NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 T 4.2391 8.1744 110.9425 61.2244 70.3410 173.0335 8 D 4.3040 8.4991 125.2706 51.4247 41.3000 174.4673 9 P 4.4125 0.0000 0.0000 65.4181 32.4414 177.0467 10 R 4.1655 8.5697 116.7822 57.0421 30.4720 176.7172 11 A 4.2459 7.5145 120.4736 50.9927 19.0302 177.1773 12 K 3.9367 8.5413 120.8535 56.3396 32.6145 176.5953 13 W 4.2499 8.9050 135.0000 57.3205 31.2199 175.1216 14 V 4.1061 7.6284 125.1584 60.0531 32.3788 173.2873 15 P 4.0076 0.0000 0.0000 62.2403 32.2082 175.3548 16 Q 4.6550 8.5597 116.8577 54.7336 31.9365 174.1279 17 D 5.4985 8.5224 115.7310 54.1282 41.4742 175.3556 18 N 4.9999 9.4024 113.1124 52.0996 38.8559 174.1633 19 D 4.3464 8.0536 119.8172 53.4694 42.6298 175.2798 20 I 3.0031 7.9659 120.7413 62.3987 37.9398 176.6053 21 Q 4.2552 8.3649 119.1429 55.9973 29.3091 175.2514 22 A 4.7629 7.4495 121.4159 50.5706 20.5707 177.8359 23 C 4.6948 8.9097 118.3517 59.1096 41.4266 174.3045 24 D 5.0050 8.1249 118.8072 52.9312 39.5655 175.2803 25 Y 4.7714 8.1579 122.3758 57.4381 39.2674 176.6592 26 W 4.5983 8.5361 125.1542 59.9393 27.9905 177.6592 27 R 3.3744 5.8400 115.3279 57.7976 29.9109 176.3293 28 H 5.1830 8.2886 115.8921 55.9271 28.9494 174.4925 29 C 3.0713 8.3095 116.9679 57.1031 42.4008 174.1709 30 S 4.8383 7.7496 114.6182 56.8286 62.3573 173.7223 31 I 3.3860 7.3533 117.6694 59.9796 39.4940 174.0784 32 D 4.7675 8.7542 126.3055 53.1980 44.4012 172.1625 33 G 4.2308 7.8993 115.7564 44.4037 0.0000 175.7425 34 N 5.4141 9.6705 122.7608 50.8768 42.2658 173.4032 35 I 4.2669 8.2249 122.8822 60.9428 37.5595 176.5148 36 C 4.1273 8.6376 124.3711 60.0315 34.6381 175.9203 37 D 4.1691 8.0948 118.2687 56.8422 40.8905 177.6670 38 C 4.7592 8.1774 114.9239 57.3666 40.3548 173.7582 39 S 4.6183 8.3211 114.0190 58.2225 63.1241 175.0154 40 G 4.0378 8.8170 108.2955 45.9789 0.0000 175.2959 41 G 4.1004 7.5095 110.6924 44.8378 0.0000 171.3788 42 S 5.0790 8.2197 115.5415 56.5009 66.2709 173.3224 43 L 4.0374 8.6961 120.8468 58.0715 41.6306 178.4557 44 T 4.7054 7.8077 104.0066 60.9628 69.7449 172.9238 45 N 5.0715 7.9073 119.0815 51.7055 41.8261 173.3110 46 C 4.7557 8.3894 117.9466 55.6821 37.2845 172.2042 47 P 4.6609 0.0000 0.0000 61.4290 31.7094 174.4556 48 P 4.1831 0.0000 0.0000 64.1889 31.6628 177.0968 49 G 4.0226 8.8678 110.4118 45.4022 0.0000 173.5958 50 T 4.3381 6.7255 109.3134 60.6797 70.8601 174.2253 51 K 4.5795 8.7687 121.5463 54.4146 34.8420 175.4736 52 L 4.4978 8.4303 126.9475 54.4339 43.0870 175.9635 53 A 4.6273 8.6644 128.8739 52.3502 19.2248 176.8094 54 T 4.3970 8.6846 109.0339 62.8957 71.0465 175.3742 55 A 4.7547 8.0429 123.4804 51.3427 20.7518 177.6006 56 S 3.9462 7.2059 116.3908 58.5888 66.1154 177.7702 *58 V 4.4865 8.6780 113.6167 61.6720 32.7564 173.5193 59 A 4.7640 8.1972 120.2861 51.2872 22.5446 175.4387 60 S 5.0595 8.7722 115.8676 57.5926 63.2811 173.8680 61 C 5.2838 9.4560 125.8729 55.3572 41.3394 172.6413 62 Y 4.6520 8.9702 124.6793 57.3124 40.1256 173.3477 63 N 3.6332 8.3498 126.7985 50.8005 39.3397 173.8882 64 P 4.0507 0.0000 0.0000 65.3502 31.9298 178.1467 65 T 3.8776 7.8835 116.3791 66.1567 68.2901 175.0961 66 D 4.6245 7.5780 116.3627 52.1537 39.8919 176.2776 67 G 3.8090 7.6221 106.7120 46.3953 0.0000 173.5422 68 Q 4.5744 8.1073 118.4653 54.0802 31.8730 174.5627 69 S 5.2976 8.1808 116.7500 57.2248 65.4201 172.8858 70 Y 5.1502 9.2221 122.0409 55.9946 41.6401 174.5031 71 L 4.8599 9.2530 125.1335 54.6366 43.7541 175.2806 72 I 4.6057 8.8874 127.7079 59.5777 39.4687 174.6925 73 A 4.2587 8.1571 129.4389 50.4749 19.3755 176.8014 74 Y 4.7225 8.0079 120.6290 57.9577 36.0586 175.3563 75 R 4.4261 8.0319 121.5136 55.7684 32.4033 175.3966 76 D 5.3398 8.6022 121.7265 53.4152 44.0063 174.6093 77 C 5.2262 8.8241 118.7327 55.7709 39.0924 172.6449 78 C 5.8194 8.8819 120.7627 54.4137 44.2143 174.8408 79 G 4.0643 9.1911 105.3210 46.1171 0.0000 172.9141 80 Y 4.7265 7.4394 114.5037 55.6384 41.9803 174.6146 81 N 4.6005 8.4882 120.4790 52.8329 39.8248 175.1525 82 V 3.9597 8.6146 121.6477 61.2236 31.7353 176.4983 83 S 4.1281 8.2857 118.3532 59.9218 62.8135 175.8772 84 G 3.9764 7.7768 106.8987 45.0754 0.0000 173.0478 85 R 4.5434 7.5906 118.0287 55.5290 33.3521 175.2216 86 C 4.3193 8.6815 116.9308 57.5680 37.6127 171.1468 87 P 5.1130 0.0000 0.0000 63.2173 32.6189 178.2666 88 C 4.9958 9.2363 118.6276 55.8727 45.4393 173.3616 89 L 4.8777 8.3658 123.7100 54.2811 43.7272 174.4966 90 N 5.0868 9.0915 124.1569 50.9195 42.9615 174.6731 91 T 4.8393 7.5389 109.4124 60.9824 68.9825 174.0463 92 E 3.8459 8.2644 122.7210 58.6732 29.4651 177.8347 93 G 3.7504 8.8057 111.8713 45.4012 0.0000 172.1365 94 E 4.3129 7.8291 121.4385 56.0764 29.9068 176.2749 95 L 4.7555 8.1464 126.1663 52.0587 44.7928 174.2727 96 P 4.5007 0.0000 0.0000 62.3298 32.0669 178.1247 97 V 3.6414 8.5074 120.4754 64.8269 31.1569 176.6859 98 Y 4.5062 7.7772 116.1483 57.6723 38.8620 175.6490 99 R 4.7119 7.7844 119.2263 53.8878 30.8506 174.1425 100 P 4.4856 0.0000 0.0000 65.7973 31.7795 179.0585 101 E 3.7099 8.1900 115.7031 58.3597 29.4453 177.4985 102 F 5.1114 8.3153 116.1162 56.8781 39.8975 173.8227 103 A 5.0931 8.1750 124.9337 51.1836 19.6208 177.5885 104 N 5.0887 9.2557 119.8566 52.8197 37.5631 175.4949 105 D 4.7415 7.8467 118.2725 55.1377 41.6366 177.0762 106 I 3.4578 7.2268 120.0297 60.7752 37.4616 175.9677 107 I 3.7944 7.6135 125.6234 60.5481 36.3874 176.8917 108 W 4.7637 8.5338 130.5773 55.8513 27.5685 176.7966 109 C 4.8541 7.2720 114.6943 56.2231 37.5030 174.4783 110 F 4.5617 7.5531 119.8899 59.4195 38.8881 176.2527 111 G 4.4647 9.4160 112.4830 46.3964 0.0000 173.7178 112 A 4.5946 7.7203 122.5485 51.1181 19.1363 176.8106 113 E 3.9629 8.6038 121.6510 57.6533 30.2635 176.8047 114 D 4.5902 9.1096 121.8974 54.7965 38.3046 173.3844 115 D 4.4028 7.8820 114.7301 54.8772 39.0146 173.9316 116 A 4.0970 7.7326 121.5020 53.0201 18.5423 178.3333 117 M 4.6683 8.4963 120.5278 54.7191 34.2473 175.8136 118 T 4.3060 7.6283 110.2415 61.4189 70.7707 172.9173 119 Y 4.4955 8.5697 125.1734 57.6025 40.1682 173.7215 120 H 4.7590 7.9652 124.9904 57.0720 32.2393 171.1856 121 C 4.9713 6.7578 109.7089 55.0266 39.5120 171.7802 122 T 5.3414 9.1077 115.8852 61.7875 71.1217 173.9477 123 I 4.5576 8.4833 118.6901 59.0939 40.5213 175.0618 124 S 4.9681 8.2713 117.3979 56.6344 61.8124 172.4616 125 P 4.5196 0.0000 0.0000 62.3288 33.6138 177.0418 126 I 4.6045 8.1335 122.5652 61.1115 37.7666 176.0624 127 V 4.2868 9.6947 119.0040 60.3354 33.1998 175.6935 128 G 4.1893 7.5605 108.3452 45.8633 0.0000 171.5197 129 K 4.5208 8.3160 119.1829 55.6931 32.7672 177.9494 130 A 4.8458 8.5597 127.5924 52.0497 19.9751 177.1932 131 S 4.3860 8.6433 110.9782 59.4192 63.2056 174.0249 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 7 T 8.17 4.24 4.27 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 1.22 0.00 0.00 8 D 8.50 4.30 0.00 2.83 2.62 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 9 P 0.00 4.41 0.00 2.25 2.21 0.00 3.83 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 2.01 2.01 0.00 10 R 8.57 4.17 0.00 1.96 2.04 0.00 3.17 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 11 A 7.51 4.25 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 12 K 8.54 3.94 0.00 1.76 1.79 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.51 1.51 7.81 13 W 8.90 4.25 0.00 3.28 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 14 V 7.63 4.11 1.91 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 0.83 0.00 0.00 0.95 0.00 0.00 15 P 0.00 4.01 0.00 2.24 1.82 0.00 3.67 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 2.03 2.19 0.00 16 Q 8.56 4.65 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 17 D 8.52 5.50 0.00 2.60 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 18 N 9.40 5.00 0.00 2.79 2.88 0.00 0.00 6.51 7.70 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 19 D 8.05 4.35 0.00 2.67 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 20 I 7.97 3.00 1.32 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.54 0.12 0.00 0.00 21 Q 8.36 4.26 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.24 0.00 22 A 7.45 4.76 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.91 4.69 0.00 3.13 3.35 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 24 D 8.12 5.00 0.00 2.61 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.16 4.77 0.00 3.37 2.92 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 26 W 8.54 4.60 0.00 3.69 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 27 R 5.84 3.37 0.00 1.36 1.52 0.00 2.99 0.00 0.00 2.83 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 28 H 8.29 5.18 0.00 3.55 3.36 0.00 5.63 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.31 3.07 0.00 2.51 3.57 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 30 S 7.75 4.84 0.00 3.81 3.72 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 31 I 7.35 3.39 1.80 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.40 0.90 0.00 0.00 32 D 8.75 4.77 0.00 2.79 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 0.00 0.00 0.00 0.00 33 G 7.90 4.23 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 0.00 0.00 0.00 34 N 9.67 5.41 0.00 2.70 2.83 0.00 0.00 7.39 7.30 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 35 I 8.22 4.27 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.65 0.93 0.00 0.00 36 C 8.64 4.13 0.00 2.92 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.09 4.17 0.00 2.71 2.63 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 38 C 8.18 4.76 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 39 S 8.32 4.62 0.00 3.99 3.86 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 0.00 0.00 0.00 40 G 8.82 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.51 4.10 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 0.00 42 S 8.22 5.08 0.00 3.90 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.70 4.04 0.00 1.66 1.67 0.91 0.59 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 44 T 7.81 4.71 4.21 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 1.17 0.00 0.00 45 N 7.91 5.07 0.00 2.75 2.67 0.00 0.00 7.00 7.74 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 46 C 8.39 4.76 0.00 2.90 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 47 P 0.00 4.66 0.00 1.94 2.06 0.00 3.46 0.00 0.00 3.69 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 48 P 0.00 4.18 0.00 2.00 1.96 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 49 G 8.87 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 0.00 0.00 0.00 50 T 6.73 4.34 4.10 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 0.29 0.00 0.00 51 K 8.77 4.58 0.00 1.62 1.74 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.37 1.66 7.81 52 L 8.43 4.50 0.00 1.75 1.53 0.92 1.06 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 53 A 8.66 4.63 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.68 4.40 4.27 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 1.29 0.00 0.00 55 A 8.04 4.75 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.21 3.95 0.00 3.96 3.34 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 *58 V 8.68 4.49 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.98 0.00 0.00 59 A 8.20 4.76 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 60 S 8.77 5.06 0.00 3.95 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 61 C 9.46 5.28 0.00 3.27 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.97 4.65 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 N 8.35 3.63 0.00 1.44 2.25 0.00 0.00 6.56 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 64 P 0.00 4.05 0.00 2.13 2.16 0.00 3.13 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 1.77 1.90 0.00 65 T 7.88 3.88 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 1.13 0.00 0.00 66 D 7.58 4.62 0.00 2.68 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 67 G 7.62 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.11 4.57 0.00 1.86 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.31 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 69 S 8.18 5.30 0.00 3.75 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 70 Y 9.22 5.15 0.00 3.27 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 71 L 9.25 4.86 0.00 1.79 1.59 1.08 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.89 4.61 1.42 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 1.16 1.08 0.14 0.00 0.00 73 A 8.16 4.26 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 4.72 0.00 2.95 3.01 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 0.00 0.00 0.00 75 R 8.03 4.43 0.00 1.79 1.88 0.00 3.08 0.00 0.00 3.32 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 76 D 8.60 5.34 0.00 2.88 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 77 C 8.82 5.23 0.00 2.73 2.87 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 78 C 8.88 5.82 0.00 2.79 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 79 G 9.19 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 0.00 0.00 0.00 0.00 80 Y 7.44 4.73 0.00 2.64 2.74 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 81 N 8.49 4.60 0.00 2.64 2.73 0.00 0.00 7.02 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 82 V 8.61 3.96 2.24 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 0.99 0.00 0.00 1.10 0.00 0.00 83 S 8.29 4.13 0.00 3.98 3.67 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 G 7.78 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 R 7.59 4.54 0.00 1.80 1.83 0.00 3.33 0.00 0.00 3.46 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 86 C 8.68 4.32 0.00 3.09 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 87 P 0.00 5.11 0.00 2.08 2.06 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 88 C 9.24 5.00 0.00 2.83 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 89 L 8.37 4.88 0.00 1.52 1.48 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 90 N 9.09 5.09 0.00 2.37 2.06 0.00 0.00 6.17 7.64 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 91 T 7.54 4.84 4.16 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 1.17 0.00 0.00 92 E 8.26 3.85 0.00 1.90 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 1.95 2.22 0.00 93 G 8.81 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.83 4.31 0.00 1.96 1.83 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 2.59 2.58 0.00 95 L 8.15 4.76 0.00 1.58 1.45 0.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.50 0.00 1.40 2.01 0.00 3.28 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 97 V 8.51 3.64 2.10 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 0.83 0.00 0.00 0.95 0.00 0.00 98 Y 7.78 4.51 0.00 3.11 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.78 4.71 0.00 1.79 1.90 0.00 3.39 0.00 0.00 3.35 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.56 0.00 100 P 0.00 4.49 0.00 2.51 2.49 0.00 3.80 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 101 E 8.19 3.71 0.00 1.51 1.85 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 0.00 1.47 1.47 0.00 102 F 8.32 5.11 0.00 3.10 2.95 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 0.00 0.00 0.00 0.00 103 A 8.17 5.09 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 9.26 5.09 0.00 2.78 2.90 0.00 0.00 7.01 8.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 D 7.85 4.74 0.00 2.61 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 0.00 106 I 7.23 3.46 0.83 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.28 -0.28 0.00 0.00 107 I 7.61 3.79 1.62 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.63 0.93 0.00 0.00 108 W 8.53 4.76 0.00 3.65 3.31 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 0.00 109 C 7.27 4.85 0.00 2.75 3.20 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 0.00 0.00 0.00 0.00 110 F 7.55 4.56 0.00 3.29 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.42 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.72 4.59 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 0.00 113 E 8.60 3.96 0.00 2.02 1.84 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 2.39 2.35 0.00 114 D 9.11 4.59 0.00 2.89 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 D 7.88 4.40 0.00 2.87 2.76 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 0.00 0.00 0.00 0.00 116 A 7.73 4.10 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 0.00 117 M 8.50 4.67 0.00 1.88 2.02 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 118 T 7.63 4.31 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 0.00 119 Y 8.57 4.50 0.00 3.13 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 H 7.97 4.76 0.00 3.24 3.23 0.00 5.87 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 C 6.76 4.97 0.00 3.13 2.87 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 0.00 122 T 9.11 5.34 4.40 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 123 I 8.48 4.56 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.91 0.90 0.00 0.00 124 S 8.27 4.97 0.00 3.75 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 0.00 125 P 0.00 4.52 0.00 2.05 2.11 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 126 I 8.13 4.60 1.85 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.43 1.07 0.00 0.00 127 V 9.69 4.29 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 0.61 0.00 0.00 1.00 0.00 0.00 128 G 7.56 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 0.00 0.00 0.00 0.00 129 K 8.32 4.52 0.00 1.61 1.64 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.91 1.27 7.81 130 A 8.56 4.85 1.19 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 0.00 0.00 131 S 8.64 4.39 0.00 3.86 3.76 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.