NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4207 8.3349 115.4127 57.9569 63.5470 173.3489 2 K 4.1858 8.4024 125.0004 55.6620 33.2492 175.7905 3 T 4.1882 8.5113 117.1746 65.8407 69.9053 175.7536 4 N 4.4106 7.9381 120.6488 52.9371 39.8511 173.4709 5 P 4.2958 0.0000 0.0000 65.6998 31.5009 178.8515 6 R 3.9102 8.7806 117.3620 59.2219 29.9062 178.8894 7 L 4.1758 8.0656 119.3242 57.9378 42.0184 178.9270 8 S 4.1192 7.6434 114.6851 61.4070 62.8359 176.2210 9 S 4.0641 8.1409 117.5829 62.1183 62.7023 176.1979 10 L 3.9410 8.2538 122.4638 58.9269 41.4394 178.9150 11 I 3.6478 7.5508 118.9652 64.8440 37.4312 177.7693 12 A 4.0218 8.5726 121.5958 55.0741 18.0497 178.9176 13 D 4.3051 9.1782 116.6183 57.7761 41.0923 179.5501 14 L 3.7821 8.5049 119.0865 58.0732 41.5647 180.1691 15 K 3.9861 8.3919 118.4604 59.4824 31.9975 179.1043 16 S 4.0753 8.1606 112.6701 61.4682 62.3322 175.8396 17 A 4.0796 8.3284 123.2447 55.3914 17.9909 179.5845 18 A 4.6533 8.2408 119.0062 54.2166 18.4092 179.4131 19 R 4.2626 7.8992 116.1645 59.0297 30.8718 178.6720 20 S 4.2557 8.6166 114.6197 61.0782 63.1500 175.6938 21 S 4.4595 7.6103 116.4375 58.1858 63.8285 174.4847 22 G 3.9104 8.3787 109.9937 45.2723 0.0000 174.3714 23 G 3.8366 7.8316 107.7627 43.7790 0.0000 173.9415 24 A 4.5996 8.1554 125.3694 52.2603 21.0549 178.6718 25 V 3.7869 7.2387 109.2384 63.5529 31.8446 178.3423 26 W 4.8803 7.7196 118.4776 60.0225 28.7854 178.5880 27 G 3.7612 8.1535 103.7590 47.3403 0.0000 174.8469 28 D 4.4425 7.7132 119.5889 57.1608 41.2859 178.0418 29 V 3.5892 8.8388 119.3154 66.3474 31.4519 178.1505 30 A 4.0088 8.2468 120.2958 55.1066 18.0079 179.4467 31 E 3.9491 8.1004 116.3399 59.4306 29.7622 179.3728 32 R 4.0480 7.8930 118.2276 59.5315 30.1489 178.3743 33 L 3.8275 7.9719 117.5940 57.7318 41.6238 179.0350 34 E 4.1442 8.0280 117.2241 57.4024 29.7714 177.3526 35 K 4.3552 7.9515 118.6832 54.5128 33.3551 174.7032 36 P 4.0382 0.0000 0.0000 62.7636 32.0671 177.1944 37 R 3.4573 8.8774 122.4867 59.3941 30.0634 178.7884 38 R 4.2061 7.9337 112.0953 58.3480 29.3779 177.1021 39 T 4.3074 8.1688 108.2421 62.4482 69.6916 175.0873 40 H 4.3952 8.2219 119.7973 55.5358 29.4297 174.7839 41 A 4.2148 8.2225 124.6589 52.1400 19.5808 176.7394 42 E 4.8239 8.7847 120.7531 54.4871 31.6498 174.8078 43 V 4.4919 8.7383 124.4125 60.9479 34.7900 174.0620 44 N 5.7218 8.4373 123.1230 51.1120 40.9709 175.7697 45 L 4.0434 8.3119 121.5307 58.4404 41.6156 180.3887 46 G 4.0323 8.2508 104.3949 47.4093 0.0000 174.9002 47 R 4.0077 8.2773 120.8497 58.5689 30.4009 178.4504 48 I 3.8006 7.5277 119.3520 64.3392 37.0782 177.6768 49 E 3.9381 8.5003 119.2657 59.1091 29.3893 178.2922 50 R 3.9936 7.1629 117.1086 57.5150 30.2855 176.2010 51 Y 4.7984 7.5433 112.0854 57.1573 39.4913 174.7277 52 A 4.7782 8.0746 123.6336 50.3474 20.8041 176.7188 53 Q 4.7516 7.9442 118.1520 53.8150 30.9970 175.4702 54 E 4.1303 8.4471 118.1693 57.0055 30.1263 176.4908 55 D 4.3226 8.7446 116.8506 55.0678 38.5671 173.5527 56 E 4.6918 7.7263 118.0586 54.3494 31.8948 175.3289 57 T 4.1515 8.4346 124.8735 63.9689 69.7079 173.8803 58 V 4.3257 8.5001 127.2264 62.4657 33.1758 174.6888 59 V 4.9697 9.3902 128.5535 61.1635 33.8962 174.1727 60 V 4.7686 8.2566 128.6488 59.6885 32.8860 174.6341 61 P 4.6378 0.0000 0.0000 60.5570 30.2441 175.0181 62 G 4.1423 7.1695 118.2318 47.2811 0.0000 175.7565 63 K 5.5555 9.5636 127.2224 53.0877 35.8792 173.6339 64 V 4.6462 7.9538 125.6895 61.5594 33.4679 174.6420 65 L 4.9727 10.0087 127.6118 53.0899 44.4384 177.1625 66 G 3.9635 8.6491 106.8004 46.8845 0.0000 174.0677 67 S 4.2958 8.9433 116.9576 59.2179 63.8149 174.7730 68 G 3.8331 8.9043 111.3206 45.1379 0.0000 172.4381 69 V 4.2710 7.9866 117.4689 60.5969 33.3610 174.1407 70 L 4.7987 8.5381 128.6391 53.5885 43.3928 175.4127 71 Q 4.4808 9.9113 125.9386 56.3024 30.5516 176.4400 72 K 4.1933 8.1866 116.2315 56.7235 32.7055 176.4435 73 D 5.4096 8.2284 119.5954 52.1420 40.1247 174.8407 74 V 4.3994 7.6199 114.6809 59.6892 35.9429 176.0110 75 T 4.8095 8.2859 119.8556 61.5441 69.4745 173.5110 76 V 4.3657 8.3163 127.2659 62.1697 33.2219 175.6195 77 A 5.6095 9.8582 127.6230 50.9895 20.6704 176.7558 *78 A 4.2389 8.0043 120.5526 51.9029 20.0547 177.6904 79 V 3.6261 7.7394 118.7928 65.4902 32.2244 176.1495 80 D 4.5198 7.0076 114.8109 53.5187 43.6485 174.1386 81 F 5.1994 8.9097 123.9946 55.2231 41.6243 175.7171 82 S 4.4571 8.6923 119.1609 58.0219 63.7275 175.6331 83 G 3.6445 8.6638 106.2823 48.5579 0.0000 175.5165 84 T 3.9511 8.0518 118.0577 65.9489 68.4959 176.0071 85 A 4.0185 8.1604 122.3216 55.7347 18.5245 179.1935 86 E 3.8033 7.9929 115.8063 60.4450 29.5662 178.4675 87 T 3.9963 8.5043 116.5870 64.9799 68.1386 176.7881 88 K 4.3288 7.7154 120.8985 59.7731 32.5213 178.9190 89 I 3.5822 8.2359 120.1657 64.6959 36.9140 178.1597 90 D 4.7286 7.7213 119.5750 56.6681 40.4124 178.7156 91 Q 4.1592 8.0275 118.5949 58.9015 28.9096 178.9178 92 V 4.4192 7.3317 110.5286 61.2431 32.6038 175.0264 93 G 4.0495 8.9598 110.9846 44.4598 0.0000 175.3039 94 E 4.8338 9.4695 130.7002 54.9521 32.5088 173.0018 95 A 4.7619 9.4427 130.9276 51.4111 19.3019 176.6306 96 V 4.5514 9.0552 122.4672 60.9253 35.9552 174.7403 97 S 5.0396 8.5908 119.9494 57.5856 64.1971 175.2285 98 L 4.1144 8.2649 123.1222 57.7244 41.0420 179.8348 99 E 3.9569 7.4502 117.5613 59.0525 29.5796 178.9415 100 Q 4.0310 8.5551 118.3465 58.8164 29.0134 177.9083 101 A 4.0010 7.9599 121.1464 55.8194 18.3522 179.2962 102 I 3.0164 7.5695 117.9572 64.5674 36.8711 178.1500 103 E 4.1194 8.0954 119.2327 58.8083 29.6862 177.6874 104 N 4.6860 8.0379 113.5830 53.9984 40.3824 175.0322 105 N 5.0541 8.1786 118.5653 51.7600 40.3427 173.2087 106 P 4.6820 0.0000 0.0000 65.5855 31.8479 177.8199 107 E 4.0666 8.5199 115.2707 56.6581 29.7533 177.2764 108 G 3.3415 8.1654 105.2937 46.2127 0.0000 172.8801 109 S 4.5833 8.4810 115.6213 57.7936 66.3448 174.4485 110 H 4.0451 8.4596 116.0540 57.2618 25.9443 174.7763 111 V 4.8237 7.4946 116.2745 59.9106 34.4706 175.4241 112 R 4.5926 8.8715 124.2107 54.5976 32.5768 174.5852 113 V 5.2415 8.2063 125.5782 61.0479 32.7234 174.7672 114 I 4.6857 8.4472 128.5858 59.3082 39.8643 175.8673 115 R 4.1860 8.4887 122.3281 56.2884 29.5010 175.1350 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 1 S 8.33 4.42 0.00 3.99 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 2 K 8.40 4.19 0.00 1.85 1.78 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.43 1.48 7.81 3 T 8.51 4.19 4.24 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 1.21 0.00 0.00 4 N 7.94 4.41 0.00 2.83 2.71 0.00 0.00 7.14 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 5 P 0.00 4.30 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 6 R 8.78 3.91 0.00 1.83 1.97 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 7 L 8.07 4.18 0.00 1.75 1.83 0.91 0.96 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 8 S 7.64 4.12 0.00 4.15 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 9 S 8.14 4.06 0.00 3.85 3.91 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 10 L 8.25 3.94 0.00 1.72 1.86 0.81 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.55 3.65 2.00 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 1.45 0.82 0.92 0.00 0.00 12 A 8.57 4.02 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 13 D 9.18 4.31 0.00 2.72 2.69 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 14 L 8.50 3.78 0.00 1.89 1.94 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.39 3.99 0.00 2.00 1.87 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.70 7.81 16 S 8.16 4.08 0.00 3.89 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 17 A 8.33 4.08 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 18 A 8.24 4.65 1.52 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 19 R 7.90 4.26 0.00 1.92 2.00 0.00 3.20 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 20 S 8.62 4.26 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 21 S 7.61 4.46 0.00 4.29 3.91 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 22 G 8.38 3.91 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 0.00 0.00 0.00 23 G 7.83 3.84 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 0.00 0.00 0.00 24 A 8.16 4.60 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 25 V 7.24 3.79 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 0.66 0.00 0.00 -0.46 0.00 0.00 26 W 7.72 4.88 0.00 3.34 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 27 G 8.15 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 0.00 0.00 0.00 28 D 7.71 4.44 0.00 3.12 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.84 3.59 2.35 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 1.10 0.00 0.00 1.19 0.00 0.00 30 A 8.25 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.10 3.95 0.00 2.14 2.04 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 2.36 2.60 0.00 32 R 7.89 4.05 0.00 1.93 2.06 0.00 3.44 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 33 L 7.97 3.83 0.00 1.62 1.69 0.87 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.03 4.14 0.00 2.25 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 2.36 2.53 0.00 35 K 7.95 4.36 0.00 1.88 1.75 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.79 7.81 36 P 0.00 4.04 0.00 2.14 1.98 0.00 3.63 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 2.11 2.14 0.00 37 R 8.88 3.46 0.00 1.80 1.96 0.00 3.12 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 38 R 7.93 4.21 0.00 1.90 2.05 0.00 3.01 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 39 T 8.17 4.31 4.25 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 1.20 0.00 0.00 40 H 8.22 4.40 0.00 3.25 3.24 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.22 4.21 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 42 E 8.78 4.82 0.00 1.81 1.87 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 2.19 2.27 0.00 43 V 8.74 4.49 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 1.02 0.00 0.00 0.93 0.00 0.00 44 N 8.44 5.72 0.00 2.69 2.95 0.00 0.00 7.58 6.74 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 45 L 8.31 4.04 0.00 1.85 1.78 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.25 4.03 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 0.00 0.00 0.00 47 R 8.28 4.01 0.00 1.91 2.06 0.00 3.18 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.85 0.00 48 I 7.53 3.80 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.75 0.96 0.00 0.00 49 E 8.50 3.94 0.00 1.90 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 2.51 2.32 0.00 50 R 7.16 3.99 0.00 1.74 1.51 0.00 2.45 0.00 0.00 2.84 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.21 0.00 51 Y 7.54 4.80 0.00 2.99 2.86 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 52 A 8.07 4.78 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 53 Q 7.94 4.75 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.89 0.00 0.00 0.00 0.00 0.00 2.56 2.27 0.00 54 E 8.45 4.13 0.00 2.06 1.92 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 2.60 2.34 0.00 55 D 8.74 4.32 0.00 2.78 2.70 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 56 E 7.73 4.69 0.00 1.98 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 0.00 2.23 2.38 0.00 57 T 8.43 4.15 4.33 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 1.39 0.00 0.00 58 V 8.50 4.33 2.16 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 0.95 0.00 0.00 0.99 0.00 0.00 59 V 9.39 4.97 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 1.10 0.00 0.00 1.30 0.00 0.00 60 V 8.26 4.77 1.98 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 0.81 0.00 0.00 0.96 0.00 0.00 61 P 0.00 4.64 0.00 2.13 2.24 0.00 3.94 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 62 G 7.17 4.14 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 0.00 0.00 0.00 63 K 9.56 5.56 0.00 1.69 1.55 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.29 7.81 64 V 7.95 4.65 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.65 0.00 0.00 65 L 10.01 4.97 0.00 1.80 1.57 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.65 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.94 4.30 0.00 3.88 3.91 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 68 G 8.90 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 69 V 7.99 4.27 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 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.54 4.80 0.00 1.61 1.54 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.91 4.48 0.00 1.93 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.71 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 72 K 8.19 4.19 0.00 1.75 1.77 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.44 1.81 7.81 73 D 8.23 5.41 0.00 2.78 2.69 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 74 V 7.62 4.40 2.12 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 0.96 0.00 0.00 0.97 0.00 0.00 75 T 8.29 4.81 4.29 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 1.28 0.00 0.00 76 V 8.32 4.37 2.30 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 1.16 0.00 0.00 1.02 0.00 0.00 77 A 9.86 5.61 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.00 4.24 1.30 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 0.00 0.00 79 V 7.74 3.63 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 0.71 0.00 0.00 0.87 0.00 0.00 80 D 7.01 4.52 0.00 2.73 2.39 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 81 F 8.91 5.20 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 82 S 8.69 4.46 0.00 4.04 4.08 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 83 G 8.66 3.64 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 0.00 0.00 0.00 84 T 8.05 3.95 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 1.23 0.00 0.00 85 A 8.16 4.02 1.52 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 86 E 7.99 3.80 0.00 1.98 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 0.00 2.17 2.00 0.00 87 T 8.50 4.00 4.44 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 1.21 0.00 0.00 88 K 7.72 4.33 0.00 1.96 1.89 0.00 2.07 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.46 7.81 89 I 8.24 3.58 2.01 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.65 0.92 0.00 0.00 90 D 7.72 4.73 0.00 2.72 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 91 Q 8.03 4.16 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.66 0.00 0.00 0.00 0.00 0.00 2.38 2.67 0.00 92 V 7.33 4.42 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 0.93 0.00 0.00 0.99 0.00 0.00 93 G 8.96 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 94 E 9.47 4.83 0.00 2.04 1.78 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 2.19 2.22 0.00 95 A 9.44 4.76 0.61 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 0.00 0.00 0.00 0.00 0.00 0.00 96 V 9.06 4.55 2.13 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 1.17 0.00 0.00 1.00 0.00 0.00 97 S 8.59 5.04 0.00 4.23 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 98 L 8.26 4.11 0.00 1.64 1.56 0.95 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.45 3.96 0.00 2.01 1.95 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 2.30 2.31 0.00 100 Q 8.56 4.03 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 101 A 7.96 4.00 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 0.00 102 I 7.57 3.02 1.61 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.48 0.70 0.00 0.00 103 E 8.10 4.12 0.00 1.91 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 0.00 2.32 2.34 0.00 104 N 8.04 4.69 0.00 2.79 2.89 0.00 0.00 6.62 8.00 0.00 0.00 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 N 8.18 5.05 0.00 2.86 2.94 0.00 0.00 6.81 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 0.00 106 P 0.00 4.68 0.00 2.33 2.35 0.00 3.52 0.00 0.00 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 107 E 8.52 4.07 0.00 1.97 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 2.33 2.39 0.00 108 G 8.17 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 0.00 0.00 0.00 109 S 8.48 4.58 0.00 3.86 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 0.00 110 H 8.46 4.05 0.00 3.36 3.38 0.00 5.56 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.49 4.82 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 0.43 0.00 0.00 0.98 0.00 0.00 112 R 8.87 4.59 0.00 2.22 1.82 0.00 3.12 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 113 V 8.21 5.24 2.06 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 0.99 0.00 0.00 0.92 0.00 0.00 114 I 8.45 4.69 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.15 1.00 0.00 0.00 115 R 8.49 4.19 0.00 1.86 1.83 0.00 3.05 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.