NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 46 A 4.2237 8.2644 123.5772 52.0044 20.0699 177.0732 47 T 3.9550 8.0972 116.5616 60.3661 69.3806 171.5124 48 E 3.8892 8.9194 124.1846 59.4038 29.8457 178.2229 49 L 3.9789 7.8451 119.4316 58.2313 42.3277 178.5523 50 V 3.4911 7.8306 117.6455 66.4928 31.1874 177.6294 51 N 4.3261 8.1303 115.7883 56.1658 38.2652 177.6746 52 K 3.9884 7.7220 120.0525 59.2073 32.1273 179.5426 53 I 3.0584 7.6134 120.1320 64.1865 36.9878 178.3288 54 S 4.0937 7.9179 115.9322 61.8026 62.6543 176.7207 55 E 3.9385 8.3343 121.0028 59.5589 28.9674 179.1002 56 N 4.3903 8.2942 116.3821 56.9016 38.7360 176.9823 57 C 4.4067 8.9009 117.9488 59.5256 34.4156 175.9103 58 F 4.0173 8.8053 122.9383 61.4956 38.8049 176.9169 59 E 4.0627 8.3918 116.7695 59.2311 29.3678 178.9244 60 K 4.3038 7.7220 116.0537 57.4758 32.6859 177.2874 61 C 4.8033 8.0009 114.5876 55.7914 42.0664 173.7497 62 L 4.8803 7.1144 118.8475 52.9637 45.2206 175.9243 63 T 4.4297 7.7372 117.0845 60.9930 72.2483 173.4492 64 S 2.9831 7.8009 118.1463 58.1054 62.5647 172.5252 65 P 4.4691 0.0000 0.0000 62.7777 31.3784 175.3805 66 Y 3.6048 7.1677 114.6785 59.6074 35.6282 171.2312 67 A 4.1354 8.3038 123.6306 55.0292 19.1088 178.9504 68 T 4.2304 7.6377 113.3383 62.2695 68.5739 174.9394 69 R 4.1751 8.3223 126.8640 56.7266 31.5808 176.1320 70 N 4.9416 8.1135 115.9227 51.4529 39.8396 174.7444 71 D 4.4086 8.1327 121.9436 57.6097 41.2735 178.5516 72 A 4.0148 7.9822 120.7672 55.3559 18.3049 180.0521 73 C 4.2578 8.2243 116.6511 59.7127 40.3329 175.8771 74 I 3.6721 7.6870 121.0062 64.4383 36.8015 177.8573 75 D 4.3786 8.1370 119.6657 57.4589 40.6092 178.9227 76 Q 3.9819 7.8343 118.3727 59.2079 28.7168 177.8832 77 C 4.1895 8.4344 119.6769 59.6726 44.4409 175.2300 78 L 3.9190 8.4867 121.8200 58.2013 41.6782 178.5235 79 A 4.0145 8.0577 120.4474 55.4245 18.3127 179.4370 80 K 3.8894 8.7979 118.1521 59.8609 32.1480 178.3400 81 Y 3.9188 8.3177 120.0383 60.9879 38.8411 177.8323 82 M 4.2760 8.4358 119.6950 58.3834 32.1431 178.9205 83 R 4.0300 8.1513 118.4178 59.3590 30.1948 179.3101 84 S 4.1073 7.8761 114.6833 61.0868 62.7058 176.3475 85 W 3.9332 8.1534 131.1012 60.5519 30.4924 177.5763 86 N 4.5497 8.3931 116.1699 56.6488 38.0308 177.5504 87 V 3.6173 7.6848 118.9075 66.0037 31.5671 178.2016 88 I 3.6555 7.7510 119.8474 64.2844 36.8945 178.5365 89 S 4.0040 7.9292 115.3923 61.0743 62.6369 176.5360 90 K 3.8695 8.1670 122.9231 59.2664 31.8194 178.5531 91 A 3.9750 7.8522 119.6684 55.3040 18.5506 178.6895 92 Y 4.1866 8.4124 118.2181 61.1043 38.9500 178.4518 93 I 3.5628 7.9971 120.8239 64.2420 37.0189 178.1282 94 S 4.3810 7.8828 113.4664 59.7836 62.5338 174.6270 95 R 4.4873 7.3114 120.7859 56.0624 30.3422 175.5993 96 I 3.8874 7.5787 115.2043 60.5196 37.3853 176.0282 97 Q 3.9175 7.8446 125.0616 56.3967 28.3687 173.2350 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 46 A 8.26 4.22 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.10 3.95 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 48 E 8.92 3.89 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 49 L 7.85 3.98 0.00 1.83 1.63 1.05 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.83 3.49 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.88 0.00 0.00 51 N 8.13 4.33 0.00 2.76 2.80 0.00 0.00 7.09 8.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 7.72 3.99 0.00 2.00 1.89 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.49 7.81 53 I 7.61 3.06 1.72 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 0.39 0.60 0.00 0.00 54 S 7.92 4.09 0.00 4.01 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.33 3.94 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.52 0.00 56 N 8.29 4.39 0.00 2.99 3.03 0.00 0.00 7.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 C 8.90 4.41 0.00 3.03 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 8.81 4.02 0.00 3.21 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.39 4.06 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.80 0.00 60 K 7.72 4.30 0.00 1.75 1.88 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.79 7.81 61 C 8.00 4.80 0.00 3.02 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.11 4.88 0.00 1.05 1.40 0.85 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.74 4.43 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 64 S 7.80 2.98 0.00 3.65 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.47 0.00 2.23 2.10 0.00 3.79 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 66 Y 7.17 3.60 0.00 3.26 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.30 4.14 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 7.64 4.23 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 69 R 8.32 4.18 0.00 1.79 1.85 0.00 3.30 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 70 N 8.11 4.94 0.00 2.78 2.62 0.00 0.00 6.87 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.13 4.41 0.00 2.76 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.98 4.01 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 C 8.22 4.26 0.00 3.08 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 I 7.69 3.67 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.64 0.92 0.00 0.00 75 D 8.14 4.38 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.83 3.98 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 77 C 8.43 4.19 0.00 3.11 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.49 3.92 0.00 1.74 1.92 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.06 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.80 3.89 0.00 2.05 2.00 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 81 Y 8.32 3.92 0.00 3.36 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 M 8.44 4.28 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.95 0.00 83 R 8.15 4.03 0.00 2.06 2.01 0.00 3.15 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 84 S 7.88 4.11 0.00 3.82 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 W 8.15 3.93 0.00 3.56 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 N 8.39 4.55 0.00 3.13 2.97 0.00 0.00 6.72 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.68 3.62 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.03 0.00 0.00 88 I 7.75 3.66 1.73 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.29 0.67 0.00 0.00 89 S 7.93 4.00 0.00 3.72 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.17 3.87 0.00 1.87 2.08 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.46 7.81 91 A 7.85 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 8.41 4.19 0.00 2.99 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.00 3.56 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.69 0.88 0.00 0.00 94 S 7.88 4.38 0.00 3.96 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 7.31 4.49 0.00 1.90 1.71 0.00 3.36 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 96 I 7.58 3.89 1.85 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.16 0.82 0.00 0.00 97 Q 7.84 3.92 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.65 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00