NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 41 Y 4.6647 8.1444 121.7048 58.0904 39.6787 175.4105 42 D 4.5201 6.8557 119.4203 53.3576 41.1286 177.4941 43 F 4.4055 8.4790 121.1284 62.3793 39.7842 176.7401 44 S 3.9104 8.0919 113.0370 61.1772 62.9742 175.8642 45 C 3.9329 7.9458 119.9874 62.6985 27.9649 175.4784 46 E 3.7395 8.1393 120.8262 59.2182 29.1774 178.7895 47 L 3.9743 7.3366 117.6694 57.7621 41.3847 178.8557 48 Y 3.9227 8.1206 118.8631 60.7672 39.1642 178.0257 49 R 3.8667 8.2843 119.3225 59.3748 30.1614 178.5073 50 M 4.0915 8.5892 118.5114 58.9042 32.0526 178.4359 51 S 4.1404 8.0171 114.3464 61.4769 62.7610 176.2610 52 T 3.8632 7.1924 111.6844 63.7265 68.8167 175.1120 53 Y 4.3059 7.7899 119.4616 58.0297 37.7324 176.8363 54 S 4.2109 7.6400 116.9917 61.1002 62.8854 175.5358 55 T 4.6356 7.8579 108.8834 60.9094 68.9663 173.4364 56 F 4.0920 8.2065 125.1117 57.5247 39.6158 173.3297 57 P 4.0975 0.0000 0.0000 63.0119 31.5730 177.2427 58 A 4.0800 8.5142 124.7559 54.7634 18.5403 178.8907 59 G 3.6293 7.7961 103.2224 47.0160 0.0000 173.9608 60 V 3.6415 7.1800 120.6363 62.3454 31.5672 174.4858 61 P 4.6791 0.0000 0.0000 62.9911 31.1201 176.2589 62 V 4.3437 7.1414 111.9901 58.8521 34.5242 175.9906 63 S 4.1088 8.3237 117.9862 57.9915 63.2164 174.5299 64 E 2.9258 8.7027 129.3105 59.6078 29.0502 179.5217 65 R 3.7201 7.3902 117.6372 59.2027 30.0601 178.7674 66 S 4.0604 7.7327 113.7303 61.1868 63.0577 176.1802 67 L 3.8880 7.5569 122.3960 57.5757 41.3749 179.4387 68 A 4.7531 7.7259 121.8568 54.7994 18.0903 179.6387 69 R 4.1461 8.3107 117.5553 58.8083 30.2532 177.8604 70 A 4.5240 8.0687 118.1905 52.6485 18.8555 177.9498 71 G 3.7268 8.3538 106.4138 44.5851 0.0000 173.0529 72 F 5.3753 8.6491 120.0622 56.3219 40.7797 174.6570 73 Y 5.0581 8.5505 121.5897 55.1187 41.1421 174.1460 74 Y 4.6978 7.9908 123.2688 57.6628 38.8764 175.8408 75 T 3.9955 8.7266 116.6984 62.7217 69.4810 175.8947 76 G 3.2368 6.1948 109.4738 44.7683 0.0000 172.7921 77 V 4.3815 6.9489 118.5888 62.0078 34.9231 175.0842 78 N 4.4896 8.4890 125.1201 54.8994 38.0777 174.5857 79 D 5.1012 8.7212 122.6519 53.9179 40.1074 174.8290 80 K 4.6415 8.9891 122.3518 57.3764 33.4101 176.0650 81 V 5.0790 9.4791 120.2380 59.6558 35.9964 174.3313 82 K 5.1133 8.6275 121.8674 55.1319 36.0586 174.4942 83 C 4.6547 9.1179 128.2854 58.8124 31.9829 174.5924 84 F 4.6243 9.4888 122.0029 59.4805 37.9967 176.1609 85 C 3.7469 7.5565 120.9060 60.9352 31.6373 173.6376 86 C 4.5577 7.7412 109.7861 56.9916 30.5574 174.6041 87 G 3.8268 8.1617 108.4739 45.3996 0.0000 173.3799 88 L 3.9384 7.5290 122.3849 55.5483 43.0475 175.4325 89 M 5.2559 8.6302 125.3383 53.6588 34.4125 175.2487 90 L 4.7507 8.8935 122.5720 53.2751 46.2308 175.8936 91 D 4.4385 7.8212 119.9665 53.9483 42.2958 173.5219 92 N 4.0410 8.8947 111.9086 54.9335 36.7891 174.4348 93 W 4.5381 9.3484 118.7601 56.3732 30.6957 176.7065 94 K 4.7325 9.3568 120.2629 53.9204 35.3955 175.8678 95 L 4.0730 8.5194 123.2558 57.1181 42.2315 177.0063 96 G 4.0882 9.1637 114.0872 45.3758 0.0000 173.4406 97 D 4.3966 7.6725 118.6138 55.2292 41.4604 176.7947 98 S 4.7014 8.6018 116.6407 55.9164 64.3847 172.8393 99 P 4.6776 0.0000 0.0000 65.9216 31.1695 178.7594 100 I 3.9400 7.8643 118.1704 64.3427 37.1448 178.1179 101 Q 4.0171 8.0736 119.9709 59.2327 29.1091 178.2499 102 K 4.0099 8.5640 119.9421 59.8874 32.1015 178.7461 103 H 4.4081 8.6839 118.4081 59.3518 29.6230 177.2895 104 K 4.0924 8.1439 120.4587 59.4725 32.0756 178.5264 105 Q 4.2008 8.1039 117.7891 58.4461 28.8238 177.7949 106 L 4.4447 7.8098 118.5346 56.1600 43.5934 176.8894 107 Y 4.6084 8.0518 118.9246 55.2461 38.6422 173.5784 108 P 4.3943 0.0000 0.0000 64.5904 32.1531 178.2513 109 S 4.2195 7.4346 112.2050 58.8476 63.4113 173.9822 110 C 4.3721 7.9311 123.3235 59.4886 32.0082 173.8441 111 S 4.1559 8.8310 125.3005 61.6271 62.2855 176.5376 112 F 4.0277 8.0518 122.7495 61.4327 39.3753 177.0328 113 I 3.4733 7.7860 117.5585 63.6855 37.4888 177.7842 114 Q 3.9225 7.7871 118.4935 59.0599 28.7860 178.1349 115 N 4.4470 7.7421 114.7368 54.8418 38.5367 176.5487 116 L 4.0937 7.0158 121.9538 56.8522 42.6388 176.9223 117 V 4.0390 7.5782 122.2059 61.8896 31.8185 175.4747 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 41 Y 8.14 4.66 0.00 2.97 3.07 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 42 D 6.86 4.52 0.00 2.55 2.14 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 43 F 8.48 4.41 0.00 3.34 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 44 S 8.09 3.91 0.00 4.03 4.13 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 45 C 7.95 3.93 0.00 3.05 2.56 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 46 E 8.14 3.74 0.00 2.13 1.86 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 2.25 2.30 0.00 47 L 7.34 3.97 0.00 1.80 1.57 0.76 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.12 3.92 0.00 2.84 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 49 R 8.28 3.87 0.00 1.96 2.25 0.00 3.14 0.00 0.00 2.61 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 50 M 8.59 4.09 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 51 S 8.02 4.14 0.00 3.99 4.11 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 52 T 7.19 3.86 4.05 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 0.65 0.00 0.00 53 Y 7.79 4.31 0.00 3.06 2.83 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 54 S 7.64 4.21 0.00 3.97 4.05 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 T 7.86 4.64 4.39 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 1.28 0.00 0.00 56 F 8.21 4.09 0.00 2.96 2.97 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 57 P 0.00 4.10 0.00 1.84 1.83 0.00 2.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 58 A 8.51 4.08 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.80 3.63 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 0.00 60 V 7.18 3.64 1.94 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 1.02 0.00 0.00 0.36 0.00 0.00 61 P 0.00 4.68 0.00 2.19 2.08 0.00 3.75 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 62 V 7.14 4.34 1.76 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 0.78 0.00 0.00 0.42 0.00 0.00 63 S 8.32 4.11 0.00 3.80 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.70 2.93 0.00 1.73 1.17 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 2.12 1.89 0.00 65 R 7.39 3.72 0.00 1.78 1.80 0.00 3.04 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 66 S 7.73 4.06 0.00 4.03 4.02 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 0.00 0.00 0.00 67 L 7.56 3.89 0.00 1.32 1.62 0.24 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.73 4.75 1.31 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 69 R 8.31 4.15 0.00 1.98 2.16 0.00 3.15 0.00 0.00 3.11 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 70 A 8.07 4.52 1.69 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 71 G 8.35 3.73 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 0.00 0.00 0.00 72 F 8.65 5.38 0.00 3.24 3.03 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 Y 8.55 5.06 0.00 2.92 3.07 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 Y 7.99 4.70 0.00 1.43 2.51 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 75 T 8.73 4.00 4.19 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 1.22 0.00 0.00 76 G 6.19 3.24 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 0.00 77 V 6.95 4.38 2.08 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 1.08 0.00 0.00 0.89 0.00 0.00 78 N 8.49 4.49 0.00 2.92 2.12 0.00 0.00 6.97 8.06 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 79 D 8.72 5.10 0.00 2.73 2.57 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 0.00 0.00 0.00 0.00 80 K 8.99 4.64 0.00 1.96 1.95 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.46 7.81 81 V 9.48 5.08 2.36 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 0.90 0.00 0.00 1.02 0.00 0.00 82 K 8.63 5.11 0.00 1.59 0.74 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.25 1.48 7.81 83 C 9.12 4.65 0.00 2.59 2.67 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 84 F 9.49 4.62 0.00 3.23 3.26 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 0.00 0.00 0.00 0.00 85 C 7.56 3.75 0.00 1.94 2.64 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 C 7.74 4.56 0.00 3.03 3.06 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 0.00 87 G 8.16 3.83 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 0.00 88 L 7.53 3.94 0.00 1.63 1.55 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 89 M 8.63 5.26 0.00 1.91 1.93 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 90 L 8.89 4.75 0.00 1.29 0.75 0.83 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 91 D 7.82 4.44 0.00 2.91 2.64 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 N 8.89 4.04 0.00 2.70 2.66 0.00 0.00 6.89 7.95 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 W 9.35 4.54 0.00 3.37 3.13 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 94 K 9.36 4.73 0.00 1.85 1.67 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.48 7.81 95 L 8.52 4.07 0.00 1.60 1.62 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 96 G 9.16 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 97 D 7.67 4.40 0.00 3.09 3.09 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 0.00 0.00 0.00 98 S 8.60 4.70 0.00 3.91 3.80 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 99 P 0.00 4.68 0.00 2.36 2.11 0.00 3.70 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.77 0.00 100 I 7.86 3.94 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.81 0.97 0.00 0.00 101 Q 8.07 4.02 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 102 K 8.56 4.01 0.00 2.02 1.91 0.00 1.63 0.00 0.00 1.32 0.00 0.00 2.83 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.49 1.70 7.81 103 H 8.68 4.41 0.00 3.84 3.64 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.14 4.09 0.00 2.13 2.05 0.00 1.87 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.50 7.81 105 Q 8.10 4.20 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 106 L 7.81 4.44 0.00 1.79 1.83 0.97 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.05 4.61 0.00 3.08 2.93 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 0.00 108 P 0.00 4.39 0.00 2.17 2.30 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.91 0.00 109 S 7.43 4.22 0.00 3.89 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 0.00 110 C 7.93 4.37 0.00 3.29 2.99 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 0.00 111 S 8.83 4.16 0.00 3.91 3.92 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 0.00 112 F 8.05 4.03 0.00 3.00 2.98 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 0.00 113 I 7.79 3.47 1.56 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 1.54 1.01 0.92 0.00 0.00 114 Q 7.79 3.92 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 115 N 7.74 4.45 0.00 2.57 2.83 0.00 0.00 7.04 7.86 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 0.00 116 L 7.02 4.09 0.00 1.20 1.58 0.70 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 117 V 7.58 4.04 2.07 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 0.82 0.00 0.00 0.94 0.00 0.00