NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.1159 8.4401 121.4721 51.7109 31.9559 173.5662 2 A 3.1606 8.0009 128.9474 50.3510 15.2582 174.6577 3 A 4.5673 7.0423 123.2304 51.5611 24.0041 173.3433 4 V 4.6025 7.8063 118.0455 61.5590 34.7882 174.6061 5 T 4.5628 8.1614 124.4050 63.2092 70.3581 174.1409 6 Q 4.4708 8.5199 126.2691 55.4192 31.9779 173.2396 7 S 5.0823 8.6106 120.7740 55.9775 67.8706 172.3360 8 P 4.5340 0.0000 0.0000 64.1151 31.3428 176.3362 9 R 4.3128 8.7791 118.9471 58.4532 31.1548 175.9012 10 N 5.4657 7.9697 114.2350 51.3849 41.7413 173.7503 11 K 4.6315 9.3269 123.3603 55.2860 36.1441 174.7392 12 V 5.5009 8.3414 125.3582 60.4461 35.0486 173.7487 13 A 4.4662 8.0318 125.0117 51.3679 22.4029 175.9756 14 V 4.9730 8.2192 112.6966 60.3378 33.1718 176.2475 15 T 3.8933 8.4281 118.7644 64.8611 69.2152 176.2154 16 G 3.8866 9.0213 109.2687 46.0618 0.0000 174.0553 17 G 3.8401 7.5620 107.3985 46.6565 0.0000 173.0263 18 K 4.9967 8.2280 120.7179 55.3612 32.5418 174.8967 19 V 4.3288 8.2341 126.9296 61.4446 35.3085 174.4817 20 T 4.8562 8.0772 119.2007 61.1651 69.6466 171.9533 21 L 4.0874 7.8232 125.0396 55.6842 40.4619 176.9022 22 S 5.0430 8.2962 122.8269 60.0543 66.5863 172.1205 23 C 5.6900 8.1316 117.3855 60.3596 34.3102 174.4936 24 N 5.3719 8.2055 123.4606 52.2575 41.6952 173.2967 25 Q 4.7485 8.3365 120.0999 54.9727 31.9474 174.8068 26 T 4.7330 7.6486 121.1915 60.5876 69.2679 174.7452 27 N 4.5433 8.0145 114.5471 55.4959 37.6544 174.3509 28 N 4.2194 8.2847 111.7770 55.2213 36.6771 174.1864 29 H 4.4078 8.1714 119.1554 56.1423 29.3884 175.6139 30 N 5.3288 8.7112 120.6381 55.9785 38.5364 175.9139 31 N 5.0584 7.7035 114.4010 53.5531 40.0699 173.9577 32 M 4.9250 7.3004 118.2009 54.8857 37.0733 173.3323 33 Y 5.6102 9.6120 119.6572 55.6929 43.6160 174.4950 34 W 5.0436 8.5664 119.4007 56.8488 32.0719 174.1975 35 Y 5.2560 9.2102 122.7871 56.5355 41.2224 175.2124 36 R 4.6591 10.0055 121.4013 54.7600 32.7041 173.7390 37 Q 4.3783 8.9638 129.3917 55.4342 30.4356 174.2868 38 D 5.1408 8.5074 125.1724 52.5159 45.6976 175.3345 39 T 4.1400 8.4836 111.6437 62.8033 69.5862 172.7369 40 G 4.2476 9.2795 110.7192 45.6811 0.0000 174.0927 41 H 4.6688 7.7403 112.9153 54.0028 31.3704 174.7380 42 G 3.8297 7.9082 107.2317 44.2490 0.0000 172.9830 43 L 4.3212 8.2132 118.1821 55.3217 42.1674 176.8784 44 R 4.8929 8.5854 119.0183 54.5175 34.7783 174.3727 45 L 4.0541 8.9447 125.7844 55.4361 43.1461 175.6772 46 I 4.4224 8.9487 124.4041 62.7633 39.7931 175.1062 47 H 5.0357 8.0881 117.7141 54.4495 33.4322 171.7136 48 Y 5.2293 8.0542 119.4201 55.8570 42.2801 173.9040 49 S 4.6298 8.2659 113.0270 57.1511 66.0817 173.8059 50 Y 4.5201 8.7835 123.9746 57.9361 37.8044 174.0736 51 G 3.7906 7.9900 106.6290 42.9318 0.0000 173.1373 52 A 4.1208 8.2549 121.4755 53.2358 18.6219 178.5635 53 G 3.9119 8.6857 108.9671 45.8353 0.0000 173.4991 54 S 4.6387 8.0700 114.7896 57.0026 63.7812 173.9383 55 T 4.4192 8.0423 122.8603 63.2305 70.8943 172.1085 56 E 4.5219 8.3567 128.3672 53.5008 32.4690 175.6401 57 K 3.4565 8.6593 125.8386 56.6856 32.7869 176.5281 58 G 4.3257 8.0714 109.9124 44.4367 0.0000 173.4217 59 D 4.5936 8.8972 119.1785 55.9887 41.8775 177.0539 60 I 4.6329 7.4470 118.8496 58.7117 37.4897 172.5630 61 P 4.6691 0.0000 0.0000 64.1852 32.5973 177.5039 62 D 4.3384 8.1349 117.2849 55.9979 41.3807 177.4865 63 G 3.7232 8.7111 109.8394 46.2123 0.0000 172.5422 *65 Y 5.0332 7.3445 115.4219 58.1553 39.5587 175.3526 66 K 4.4031 8.5819 120.5054 55.2241 35.8700 175.8658 67 A 4.7042 8.5456 127.0250 51.5181 20.3025 176.5099 68 S 4.4480 8.8519 113.6805 57.3589 66.2067 173.6024 69 R 4.9227 8.6945 129.4632 54.3839 28.5661 174.3924 70 P 4.2417 0.0000 0.0000 64.6574 32.3518 177.5799 71 S 4.6479 7.4255 113.6164 56.0688 65.4345 174.9748 72 Q 3.6490 8.3529 128.7365 59.3131 30.0981 179.2324 73 E 3.9206 8.1859 116.0077 59.5255 29.8012 177.0221 74 N 5.0850 7.8274 115.1435 53.2144 39.5870 174.6992 75 F 5.6342 8.7704 124.1786 57.3510 42.9963 173.5437 76 S 4.9809 8.9207 119.6001 56.6850 66.7246 172.4626 77 L 4.3684 7.3166 122.6577 53.2662 43.8734 175.5374 78 I 4.4861 8.1837 125.0849 59.2642 41.0759 175.0078 79 L 4.9675 7.6612 123.6603 54.0298 39.7822 176.1776 80 E 3.6853 8.1284 125.1685 59.2315 30.1545 177.0717 81 L 4.6491 7.4694 118.8635 53.1058 43.9149 175.6257 82 A 4.3071 8.1018 128.2587 51.7323 20.2756 176.0907 83 T 4.1389 7.8787 108.6593 61.1245 70.2229 172.2271 84 P 4.1217 0.0000 0.0000 64.4598 31.4981 178.4354 85 S 4.1914 7.5725 112.8393 61.3311 62.9659 175.4698 86 Q 4.3026 8.7186 119.2700 57.3383 28.7207 176.3717 87 T 4.0988 7.5628 115.8102 64.4682 68.8899 173.4146 88 S 4.4634 8.4039 120.6354 58.2385 68.3402 174.1233 89 V 5.3634 7.0944 119.4587 61.1750 33.4385 175.6895 90 Y 5.3713 8.3886 125.0742 56.9809 41.8260 174.6812 91 F 5.9738 9.3145 117.4435 57.5503 43.8039 174.0367 92 C 4.3526 8.5249 117.9508 56.3169 31.8905 172.2679 93 A 4.8216 8.0364 120.5195 50.5658 22.6632 175.4643 94 S 5.2620 8.0031 115.4606 55.8369 66.8082 173.2600 95 G 4.5208 8.1993 104.3417 45.2110 0.0000 175.4210 96 G 4.0197 8.0714 123.3770 42.9107 0.0000 172.8884 97 G 4.3713 7.4722 116.7104 44.5505 0.0000 174.0287 98 G 3.8683 7.3066 107.3438 45.6383 0.0000 172.4214 *105 T 4.7762 7.5869 114.2057 61.4737 66.7207 173.1319 106 L 4.4796 7.9790 123.2420 55.2631 43.4041 176.8253 107 Y 4.6540 9.1565 118.8309 56.5355 41.1919 175.0858 108 F 4.9174 9.4564 123.0599 56.3417 41.1090 175.4823 109 G 4.2801 8.4130 107.8261 44.1273 0.0000 173.6231 110 A 3.9622 8.6838 121.2007 54.8554 18.8135 179.3850 111 G 3.8531 6.7683 100.0541 43.3676 0.0000 172.1878 112 T 4.8824 7.4748 115.1512 62.5563 73.2663 173.8548 113 R 4.8346 9.2234 126.3473 54.7800 31.0549 174.1585 114 L 5.6561 8.9869 126.9123 52.7478 44.4180 174.8913 115 S 4.9094 8.6854 122.4211 56.5715 65.7446 174.4397 116 V 5.4789 8.8954 127.7056 60.5625 30.0798 175.6086 *316 L 4.2428 7.6126 125.1741 54.7256 42.1212 177.5302 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 E 8.44 4.12 0.00 1.95 1.89 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 2.22 2.35 0.00 2 A 8.00 3.16 1.46 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 3 A 7.04 4.57 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 4 V 7.81 4.60 2.17 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 1.07 0.00 0.00 1.04 0.00 0.00 5 T 8.16 4.56 4.28 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 0.00 0.00 0.00 1.25 0.00 0.00 6 Q 8.52 4.47 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.47 2.61 0.00 7 S 8.61 5.08 0.00 3.79 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 8 P 0.00 4.53 0.00 2.08 2.08 0.00 3.85 0.00 0.00 3.66 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 9 R 8.78 4.31 0.00 1.80 2.01 0.00 3.08 0.00 0.00 3.36 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 10 N 7.97 5.47 0.00 2.57 2.69 0.00 0.00 6.60 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 11 K 9.33 4.63 0.00 1.79 1.60 0.00 1.46 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.42 7.81 12 V 8.34 5.50 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 0.85 0.00 0.00 0.94 0.00 0.00 13 A 8.03 4.47 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.22 4.97 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 0.85 0.00 0.00 0.91 0.00 0.00 15 T 8.43 3.89 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 1.25 0.00 0.00 16 G 9.02 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 0.00 0.00 0.00 17 G 7.56 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 18 K 8.23 5.00 0.00 1.90 1.63 0.00 1.57 0.00 0.00 2.61 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.19 7.81 19 V 8.23 4.33 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 0.90 0.00 0.00 0.87 0.00 0.00 20 T 8.08 4.86 4.18 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 0.00 0.00 0.00 1.14 0.00 0.00 21 L 7.82 4.09 0.00 1.70 1.70 0.53 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.30 5.04 0.00 4.00 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 23 C 8.13 5.69 0.00 3.03 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 24 N 8.21 5.37 0.00 2.71 2.76 0.00 0.00 6.55 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 25 Q 8.34 4.75 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.51 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 26 T 7.65 4.73 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 27 N 8.01 4.54 0.00 2.38 2.72 0.00 0.00 6.32 6.96 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 28 N 8.28 4.22 0.00 2.76 3.09 0.00 0.00 7.15 8.16 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 29 H 8.17 4.41 0.00 3.08 3.17 0.00 5.65 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 30 N 8.71 5.33 0.00 2.73 3.07 0.00 0.00 7.31 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 31 N 7.70 5.06 0.00 2.81 2.37 0.00 0.00 7.41 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 7.30 4.93 0.00 1.92 1.22 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 33 Y 9.61 5.61 0.00 2.70 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 34 W 8.57 5.04 0.00 3.40 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 35 Y 9.21 5.26 0.00 3.24 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 36 R 10.01 4.66 0.00 1.84 1.85 0.00 3.21 0.00 0.00 3.14 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.26 0.00 37 Q 8.96 4.38 0.00 2.34 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.50 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 38 D 8.51 5.14 0.00 2.63 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 0.00 0.00 0.00 0.00 39 T 8.48 4.14 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 1.22 0.00 0.00 40 G 9.28 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 0.00 0.00 0.00 0.00 41 H 7.74 4.67 0.00 3.08 3.35 0.00 5.97 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 42 G 7.91 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 43 L 8.21 4.32 0.00 1.45 1.46 0.78 0.33 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 44 R 8.59 4.89 0.00 1.86 1.85 0.00 3.12 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 45 L 8.94 4.05 0.00 1.28 1.58 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.95 4.42 1.86 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 0.52 0.47 0.80 0.00 0.00 47 H 8.09 5.04 0.00 3.14 3.34 0.00 5.75 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.05 5.23 0.00 2.18 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 49 S 8.27 4.63 0.00 3.51 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 50 Y 8.78 4.52 0.00 2.88 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 51 G 7.99 3.79 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 0.00 0.00 0.00 52 A 8.25 4.12 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 G 8.69 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 54 S 8.07 4.64 0.00 3.84 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 55 T 8.04 4.42 4.26 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 1.35 0.00 0.00 56 E 8.36 4.52 0.00 1.93 1.14 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 1.94 2.12 0.00 57 K 8.66 3.46 0.00 1.59 1.69 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.41 7.81 58 G 8.07 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 0.00 0.00 0.00 0.00 59 D 8.90 4.59 0.00 2.72 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 60 I 7.45 4.63 1.88 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 1.39 0.83 0.98 0.00 0.00 61 P 0.00 4.67 0.00 2.27 2.19 0.00 3.85 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 62 D 8.13 4.34 0.00 2.76 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 63 G 8.71 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 0.00 0.00 0.00 *65 Y 7.34 5.03 0.00 2.85 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 66 K 8.58 4.40 0.00 1.57 1.62 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.35 7.81 67 A 8.55 4.70 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 68 S 8.85 4.45 0.00 3.94 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 69 R 8.69 4.92 0.00 1.92 1.78 0.00 2.97 0.00 0.00 2.46 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 70 P 0.00 4.24 0.00 2.25 2.20 0.00 3.97 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 2.06 2.02 0.00 71 S 7.43 4.65 0.00 3.84 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 72 Q 8.35 3.65 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 73 E 8.19 3.92 0.00 2.00 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 0.00 2.31 2.38 0.00 74 N 7.83 5.08 0.00 2.72 2.84 0.00 0.00 6.85 7.55 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 75 F 8.77 5.63 0.00 2.91 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 76 S 8.92 4.98 0.00 3.79 3.93 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 77 L 7.32 4.37 0.00 0.27 0.34 0.70 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.18 4.49 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.76 0.82 0.00 0.00 79 L 7.66 4.97 0.00 1.49 1.30 0.78 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.13 3.69 0.00 1.89 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 2.24 2.23 0.00 81 L 7.47 4.65 0.00 1.55 1.47 0.88 0.97 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 82 A 8.10 4.31 1.24 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 83 T 7.88 4.14 4.20 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 1.16 0.00 0.00 84 P 0.00 4.12 0.00 2.26 2.52 0.00 3.91 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.92 0.00 85 S 7.57 4.19 0.00 4.07 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 86 Q 8.72 4.30 0.00 2.30 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 87 T 7.56 4.10 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 1.31 0.00 0.00 88 S 8.40 4.46 0.00 3.71 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 89 V 7.09 5.36 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 0.98 0.00 0.00 0.93 0.00 0.00 90 Y 8.39 5.37 0.00 3.26 3.33 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 91 F 9.31 5.97 0.00 3.09 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 92 C 8.52 4.35 0.00 1.54 1.18 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 0.00 0.00 0.00 0.00 93 A 8.04 4.82 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 5.26 0.00 4.07 4.20 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 95 G 8.20 4.52 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 0.00 96 G 8.07 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 97 G 7.47 4.37 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 0.00 98 G 7.31 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 0.00 0.00 0.00 *105 T 7.59 4.78 4.28 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 0.00 0.00 0.00 1.30 0.00 0.00 106 L 7.98 4.48 0.00 1.67 1.27 0.05 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 9.16 4.65 0.00 2.91 2.94 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 0.00 108 F 9.46 4.92 0.00 2.72 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 0.00 109 G 8.41 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.68 3.96 1.33 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 0.00 0.00 111 G 6.77 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 112 T 7.47 4.88 4.41 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 1.35 0.00 0.00 113 R 9.22 4.83 0.00 1.75 1.90 0.00 3.16 0.00 0.00 3.10 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 114 L 8.99 5.66 0.00 1.88 1.78 0.94 0.78 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 0.00 115 S 8.69 4.91 0.00 3.80 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 0.00 116 V 8.90 5.48 2.17 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 0.85 0.00 0.00 0.94 0.00 0.00 *316 L 7.61 4.24 0.00 1.67 1.59 0.92 0.92 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 * Residues marked with a * may have inaccurate shift predictions.