NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 H 4.7348 8.4444 116.3214 54.9338 29.8848 172.4932 7 R 4.1273 8.4024 122.2816 55.7570 30.6692 174.7239 8 L 4.5228 8.5933 127.1511 55.0920 42.9101 176.9089 9 S 4.5242 9.4511 118.2900 57.3603 64.9564 175.0197 10 A 4.0599 8.8547 124.0808 56.0876 18.0558 180.4289 11 E 3.9725 8.0756 116.2012 61.3373 29.9383 181.2192 12 E 4.2163 8.1874 119.8354 59.2766 29.3969 179.7282 13 R 3.9276 8.1868 118.2563 59.2708 29.9063 178.5949 14 D 4.3628 8.0599 118.8087 57.3226 41.2807 178.1032 15 Q 4.3565 7.7238 119.1926 57.9619 28.6263 181.0175 16 L 4.8137 7.7833 116.0060 55.6136 43.9040 178.2039 17 L 4.1947 8.2025 119.3013 56.4752 41.7139 176.9814 18 P 4.2240 0.0000 0.0000 66.0931 31.0762 178.0628 19 N 4.3277 8.1363 112.7722 56.3631 38.7250 177.0243 20 L 4.3265 7.8629 122.3242 58.3872 41.9536 180.0502 21 R 4.9107 9.0025 121.9907 60.9025 29.0435 180.6231 22 A 4.3543 8.2226 119.4140 54.3334 18.3076 179.1036 23 V 4.2953 7.3065 109.1544 61.3200 32.2522 176.6112 24 G 3.8334 7.7258 105.9335 44.7944 0.0000 174.6355 25 W 4.3499 8.1055 120.4914 56.4206 30.6237 175.1038 26 N 5.4033 8.5164 120.1008 51.4059 42.7226 173.6134 27 E 4.8555 8.8182 120.9278 56.1661 30.5396 176.7198 28 L 4.4482 9.3921 126.5227 55.2538 42.7595 177.1046 29 E 4.3032 8.7583 118.5597 56.2989 30.6066 176.8550 30 G 4.0525 10.6841 112.2025 44.1461 0.0000 172.9399 31 R 4.4547 7.1469 116.5863 55.1785 32.6849 174.5838 32 D 4.7927 8.5256 125.0458 53.2043 40.4922 174.2209 33 A 4.7633 8.0547 123.6002 50.5792 23.0780 174.6398 34 I 5.3190 8.4709 113.1707 59.4388 40.8380 174.6257 35 F 5.7764 9.4987 118.0440 55.9093 41.8537 173.0760 36 K 4.0868 8.9864 122.7512 55.6611 35.7247 175.0105 37 Q 4.8268 8.1130 127.2166 54.5539 29.4555 173.3273 38 F 4.5887 9.7446 125.6576 55.5048 42.1228 174.9640 *39 H 5.1557 8.1691 120.2367 53.4227 31.2072 171.2153 40 F 4.7275 8.9380 121.8452 54.2063 41.8276 175.8009 41 K 4.1020 8.8673 120.6387 59.3609 32.3378 175.5500 42 D 4.2880 7.4499 115.9124 50.8210 42.4065 175.3249 43 F 4.1274 7.9100 120.9195 60.5849 39.1562 176.2899 44 N 4.1203 8.1792 116.4180 56.8644 38.6433 176.9244 45 R 3.7030 8.4929 119.3410 58.9220 30.1548 178.8040 46 A 2.9148 7.4921 120.4971 54.9559 18.3057 179.5558 47 F 3.6288 8.1525 119.4934 60.6966 39.3700 177.7033 48 G 3.4303 7.7503 105.7725 47.4333 0.0000 175.3788 49 F 4.0231 7.9110 123.1877 61.3867 39.3550 177.0440 50 M 3.6057 7.5981 118.0914 58.3438 31.5748 178.9943 51 S 3.8634 7.6845 115.4530 61.5760 62.9202 177.0120 52 R 3.9532 7.7144 120.5397 59.2246 29.6993 179.3450 53 V 3.7008 7.7960 117.9427 65.7122 31.5588 177.9333 54 A 3.9943 8.6501 121.0095 55.0832 18.2255 179.5068 55 L 3.8590 7.9190 117.4172 58.1310 41.6556 179.6702 56 Q 3.6084 7.7192 118.7290 58.7974 28.7593 177.9398 57 A 3.9566 7.8489 123.5888 54.6123 18.1212 179.4702 58 E 3.9223 7.7705 115.8617 59.0661 29.6215 179.0611 59 K 4.0132 7.6951 119.2627 58.8453 32.3659 178.0814 60 L 4.2306 7.9376 117.0958 53.5097 42.7227 175.6682 61 D 4.3488 8.0155 117.4694 54.9931 40.0033 173.2739 62 H 4.7706 7.5620 116.6600 54.7975 32.9617 171.0555 63 H 4.6654 8.4122 123.6056 53.0483 31.2905 172.0731 64 P 4.3497 0.0000 0.0000 62.5334 32.8380 175.6404 65 E 4.6846 8.8747 121.5279 54.7630 30.5780 175.0693 66 W 5.9261 9.0103 121.0517 54.6124 31.9387 174.2485 67 F 5.1948 9.6527 123.8461 56.5868 41.7298 173.4068 68 N 5.2261 8.0535 123.2805 51.7736 42.2716 173.9397 69 V 4.0875 8.1933 124.8098 61.9266 34.8997 176.3563 70 Y 3.7308 8.8551 131.6996 59.0413 38.8046 171.3010 71 N 4.7527 9.4032 118.6247 53.3594 38.5032 174.7644 72 K 5.1582 8.2136 123.8105 53.7287 34.9187 180.4373 73 V 4.8242 9.1261 124.1336 60.9731 34.7921 173.7120 74 H 5.7012 9.8735 126.2075 54.4402 30.9981 173.6204 75 I 5.3406 9.1550 124.7295 59.9332 40.1770 174.8264 76 T 5.4046 9.5746 123.0922 61.8399 72.0030 172.9544 77 L 5.1660 9.1992 125.7039 53.2097 45.0465 175.5350 78 S 4.8962 8.3845 115.4806 58.0924 65.8054 174.2799 79 T 4.5627 8.5230 123.2845 62.7255 69.9982 175.8229 *80 H 4.0821 9.2384 126.6181 58.3162 28.4217 174.2537 81 E 4.0355 8.4240 115.3754 58.6091 29.3068 179.5510 82 C 4.5740 8.0756 110.6109 56.6134 30.3042 173.5516 83 A 3.7226 7.8914 121.2019 52.1407 16.2298 176.5952 84 G 3.9759 7.2609 108.6226 45.3918 0.0000 171.4070 85 L 4.5318 8.2575 120.0405 54.8119 42.1671 176.8113 86 S 4.8282 9.1438 118.8064 56.1881 66.4525 175.3308 87 E 4.0111 8.4683 118.3327 60.9767 29.1616 176.6859 88 R 3.9585 7.6289 116.7293 59.6609 29.9404 178.7876 89 D 4.3573 7.8763 118.8641 57.1800 40.8415 178.8512 90 I 3.5361 7.5077 119.8756 64.2633 37.1856 178.0699 91 N 4.2803 8.2835 117.5502 56.2774 38.3709 177.2673 92 L 3.9400 7.8856 121.4643 58.0909 42.1723 178.8000 93 A 3.8634 7.9965 120.7835 55.2109 18.2365 179.8367 94 S 4.1022 8.1440 113.7373 61.5950 62.9775 176.7199 95 F 4.0778 8.3070 123.5011 61.2261 39.1126 177.2450 96 I 3.8432 8.4504 119.9811 64.5476 36.9724 178.2065 97 E 4.3468 8.7708 121.8527 60.2928 29.1140 180.0219 98 Q 4.0115 7.6986 119.1326 60.2116 28.3694 180.5130 99 V 3.8640 7.5905 119.5684 65.7127 31.3623 177.9996 100 A 4.1339 8.4357 120.7106 55.3414 18.0667 179.7776 101 V 3.7516 7.7337 108.9847 63.6544 31.6175 178.1963 102 S 4.4334 7.7627 114.6784 60.8248 63.1279 173.9560 103 M 4.2942 7.7492 124.8054 55.6037 31.7465 175.9719 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 6 H 8.44 4.73 0.00 3.23 3.39 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.40 4.13 0.00 1.94 1.89 0.00 3.26 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 8 L 8.59 4.52 0.00 1.55 1.60 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 9 S 9.45 4.52 0.00 3.87 3.99 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 10 A 8.85 4.06 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.08 3.97 0.00 1.99 1.97 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 2.31 1.97 0.00 12 E 8.19 4.22 0.00 2.24 2.03 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 2.34 2.36 0.00 13 R 8.19 3.93 0.00 2.02 1.98 0.00 3.13 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 14 D 8.06 4.36 0.00 2.68 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.72 4.36 0.00 2.23 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.55 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 16 L 7.78 4.81 0.00 1.60 1.66 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.20 4.19 0.00 1.83 1.70 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.22 0.00 2.15 2.14 0.00 3.60 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.22 0.00 19 N 8.14 4.33 0.00 2.68 2.90 0.00 0.00 6.93 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.86 4.33 0.00 1.77 1.54 0.58 0.79 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 21 R 9.00 4.91 0.00 1.76 1.94 0.00 3.26 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.38 0.00 22 A 8.22 4.35 1.39 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 0.00 0.00 23 V 7.31 4.30 2.15 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 0.84 0.00 0.00 1.30 0.00 0.00 24 G 7.73 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 25 W 8.11 4.35 0.00 3.29 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 26 N 8.52 5.40 0.00 2.22 2.63 0.00 0.00 6.86 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.82 4.86 0.00 1.94 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 2.38 2.40 0.00 28 L 9.39 4.45 0.00 1.72 1.62 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.76 4.30 0.00 1.98 1.74 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 2.19 1.87 0.00 30 G 10.68 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 0.00 0.00 0.00 31 R 7.15 4.45 0.00 1.75 1.78 0.00 3.25 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 32 D 8.53 4.79 0.00 2.87 2.58 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 33 A 8.05 4.76 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.47 5.32 2.16 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.05 0.98 0.00 0.00 35 F 9.50 5.78 0.00 3.32 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 36 K 8.99 4.09 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.30 0.41 7.81 37 Q 8.11 4.83 0.00 1.87 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.48 0.00 0.00 0.00 0.00 0.00 2.22 1.95 0.00 38 F 9.74 4.59 0.00 2.98 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *39 H 8.17 5.16 0.00 2.64 2.78 0.00 7.15 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.94 4.73 0.00 2.72 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.87 4.10 0.00 1.75 1.87 0.00 1.80 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.47 7.81 42 D 7.45 4.29 0.00 2.86 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 4.13 0.00 2.85 3.05 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 44 N 8.18 4.12 0.00 2.82 2.93 0.00 0.00 7.24 7.65 0.00 0.00 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 R 8.49 3.70 0.00 1.93 1.75 0.00 3.22 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 46 A 7.49 2.91 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.15 3.63 0.00 1.81 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.75 3.43 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 0.00 49 F 7.91 4.02 0.00 2.43 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 M 7.60 3.61 0.00 1.04 1.23 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 1.46 0.00 51 S 7.68 3.86 0.00 3.78 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.71 3.95 0.00 1.98 2.06 0.00 3.11 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 53 V 7.80 3.70 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.47 0.00 0.00 54 A 8.65 3.99 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.92 3.86 0.00 1.85 1.68 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.72 3.61 0.00 1.21 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 1.16 1.73 0.00 57 A 7.85 3.96 1.10 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 0.00 0.00 58 E 7.77 3.92 0.00 2.08 1.99 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 2.35 2.46 0.00 59 K 7.70 4.01 0.00 1.65 1.83 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.40 7.81 60 L 7.94 4.23 0.00 1.49 1.59 0.74 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.02 4.35 0.00 2.74 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 62 H 7.56 4.77 0.00 3.10 2.97 0.00 5.87 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.41 4.67 0.00 2.98 3.00 0.00 5.94 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.35 0.00 1.42 1.59 0.00 3.22 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 65 E 8.87 4.68 0.00 2.23 2.05 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 2.28 2.24 0.00 66 W 9.01 5.93 0.00 3.36 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 67 F 9.65 5.19 0.00 3.22 3.11 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 68 N 8.05 5.23 0.00 2.54 2.43 0.00 0.00 6.81 7.71 0.00 0.00 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 V 8.19 4.09 2.03 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 0.93 0.00 0.00 0.60 0.00 0.00 70 Y 8.86 3.73 0.00 3.15 2.34 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.40 4.75 0.00 2.96 2.56 0.00 0.00 5.91 7.20 0.00 0.00 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 K 8.21 5.16 0.00 1.45 1.69 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.22 7.81 73 V 9.13 4.82 2.48 0.00 0.00 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 1.08 0.00 0.00 74 H 9.87 5.70 0.00 3.43 3.41 0.00 5.64 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 9.16 5.34 2.38 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.29 1.29 0.00 0.00 76 T 9.57 5.40 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 1.35 0.00 0.00 77 L 9.20 5.17 0.00 1.56 1.71 0.75 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.38 4.90 0.00 3.87 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.52 4.56 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 1.22 0.00 0.00 *80 H 9.24 4.08 0.00 2.83 3.08 0.00 7.22 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.42 4.04 0.00 1.97 1.93 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 2.24 1.90 0.00 82 C 8.08 4.57 0.00 3.06 3.02 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 83 A 7.89 3.72 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 84 G 7.26 3.98 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 0.00 0.00 0.00 85 L 8.26 4.53 0.00 1.71 1.59 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 86 S 9.14 4.83 0.00 3.89 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.47 4.01 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.97 0.00 88 R 7.63 3.96 0.00 1.42 1.44 0.00 2.94 0.00 0.00 3.01 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 89 D 7.88 4.36 0.00 2.79 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.51 3.54 1.91 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.96 0.83 0.00 0.00 91 N 8.28 4.28 0.00 2.64 2.82 0.00 0.00 6.69 7.52 0.00 0.00 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 L 7.89 3.94 0.00 1.81 1.62 0.81 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.00 3.86 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.14 4.10 0.00 4.07 3.94 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 0.00 0.00 0.00 0.00 95 F 8.31 4.08 0.00 3.10 3.19 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 0.00 96 I 8.45 3.84 2.40 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.74 1.31 0.00 0.00 97 E 8.77 4.35 0.00 2.31 2.15 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 2.97 2.75 0.00 98 Q 7.70 4.01 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.98 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 99 V 7.59 3.86 2.27 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 1.04 0.00 0.00 0.49 0.00 0.00 100 A 8.44 4.13 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.73 3.75 2.11 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 0.92 0.00 0.00 1.04 0.00 0.00 102 S 7.76 4.43 0.00 4.05 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 0.00 103 M 7.75 4.29 0.00 2.15 2.36 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 2.50 2.93 0.00 * Residues marked with a * may have inaccurate shift predictions.