NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3238 8.1733 120.1262 56.5208 33.3992 175.5517 3 N 4.6796 8.8053 118.5565 51.5832 38.3486 172.9130 4 Y 4.8651 7.9902 116.6811 56.3683 41.9267 173.4991 5 Q 4.2205 8.3265 118.2019 54.1423 32.6914 174.1808 6 K 4.6115 8.0950 120.9181 54.6781 35.8899 175.1700 *8 S 4.2426 8.2613 115.6735 58.1841 63.7471 173.7209 9 V 4.2994 8.0568 122.6421 60.4473 33.9611 175.3077 10 A 4.1506 8.4025 129.4576 52.0047 19.0314 177.6394 11 Q 3.9948 8.7695 121.3728 58.8561 29.0310 177.8376 12 D 4.8331 7.8545 115.8008 53.7093 41.8400 175.4401 13 A 4.5458 7.5927 120.9869 50.8426 20.5569 177.6940 14 R 4.9285 8.2192 120.0909 54.0981 31.6799 175.9312 15 V 4.5630 8.0808 115.8840 60.2041 36.7529 173.1657 16 E 5.0581 8.6241 120.7821 54.9513 31.5602 176.5562 17 L 4.3069 9.1019 122.9989 56.0711 42.7406 178.1667 18 H 3.9897 8.6570 119.3090 59.7205 29.6632 176.8757 19 D 4.3888 8.1635 118.2209 57.4016 41.0599 179.1156 20 S 4.1557 8.1295 113.9341 60.7373 62.9221 174.8194 21 L 4.4743 8.0366 117.1770 53.4149 42.5535 175.7651 22 A 3.6692 7.3316 120.0273 53.0401 16.3166 177.8754 23 L 4.2253 7.8372 120.5608 55.4882 42.5407 178.1066 24 T 4.5826 8.4225 108.9721 61.0382 70.1174 174.5494 25 G 3.9471 7.6982 108.6149 45.0153 0.0000 171.7889 26 A 4.5861 7.1691 119.5066 51.5368 22.3327 174.9634 27 E 4.7316 8.7428 119.2689 54.5177 33.2177 174.6270 28 V 4.9494 8.4411 125.5639 61.0718 34.8243 173.8442 29 S 5.1778 8.8503 122.6470 56.5567 65.9362 172.8698 30 I 4.7010 8.5152 124.6995 59.6362 39.2314 174.3512 31 N 5.2680 8.1869 124.7380 52.7558 43.2102 172.1736 32 H 5.0248 8.2105 113.2328 54.7572 31.0271 173.1113 33 L 4.9582 8.7290 121.0965 52.2099 44.8538 174.5918 34 P 4.8128 0.0000 0.0000 61.8527 33.1332 175.3852 35 A 4.4111 7.9891 122.4320 53.3490 18.4464 178.4210 36 G 3.8564 9.0875 109.7041 45.5974 0.0000 173.1150 37 A 4.7034 7.4385 122.6997 50.4803 21.4837 175.6990 38 G 4.1897 7.8679 106.3231 44.6047 0.0000 173.7438 39 V 3.5182 8.0629 120.3382 62.3501 31.5314 174.9447 40 P 4.6110 0.0000 0.0000 63.5681 31.1439 175.3120 41 F 4.9699 7.1563 112.8495 55.8811 41.0024 173.2735 42 V 4.8193 8.3418 120.8174 61.7301 33.4713 174.0965 43 H 5.1774 8.9117 121.1164 54.7863 32.4591 172.1028 44 S 5.4232 8.3540 112.8282 55.9864 66.2558 172.3809 45 H 5.0109 9.0823 115.7562 54.1351 32.1985 174.4145 46 K 4.2176 8.8637 121.7783 59.3060 32.3046 178.2270 47 Q 4.6011 7.8678 111.6990 55.5954 31.3275 173.5902 48 N 5.2201 8.1131 118.7028 52.1034 40.6405 174.1550 49 E 4.3449 9.4055 125.2302 55.9545 31.5395 174.7801 50 E 5.2649 8.9952 125.2433 54.4534 33.4224 174.2719 51 I 5.1919 8.9989 127.3600 59.9113 40.2060 173.9276 52 Y 5.0140 9.4809 125.5040 56.1444 40.7955 175.1449 53 G 2.5314 8.5575 110.1967 43.7583 0.0000 171.6041 54 I 4.5394 7.9498 127.9062 60.6692 37.4992 176.8676 55 L 4.2640 8.8050 128.9662 57.1456 42.5042 177.0901 56 S 4.3407 8.1468 111.3196 58.2720 66.4196 175.7213 57 G 4.0407 9.1484 107.7465 45.8715 0.0000 172.4587 58 K 4.7651 7.3432 117.7693 55.9258 36.5226 175.1975 59 G 3.8439 7.6929 107.3634 46.0292 0.0000 172.0824 60 F 5.3557 8.1440 120.3173 56.2293 44.3982 173.6600 61 I 4.8358 8.7995 120.2422 59.8626 41.6255 173.7342 62 T 4.8377 8.9039 126.6041 62.1561 70.5430 173.6291 63 I 4.6623 8.8221 127.9007 59.4710 39.6547 175.8723 64 D 4.5243 9.9324 130.1481 55.4023 38.7007 175.7740 65 G 3.9271 8.1807 105.5587 45.1759 0.0000 172.5047 66 E 4.6084 7.9419 122.0183 54.3644 31.3255 174.5972 67 K 4.8636 8.5812 126.5868 55.6841 34.4696 175.6948 68 I 4.5743 8.8569 125.6819 59.2638 39.6452 175.0988 69 E 4.7391 8.9426 126.2436 56.5277 30.3163 176.2217 70 L 5.1658 8.7918 122.6307 53.2506 46.1593 175.4892 71 Q 4.9253 9.0861 118.2938 54.4056 32.5666 173.6753 72 A 4.2170 7.9822 122.5052 54.4945 18.6249 178.4234 73 G 4.1201 8.8941 111.2279 44.9917 0.0000 173.4709 74 D 4.7879 7.9387 120.5723 53.7544 42.1620 175.5899 75 W 5.3359 8.8005 121.6466 54.9910 32.7287 174.6583 76 L 4.9940 9.4236 122.9286 53.0645 45.9283 175.1469 77 R 5.1495 8.6961 121.3841 54.7307 32.5811 175.0415 78 I 4.6816 8.9486 126.1427 59.2595 40.7413 175.1599 79 A 4.3916 8.6747 128.4674 51.2777 19.5530 175.9948 80 P 4.2944 0.0000 0.0000 66.1675 31.6254 178.8356 81 D 4.5269 8.3823 116.7049 56.4708 40.7588 177.0771 82 G 3.7308 8.0261 108.1023 46.3181 0.0000 172.8417 83 K 5.0350 9.2697 125.4392 55.2766 33.4792 176.0882 84 R 5.4949 8.4314 121.6009 53.7621 33.3789 175.0200 85 Q 4.2180 8.0502 117.8860 55.7744 31.8217 172.6225 86 I 4.7689 8.0305 127.6724 60.0836 40.4416 174.1559 87 S 4.9962 8.7741 119.8848 57.0570 66.6003 173.5301 88 A 4.7102 8.9139 123.8166 51.0765 19.6049 177.2136 89 A 4.2606 8.2737 121.8036 51.5898 19.2095 179.1252 90 S 4.1236 8.8116 114.4468 60.6759 62.5835 174.7845 91 D 4.9389 7.7109 116.9230 52.3880 39.2660 175.2178 92 S 4.6772 7.2592 111.7624 57.2245 65.9966 172.9109 93 P 4.7216 0.0000 0.0000 62.5288 33.5847 174.3159 94 I 5.0088 8.7836 118.9847 59.4233 41.7514 173.6317 95 G 4.5914 9.1629 116.2102 44.4370 0.0000 171.8860 96 F 5.4893 8.6477 118.6209 55.6544 42.1650 172.8538 97 L 5.1497 9.1212 119.3272 53.1503 44.8874 175.8045 98 C 4.5646 8.6827 119.8718 58.0535 31.2650 172.9878 99 I 4.7058 8.8034 126.5582 59.8312 38.7441 174.7440 100 Q 5.0151 9.1099 129.6563 54.5258 30.9359 174.7317 101 V 4.8261 8.5469 118.7452 59.1379 37.0862 174.5972 102 K 4.8150 8.9210 124.6477 55.7072 33.0661 176.1548 103 A 4.1421 8.6801 131.6679 53.7257 18.7159 177.5474 104 G 3.9695 8.8592 109.8466 45.9030 0.0000 174.6224 105 S 4.3014 7.8345 114.4522 59.8686 63.6288 174.7921 106 L 4.2560 7.8420 123.1992 54.8988 44.0490 173.2472 107 E 4.3943 9.0822 122.7392 56.4928 29.6569 179.3728 108 G 3.9068 9.2540 111.2502 46.4700 0.0000 172.5062 109 Y 4.6900 8.4831 116.4719 57.1587 40.9621 175.5700 110 T 3.4186 8.6257 118.7168 66.0159 68.0024 173.9351 *112 T 4.3177 7.7085 107.7909 60.8132 70.0284 173.4169 113 D 4.6946 7.8774 119.3447 55.3539 46.4083 175.8134 114 G 3.7959 8.5948 108.6152 44.9515 0.0000 173.2007 115 V 4.2577 7.9778 120.5969 60.4655 33.6755 175.4640 116 V 3.7964 8.3126 127.3400 62.7619 32.1737 175.7947 117 Q 4.4996 8.2564 125.2290 54.7681 30.9670 175.8831 118 L 4.3534 8.2029 117.8375 55.5238 42.4046 176.5824 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 2 K 8.17 4.32 0.00 1.68 1.64 0.00 1.55 0.00 0.00 1.81 0.00 0.00 3.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.76 7.81 3 N 8.81 4.68 0.00 2.90 2.90 0.00 0.00 6.77 6.57 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 4 Y 7.99 4.87 0.00 3.06 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 5 Q 8.33 4.22 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.82 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 6 K 8.10 4.61 0.00 1.88 1.77 0.00 1.85 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.49 7.81 *8 S 8.26 4.24 0.00 3.93 3.82 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 9 V 8.06 4.30 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 0.78 0.00 0.00 0.91 0.00 0.00 10 A 8.40 4.15 1.25 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 11 Q 8.77 3.99 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.47 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 12 D 7.85 4.83 0.00 2.70 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 13 A 7.59 4.55 1.25 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 14 R 8.22 4.93 0.00 1.68 1.84 0.00 3.26 0.00 0.00 4.01 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 15 V 8.08 4.56 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 0.71 0.00 0.00 0.90 0.00 0.00 16 E 8.62 5.06 0.00 1.81 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 2.20 2.28 0.00 17 L 9.10 4.31 0.00 1.82 1.70 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.66 3.99 0.00 3.35 3.38 0.00 5.58 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.16 4.39 0.00 2.77 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 20 S 8.13 4.16 0.00 3.85 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 L 8.04 4.47 0.00 1.72 1.66 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 22 A 7.33 3.67 1.29 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 0.00 0.00 0.00 23 L 7.84 4.23 0.00 1.62 1.63 0.98 0.83 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 24 T 8.42 4.58 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 1.24 0.00 0.00 25 G 7.70 3.95 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 0.00 0.00 0.00 26 A 7.17 4.59 1.23 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 27 E 8.74 4.73 0.00 2.08 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 0.00 2.19 2.26 0.00 28 V 8.44 4.95 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 1.05 0.00 0.00 0.95 0.00 0.00 29 S 8.85 5.18 0.00 3.87 3.90 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 30 I 8.52 4.70 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.96 0.76 0.00 0.00 31 N 8.19 5.27 0.00 2.52 1.77 0.00 0.00 6.34 7.21 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 32 H 8.21 5.02 0.00 3.22 3.05 0.00 5.53 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.73 4.96 0.00 1.68 1.62 1.06 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.81 0.00 2.10 2.15 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 35 A 7.99 4.41 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 36 G 9.09 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 0.00 0.00 0.00 37 A 7.44 4.70 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 38 G 7.87 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 39 V 8.06 3.52 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 0.18 0.00 0.00 0.90 0.00 0.00 40 P 0.00 4.61 0.00 2.34 2.21 0.00 3.77 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.08 0.00 41 F 7.16 4.97 0.00 3.12 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 42 V 8.34 4.82 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 0.87 0.00 0.00 0.97 0.00 0.00 43 H 8.91 5.18 0.00 3.34 3.67 0.00 5.26 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.35 5.42 0.00 4.07 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 45 H 9.08 5.01 0.00 3.18 3.25 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.86 4.22 0.00 1.78 1.88 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.44 7.81 47 Q 7.87 4.60 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 48 N 8.11 5.22 0.00 2.62 2.71 0.00 0.00 6.75 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 49 E 9.41 4.34 0.00 2.02 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 2.33 2.29 0.00 50 E 9.00 5.26 0.00 2.14 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 2.23 2.37 0.00 51 I 9.00 5.19 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.57 1.25 0.00 0.00 52 Y 9.48 5.01 0.00 2.73 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 53 G 8.56 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 0.00 0.00 0.00 54 I 7.95 4.54 1.80 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.38 0.92 0.00 0.00 55 L 8.81 4.26 0.00 1.58 1.70 0.87 1.08 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 56 S 8.15 4.34 0.00 3.85 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 57 G 9.15 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 58 K 7.34 4.77 0.00 1.90 1.77 0.00 1.29 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.25 1.23 7.81 59 G 7.69 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 60 F 8.14 5.36 0.00 2.89 2.80 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 61 I 8.80 4.84 1.63 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.32 0.77 0.00 0.00 62 T 8.90 4.84 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 1.21 0.00 0.00 63 I 8.82 4.66 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.88 0.86 0.00 0.00 64 D 9.93 4.52 0.00 2.76 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 65 G 8.18 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 0.00 0.00 0.00 66 E 7.94 4.61 0.00 2.04 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 2.20 2.21 0.00 67 K 8.58 4.86 0.00 1.72 1.70 0.00 1.14 0.00 0.00 1.29 0.00 0.00 2.69 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.20 1.36 7.81 68 I 8.86 4.57 1.84 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 1.19 0.89 0.91 0.00 0.00 69 E 8.94 4.74 0.00 1.90 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 2.83 2.51 0.00 70 L 8.79 5.17 0.00 1.29 1.36 0.75 0.63 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 71 Q 9.09 4.93 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 72 A 7.98 4.22 1.27 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 0.00 0.00 0.00 73 G 8.89 4.12 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 0.00 74 D 7.94 4.79 0.00 2.64 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 75 W 8.80 5.34 0.00 3.14 3.15 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 0.00 0.00 0.00 76 L 9.42 4.99 0.00 1.59 1.50 0.89 0.43 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 77 R 8.70 5.15 0.00 1.85 1.82 0.00 3.32 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 1.54 1.66 0.00 78 I 8.95 4.68 1.95 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 1.10 0.53 0.89 0.00 0.00 79 A 8.67 4.39 1.25 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 80 P 0.00 4.29 0.00 2.11 2.28 0.00 3.62 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 2.15 2.25 0.00 81 D 8.38 4.53 0.00 2.67 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 82 G 8.03 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 83 K 9.27 5.03 0.00 1.80 1.75 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.37 7.81 84 R 8.43 5.49 0.00 1.60 1.84 0.00 3.24 0.00 0.00 3.15 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.27 0.00 85 Q 8.05 4.22 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 86 I 8.03 4.77 1.50 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.13 0.64 0.00 0.00 87 S 8.77 5.00 0.00 4.05 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 88 A 8.91 4.71 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 89 A 8.27 4.26 1.25 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 90 S 8.81 4.12 0.00 3.91 3.97 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 91 D 7.71 4.94 0.00 2.80 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 92 S 7.26 4.68 0.00 3.85 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 93 P 0.00 4.72 0.00 2.17 2.18 0.00 3.70 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 1.96 0.00 94 I 8.78 5.01 2.08 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 1.31 1.53 1.03 0.00 0.00 95 G 9.16 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.65 5.49 0.00 3.06 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 97 L 9.12 5.15 0.00 1.40 1.54 1.00 0.97 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 98 C 8.68 4.56 0.00 2.69 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 99 I 8.80 4.71 1.93 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 1.17 0.76 0.94 0.00 0.00 100 Q 9.11 5.02 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 101 V 8.55 4.83 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 0.70 0.00 0.00 0.94 0.00 0.00 102 K 8.92 4.81 0.00 1.85 1.71 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.31 7.81 103 A 8.68 4.14 1.29 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 0.00 0.00 0.00 104 G 8.86 3.97 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 0.00 0.00 0.00 105 S 7.83 4.30 0.00 4.05 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 0.00 106 L 7.84 4.26 0.00 1.58 1.59 0.94 0.55 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 0.00 107 E 9.08 4.39 0.00 2.00 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 2.23 2.29 0.00 108 G 9.25 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 0.00 109 Y 8.48 4.69 0.00 3.00 2.89 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 0.00 110 T 8.63 3.42 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 *112 T 7.71 4.32 4.15 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 0.00 0.00 1.08 0.00 0.00 113 D 7.88 4.69 0.00 2.69 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.59 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 0.00 0.00 0.00 115 V 7.98 4.26 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 0.83 0.00 0.00 0.93 0.00 0.00 116 V 8.31 3.80 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 0.92 0.00 0.00 117 Q 8.26 4.50 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.61 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 118 L 8.20 4.35 0.00 1.58 1.50 0.92 0.77 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 * Residues marked with a * may have inaccurate shift predictions.