s GLY 298 N -0.71 1.87 -0.23 4.40 0.00 0.10 0.28 107.32 113.03 2iu8 s GLY 298 Ca 0.55 -2.27 -0.20 0.00 0.00 0.00 0.00 44.72 42.80 2iu8 s GLY 298 CO 0.49 0.86 0.60 0.14 0.00 0.00 0.00 173.10 175.19 2iu8 s VAL 299 N 1.05 5.02 -0.05 1.40 1.01 0.11 -1.02 120.40 127.93 2iu8 s VAL 299 Ca 0.04 1.09 0.11 0.00 0.00 0.00 0.00 61.98 63.22 2iu8 s VAL 299 Cb -0.20 -3.91 -0.17 0.00 0.00 0.00 0.00 36.38 32.10 2iu8 s VAL 299 CO -0.05 0.07 0.19 0.35 0.00 0.00 0.00 175.10 175.66 2iu8 n THR 300 N 4.99 0.24 -4.26 3.92 -2.24 -1.26 -1.39 114.28 114.28 2iu8 n THR 300 Ca -0.02 -0.33 -0.15 0.00 -2.27 0.00 0.00 64.05 61.28 2iu8 n THR 300 Cb 0.49 -0.06 -0.10 0.00 -2.10 0.00 0.00 70.33 68.56 2iu8 n THR 300 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2iu8 s LYS 301 N -2.65 1.10 0.45 -0.78 1.02 -1.26 -4.91 119.74 112.71 2iu8 s LYS 301 Ca -0.05 -1.46 -0.24 0.00 0.02 0.00 0.00 55.97 54.25 2iu8 s LYS 301 Cb 0.06 -0.72 -0.10 0.00 -0.52 0.00 0.00 37.83 36.56 2iu8 s LYS 301 CO 0.48 0.10 1.06 0.43 -0.92 0.00 0.00 175.35 176.50 2iu8 n SER 302 N -0.18 1.46 -4.45 2.83 7.64 -1.26 -4.90 113.62 114.76 2iu8 n SER 302 Ca -0.10 1.02 -0.37 0.00 1.01 0.00 0.00 58.87 60.43 2iu8 n SER 302 Cb 0.60 -1.39 -0.12 0.00 -1.01 0.00 0.00 64.21 62.29 2iu8 n SER 302 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2iu8 s ILE 303 N -1.29 4.35 -2.64 0.44 1.01 -0.31 -4.96 121.20 117.80 2iu8 s ILE 303 Ca 0.64 -0.18 0.22 0.00 0.00 0.00 0.00 60.65 61.33 2iu8 s ILE 303 Cb -0.53 -3.05 0.21 0.00 0.01 0.00 0.00 42.46 39.10 2iu8 s ILE 303 CO 0.56 0.32 1.21 0.35 0.00 0.00 0.00 174.94 177.38 2iu8 n THR 304 N 4.93 0.08 -3.79 2.92 -2.24 -1.26 -1.01 114.28 113.90 2iu8 n THR 304 Ca -0.16 -0.54 -0.13 0.00 -2.27 0.00 0.00 64.05 60.95 2iu8 n THR 304 Cb 0.51 1.38 -0.10 0.00 -2.10 0.00 0.00 70.33 70.02 2iu8 n THR 304 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2iu8 s SER 305 N -1.74 -0.16 1.12 3.42 1.04 -1.26 -4.87 113.70 111.24 2iu8 s SER 305 Ca 0.27 0.13 -0.13 0.00 0.48 0.00 0.00 55.95 56.70 2iu8 s SER 305 Cb 0.19 0.35 0.25 0.00 0.10 0.00 0.00 66.02 66.91 2iu8 s SER 305 CO 0.27 -0.34 1.05 -2.16 0.98 0.00 0.00 173.24 173.05 2iu8 s PRO 306 N -0.96 -0.53 0.00 4.02 0.04 -1.26 -4.85 135.00 131.46 2iu8 s PRO 306 Ca -0.10 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.51 2iu8 s PRO 306 Cb -0.05 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.87 2iu8 s PRO 306 CO 0.03 -3.39 0.00 0.41 0.04 0.00 0.00 177.00 174.08 2iu8 n GLY 307 N -0.11 0.79 3.85 0.56 0.00 -0.91 -4.95 105.19 104.41 2iu8 n GLY 307 Ca 0.04 -2.26 -0.37 0.00 0.00 0.00 0.00 46.02 43.44 2iu8 n GLY 307 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2iu8 s ILE 308 N -0.86 5.12 0.09 -0.61 -1.09 -1.26 -0.81 121.20 121.78 2iu8 s ILE 308 Ca 0.00 0.65 0.02 0.00 -2.23 0.00 0.00 60.65 59.10 2iu8 s ILE 308 Cb 0.00 -3.65 -0.04 0.00 -1.58 0.00 0.00 42.46 37.19 2iu8 s ILE 308 CO 0.00 0.53 -0.08 -0.31 -1.23 0.00 0.00 174.94 173.85 2iu8 s TYR 309 N -1.14 0.93 0.01 3.97 1.51 0.65 -2.00 117.35 121.28 2iu8 s TYR 309 Ca 0.24 -0.78 -0.00 0.00 -1.01 0.00 0.00 57.07 55.52 2iu8 s TYR 309 Cb -0.15 -0.52 0.00 0.00 -0.11 0.00 0.00 41.96 41.17 2iu8 s TYR 309 CO 0.13 -0.08 0.02 0.41 -1.11 0.00 0.00 175.55 174.91 2iu8 n GLY 310 N 0.31 1.81 3.06 0.71 0.00 -0.89 -0.87 105.19 109.31 2iu8 n GLY 310 Ca -0.14 -0.99 0.03 0.00 0.00 0.00 0.00 46.02 44.91 2iu8 n GLY 310 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iu8 n GLY 311 N -0.01 -2.04 2.95 -0.02 0.00 -1.26 -1.03 105.19 103.77 2iu8 n GLY 311 Ca -0.00 -1.40 -0.07 0.00 0.00 0.00 0.00 46.02 44.55 2iu8 n GLY 311 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iu8 s ALA 312 N -1.26 -1.33 0.60 4.61 0.00 -1.26 -0.73 121.76 122.40 2iu8 s ALA 312 Ca 0.00 0.78 -0.17 0.00 0.00 0.00 0.00 51.96 52.57 2iu8 s ALA 312 Cb 0.00 -1.92 -0.03 0.00 0.00 0.00 0.00 23.12 21.17 2iu8 s ALA 312 CO 0.00 -1.47 1.12 -2.14 0.00 0.00 0.00 175.76 173.27 2iu8 s PRO 313 N 2.59 3.09 0.30 0.00 0.02 -1.26 -4.96 135.00 134.78 2iu8 s PRO 313 Ca 0.12 1.48 -0.30 0.00 0.02 0.00 0.00 61.00 62.33 2iu8 s PRO 313 Cb -0.14 -1.98 -0.12 0.00 0.02 0.00 0.00 34.50 32.28 2iu8 s PRO 313 CO -0.22 -1.03 1.47 0.00 -0.33 0.00 0.00 177.00 176.88 2iu8 n ALA 314 N -1.87 1.85 -2.26 -1.55 0.00 -0.18 -4.91 120.51 111.60 2iu8 n ALA 314 Ca 0.11 0.38 -0.14 0.00 0.00 0.00 0.00 53.44 53.78 2iu8 n ALA 314 Cb 0.52 -2.36 -0.10 0.00 0.00 0.00 0.00 19.45 17.50 2iu8 n ALA 314 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2iu8 s ARG 315 N -0.95 1.11 0.32 0.00 1.81 -0.20 -4.92 118.95 116.13 2iu8 s ARG 315 Ca 0.62 -1.50 -0.28 0.00 -1.72 0.00 0.00 55.73 52.84 2iu8 s ARG 315 Cb -0.55 -0.52 -0.13 0.00 -0.45 0.00 0.00 34.95 33.30 2iu8 s ARG 315 CO 0.53 -0.01 1.25 -2.30 -0.68 0.00 0.00 175.30 174.10 2iu8 n PRO 316 N -0.24 1.97 -0.33 3.54 -0.02 -1.26 -2.10 135.00 136.55 2iu8 n PRO 316 Ca -0.09 0.69 0.10 0.00 -2.02 0.00 0.00 63.50 62.18 2iu8 n PRO 316 Cb 0.62 -2.24 0.30 0.00 -0.02 0.00 0.00 33.50 32.16 2iu8 n PRO 316 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 2iu8 h TYR 317 N 2.64 1.03 -0.74 6.00 3.20 -1.72 0.97 116.97 128.36 2iu8 h TYR 317 Ca -0.45 0.03 0.16 0.00 3.14 0.00 0.00 58.73 61.61 2iu8 h TYR 317 Cb 1.29 -0.32 -0.11 0.00 1.54 0.00 0.00 36.73 39.13 2iu8 h TYR 317 CO 0.51 0.36 0.20 0.37 -1.64 0.00 0.00 178.16 177.96 2iu8 h GLN 318 N 0.86 0.29 -0.42 1.82 4.15 -1.89 0.34 115.11 120.26 2iu8 h GLN 318 Ca 0.50 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.87 2iu8 h GLN 318 Cb 0.66 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.26 2iu8 h GLN 318 CO -0.27 0.19 0.14 1.49 -1.93 0.00 0.00 178.83 178.45 2iu8 h GLU 319 N 0.30 0.65 0.00 1.69 4.81 -1.15 -2.51 114.58 118.37 2iu8 h GLU 319 Ca 0.42 -0.14 -0.17 0.00 -0.13 0.00 0.00 59.36 59.34 2iu8 h GLU 319 Cb 0.70 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 2iu8 h GLU 319 CO -0.49 0.63 -0.83 -0.84 -0.73 0.00 0.00 179.01 176.76 2iu8 h ILE 320 N 0.53 1.45 -0.14 2.32 -0.00 -1.28 -1.22 117.51 119.17 2iu8 h ILE 320 Ca 0.14 -2.98 0.02 0.00 -0.00 0.00 0.00 64.86 62.04 2iu8 h ILE 320 Cb 0.25 2.67 -0.02 0.00 -0.00 0.00 0.00 36.82 39.72 2iu8 h ILE 320 CO -0.01 0.81 0.02 -0.74 -0.00 0.00 0.00 178.15 178.23 2iu8 h HIS 321 N 0.00 0.03 -0.61 0.16 2.76 -0.96 0.26 115.15 116.78 2iu8 h HIS 321 Ca -0.01 0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.24 2iu8 h HIS 321 Cb 1.60 0.01 -0.06 0.00 1.55 0.00 0.00 27.41 30.52 2iu8 h HIS 321 CO 0.00 0.00 0.30 0.00 -1.30 0.00 0.00 177.93 176.93 2iu8 h ARG 322 N 0.07 0.54 0.02 5.26 2.47 -1.41 -2.70 114.38 118.63 2iu8 h ARG 322 Ca 0.06 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2iu8 h ARG 322 Cb 0.06 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.26 2iu8 h ARG 322 CO -0.09 0.36 -0.01 1.96 0.56 0.00 0.00 179.97 182.74 2iu8 h GLN 323 N 0.56 -0.03 -0.78 0.04 4.20 -0.68 -0.77 115.11 117.64 2iu8 h GLN 323 Ca 0.28 0.00 0.03 0.00 0.06 0.00 0.00 58.65 59.03 2iu8 h GLN 323 Cb 0.23 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.97 2iu8 h GLN 323 CO -0.21 0.04 0.50 0.28 -0.67 0.00 0.00 178.83 178.77 2iu8 h VAL 324 N -0.08 1.12 -0.42 -0.54 2.07 -0.89 -1.36 116.25 116.14 2iu8 h VAL 324 Ca -0.00 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.10 2iu8 h VAL 324 Cb 0.08 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 2iu8 h VAL 324 CO 0.00 0.18 -0.05 0.00 0.02 0.00 0.00 177.57 177.72 2iu8 h ALA 325 N 1.33 0.58 -0.42 1.67 0.00 -1.31 -0.92 119.26 120.18 2iu8 h ALA 325 Ca 0.31 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2iu8 h ALA 325 Cb 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2iu8 h ALA 325 CO -0.11 0.41 -0.14 0.87 0.00 0.00 0.00 179.25 180.27 2iu8 h LYS 326 N 0.61 0.78 -0.43 0.00 1.79 -0.88 -1.98 116.57 116.45 2iu8 h LYS 326 Ca 0.11 -0.28 -0.07 0.00 -2.18 0.00 0.00 60.65 58.24 2iu8 h LYS 326 Cb 0.56 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.14 2iu8 h LYS 326 CO 0.03 0.88 -0.00 0.28 -1.08 0.00 0.00 179.45 179.56 2iu8 h VAL 327 N 0.70 1.26 0.00 0.50 2.07 -1.12 -2.72 116.25 116.94 2iu8 h VAL 327 Ca 0.11 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 2iu8 h VAL 327 Cb 0.63 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 2iu8 h VAL 327 CO 0.04 0.36 -0.14 -0.09 0.02 0.00 0.00 177.57 177.76 2iu8 h ARG 328 N 0.61 0.00 -0.26 1.57 2.43 -1.02 -2.82 114.38 114.89 2iu8 h ARG 328 Ca 0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2iu8 h ARG 328 Cb 0.49 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2iu8 h ARG 328 CO 0.02 0.14 0.00 -1.71 -1.51 0.00 0.00 179.97 176.91 2iu8 n ASN 329 N -3.65 2.16 -0.17 -3.80 5.15 -0.76 -4.50 115.26 109.69 2iu8 n ASN 329 Ca -0.02 -1.82 -0.03 0.00 -0.60 0.00 0.00 54.58 52.11 2iu8 n ASN 329 Cb 0.26 -0.17 0.06 0.00 -0.53 0.00 0.00 39.78 39.41 2iu8 n ASN 329 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2iu8 h LEU 330 N 2.75 0.29 -0.98 1.20 3.38 -1.33 -1.27 115.31 119.35 2iu8 h LEU 330 Ca 0.00 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2iu8 h LEU 330 Cb 0.61 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 2iu8 h LEU 330 CO 0.00 0.20 0.51 -0.65 0.09 0.00 0.00 178.44 178.59 2iu8 h PRO 331 N 0.44 1.22 0.00 1.13 0.11 -1.85 -0.06 132.00 133.00 2iu8 h PRO 331 Ca 0.24 -0.13 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 2iu8 h PRO 331 Cb 0.21 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 31.07 2iu8 h PRO 331 CO -0.20 0.87 -0.05 -0.09 -0.21 0.00 0.00 178.00 178.32 2iu8 h ARG 332 N 1.23 0.00 0.00 1.05 1.12 -1.81 -0.89 114.38 115.09 2iu8 h ARG 332 Ca 0.32 0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 59.14 2iu8 h ARG 332 Cb -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 29.94 2iu8 h ARG 332 CO -0.05 0.05 -0.72 1.25 -3.11 0.00 0.00 179.97 177.39 2iu8 h LEU 333 N 0.00 0.00 0.11 3.80 5.85 -0.27 -3.12 115.31 121.69 2iu8 h LEU 333 Ca -0.00 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.40 2iu8 h LEU 333 Cb 0.55 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2iu8 h LEU 333 CO 0.01 0.16 -1.70 -0.08 -0.34 0.00 0.00 178.44 176.49 2iu8 h GLU 334 N 0.00 0.23 0.00 1.25 4.81 -0.43 -2.54 114.58 117.91 2iu8 h GLU 334 Ca -0.03 -0.40 -0.06 0.00 -0.13 0.00 0.00 59.36 58.74 2iu8 h GLU 334 Cb 1.15 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.67 2iu8 h GLU 334 CO 0.02 1.07 -0.29 0.93 -0.73 0.00 0.00 179.01 180.01 2iu8 h GLU 335 N 0.06 0.00 -0.12 1.92 5.08 -1.34 0.27 114.58 120.46 2iu8 h GLU 335 Ca -0.30 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.92 2iu8 h GLU 335 Cb 2.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.27 2iu8 h GLU 335 CO 0.13 0.29 -0.52 -0.09 -1.00 0.00 0.00 179.01 177.83 2iu8 h ARG 336 N 0.00 0.34 0.05 2.33 2.43 -1.56 -2.01 114.38 115.96 2iu8 h ARG 336 Ca -0.00 -0.20 -0.13 0.00 -0.81 0.00 0.00 59.98 58.84 2iu8 h ARG 336 Cb 0.65 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.23 2iu8 h ARG 336 CO 0.04 0.78 -0.54 0.82 -1.51 0.00 0.00 179.97 179.56 2iu8 h ILE 337 N 0.26 1.52 -0.63 1.20 2.04 -0.93 -3.07 117.51 117.91 2iu8 h ILE 337 Ca 0.01 -2.24 -0.01 0.00 1.00 0.00 0.00 64.86 63.62 2iu8 h ILE 337 Cb 1.00 2.93 -0.03 0.00 -0.74 0.00 0.00 36.82 39.99 2iu8 h ILE 337 CO 0.09 0.63 0.35 0.00 0.00 0.00 0.00 178.15 179.22 2iu8 h ALA 338 N 0.19 1.44 -0.65 1.87 0.00 -0.53 0.74 119.26 122.32 2iu8 h ALA 338 Ca -0.08 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 2iu8 h ALA 338 Cb 1.33 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2iu8 h ALA 338 CO 0.10 0.47 0.06 0.00 0.00 0.00 0.00 179.25 179.88 2iu8 h ALA 339 N 1.52 0.88 -0.00 0.00 0.00 -1.49 -1.36 119.26 118.81 2iu8 h ALA 339 Ca 0.22 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2iu8 h ALA 339 Cb 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2iu8 h ALA 339 CO -0.04 0.67 -0.16 -0.11 0.00 0.00 0.00 179.25 179.61 2iu8 n LEU 340 N -4.19 0.21 0.08 0.00 7.94 -0.72 -3.04 117.00 117.27 2iu8 n LEU 340 Ca 0.04 0.28 0.04 0.00 -1.11 0.00 0.00 56.01 55.25 2iu8 n LEU 340 Cb 0.32 -0.37 -0.03 0.00 0.53 0.00 0.00 43.42 43.87 2iu8 n LEU 340 CO 0.44 0.05 -0.01 -0.33 -1.11 0.00 0.00 177.39 176.42 2iu8 h GLU 341 N 0.07 0.00 -0.28 1.96 5.08 0.87 -3.34 114.58 118.94 2iu8 h GLU 341 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2iu8 h GLU 341 Cb 0.47 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 2iu8 h GLU 341 CO 0.00 0.24 -0.10 -0.22 -1.00 0.00 0.00 179.01 177.93 2iu8 h LYS 342 N 0.00 0.47 -4.61 2.33 3.64 -1.17 -3.36 116.57 113.86 2iu8 h LYS 342 Ca -0.08 -0.12 -0.63 0.00 -1.27 0.00 0.00 60.65 58.54 2iu8 h LYS 342 Cb 1.37 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.13 2iu8 h LYS 342 CO 0.04 0.57 2.41 1.28 -2.27 0.00 0.00 179.45 181.48 2iu8 n LEU 343 N -4.23 5.00 -4.05 5.20 4.77 -1.25 -4.80 117.00 117.64 2iu8 n LEU 343 Ca 0.01 -3.47 -0.34 0.00 -0.03 0.00 0.00 56.01 52.17 2iu8 n LEU 343 Cb 0.30 -1.45 -0.09 0.00 -2.33 0.00 0.00 43.42 39.85 2iu8 n LEU 343 CO 0.40 0.01 0.15 0.54 -1.33 0.00 0.00 177.39 177.16 2iu8 s VAL 344 N 5.08 3.78 -0.07 4.08 0.11 -1.26 -5.07 120.40 127.05 2iu8 s VAL 344 Ca 0.55 -3.69 0.02 0.00 -2.93 0.00 0.00 61.98 55.94 2iu8 s VAL 344 Cb 0.11 -3.41 -0.02 0.00 -1.53 0.00 0.00 36.38 31.53 2iu8 s VAL 344 CO 0.05 -1.00 -0.13 -1.10 -3.33 0.00 0.00 175.10 169.59 2iu8 s GLN 345 N -0.97 2.73 0.00 1.54 -1.52 -1.26 -5.25 119.66 114.93 2iu8 s GLN 345 Ca 0.23 -0.67 0.00 0.00 -1.95 0.00 0.00 55.36 52.98 2iu8 s GLN 345 Cb -0.11 -2.47 0.00 0.00 -0.22 0.00 0.00 33.01 30.21 2iu8 s GLN 345 CO -0.10 0.54 0.00 1.63 -0.25 0.00 0.00 175.29 177.11