NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *9 K 4.1927 8.3144 122.1404 54.2707 33.7370 175.8284 10 C 4.1716 8.2887 121.3572 56.5033 31.3069 170.6810 11 P 4.2313 0.0000 0.0000 63.4176 33.4644 174.8494 12 L 4.9007 7.4213 122.3889 54.1034 44.5033 174.8467 13 M 5.0258 9.2782 125.8731 53.4757 36.5596 174.7507 14 V 4.8798 8.5187 123.0612 61.6872 35.3652 175.0613 15 K 5.0036 9.1081 130.0087 53.4140 35.7996 173.6372 16 V 4.7896 8.8881 124.5828 60.1721 34.8719 174.2034 17 L 5.0781 8.6812 126.7446 52.9553 45.4812 174.8138 18 D 5.1165 9.0285 122.0233 52.8337 42.2409 176.7521 19 A 4.2779 9.2424 128.6105 53.9656 18.6238 178.7609 20 V 3.8751 8.7737 115.6011 65.5771 31.8779 177.5093 21 R 4.1657 8.5367 116.3900 56.4261 30.6916 176.1604 22 G 3.8487 8.5450 105.6234 45.8435 0.0000 172.5832 23 S 4.7200 7.4796 111.4525 55.8507 67.1634 172.2404 24 P 4.5659 0.0000 0.0000 62.8626 32.0027 176.4293 25 A 4.3674 8.7100 125.6851 51.1741 19.4255 176.3676 26 I 4.4222 8.4297 122.5250 61.0123 39.2758 175.6409 27 N 4.1776 8.4291 121.0534 54.3437 36.6433 174.6459 28 V 4.0332 7.8451 118.5959 62.0318 32.7591 175.1632 29 A 4.5367 8.6188 130.0856 52.0544 20.0306 176.0999 30 V 4.7081 8.9383 120.7766 61.5227 35.1761 173.7672 31 H 5.1198 9.1814 124.7753 53.8645 31.8420 173.0876 32 V 4.8243 9.1421 123.5214 61.1399 34.1699 174.3761 33 F 5.5570 9.5057 125.3745 55.7263 43.3151 173.8707 34 R 4.7981 9.1435 120.4777 54.1404 33.2091 174.6822 35 K 4.1122 8.9230 126.4347 56.5117 32.4841 177.1277 36 A 4.3640 8.9664 128.3101 50.3279 20.4859 177.7940 37 A 3.6582 8.3529 121.8108 55.3050 17.7640 178.6370 38 D 4.3233 8.0836 116.2054 54.7590 39.7376 177.6281 *39 D 4.4638 8.9269 119.2158 53.9917 37.9817 178.8435 40 T 4.4341 6.8371 106.6370 60.4962 72.1579 173.6594 41 W 5.0319 8.5836 124.6905 56.5931 29.4364 176.5656 42 E 4.7066 9.2912 124.3760 54.7016 31.0605 171.1443 43 P 4.4511 0.0000 0.0000 62.8496 31.4513 175.4334 44 F 4.7901 9.0024 125.6390 59.4825 41.4567 174.8870 45 A 4.5079 7.6233 116.9073 51.4263 22.2339 175.0258 46 S 4.7386 7.9210 113.0700 57.3389 66.6452 173.4497 47 G 3.9017 7.9505 106.7816 45.6288 0.0000 171.9744 48 K 5.1614 8.2433 117.0907 55.0875 35.8338 176.4817 49 T 4.3374 8.7297 112.7110 62.0927 70.5012 174.6314 50 S 4.8579 8.5524 118.5658 57.3841 65.7652 174.3238 51 E 4.2594 8.9380 118.2240 59.1524 29.2407 177.8530 52 S 4.4068 7.7375 112.0179 57.8099 63.5084 175.1400 53 G 3.9928 8.7494 110.1619 45.1901 0.0000 172.8456 54 E 5.0832 7.4660 118.6603 54.3678 32.9092 174.9104 55 L 4.8646 8.6153 123.3852 53.9027 45.0226 175.1268 56 H 4.9032 8.7964 122.3316 54.3081 32.3925 174.0060 57 G 3.8819 8.7557 105.0133 46.5078 0.0000 175.0107 58 L 3.9866 7.9281 121.3068 57.4448 41.7117 176.5384 59 T 4.4797 7.2495 109.5183 61.2184 70.4673 171.7317 60 T 4.7888 8.0789 110.5503 59.3614 71.6166 174.6425 61 E 4.1595 8.8991 122.0717 59.7095 29.8429 178.5149 62 E 4.1574 8.3189 118.4230 59.2713 29.8424 177.6422 63 E 4.2903 8.2435 116.6896 58.5310 30.1650 177.4900 64 F 4.9858 8.1265 122.9001 57.2409 37.5925 174.5325 65 V 4.0123 7.5145 117.5202 59.7196 33.3394 175.5961 66 E 4.6280 8.0561 121.3384 55.8594 30.3057 176.5532 67 G 3.8170 7.8688 110.2417 46.6204 0.0000 170.2455 68 I 4.8447 7.2464 120.1873 59.9242 39.0513 174.9472 69 Y 4.9754 8.7227 124.8726 55.8531 41.4447 174.6863 70 K 4.7031 9.0572 123.6401 54.6414 35.1590 174.9659 71 V 4.5033 9.1549 128.9420 61.6202 33.0220 173.9263 72 E 4.8541 9.4951 130.7840 54.7634 31.4631 174.4200 73 I 4.4841 9.0455 129.1221 59.9962 39.4679 175.6785 74 D 4.9863 8.8029 129.7484 53.5821 38.4575 177.1339 75 T 3.9235 7.8152 114.4700 64.2116 69.5255 176.7226 76 K 4.1123 7.9119 122.2450 59.6552 32.1836 178.9803 77 S 4.2797 8.1381 114.8794 61.5283 62.5148 175.8734 78 Y 3.9695 7.5935 121.0959 60.6245 38.9471 178.0159 79 W 4.3198 8.6157 120.2248 59.5527 28.9185 178.6620 80 K 4.5650 8.8008 118.9945 59.1842 31.7053 178.8308 81 A 4.0418 7.9599 119.8979 54.9451 18.1355 179.2149 82 L 4.0726 7.3580 118.2485 56.7426 43.0639 177.8755 *84 I 3.9055 6.9307 115.3833 59.7285 36.8855 176.6384 85 S 4.5744 8.5214 119.5475 56.2083 62.9155 172.4431 86 P 4.4175 0.0000 0.0000 61.0017 33.0766 176.2661 87 F 3.8216 8.2639 120.8751 61.3016 39.2517 175.5800 88 H 4.5137 7.8518 115.8116 55.0909 29.5479 175.5544 89 E 4.0289 8.7024 121.8587 59.5642 29.5321 176.3012 90 H 4.8968 7.6680 110.0367 55.9182 31.3951 172.6744 91 A 4.4671 8.6547 123.1106 50.6034 20.9925 176.1151 92 E 4.8877 8.9051 120.4624 54.7180 32.8856 172.4995 93 V 4.3675 8.8731 126.4532 60.3418 33.4801 174.4589 94 V 5.1504 8.4707 128.2526 61.1042 33.7853 174.4846 95 F 5.1137 8.7121 121.2298 55.9771 41.5215 173.4494 96 T 4.7061 8.7484 117.5383 63.5345 69.3498 173.8603 97 A 4.7158 9.0223 127.3144 50.6020 22.5797 175.8118 98 N 4.8556 9.0113 115.4167 54.0359 36.5578 175.2744 99 D 4.5861 8.3020 117.0536 55.5292 41.6665 176.6052 100 S 4.6358 8.1695 113.8805 58.8703 63.8418 173.8946 101 G 3.9609 8.2167 106.5534 43.6761 0.0000 171.8211 102 P 4.7827 0.0000 0.0000 62.9774 31.6925 175.7171 103 R 4.8224 8.8366 119.3229 55.1868 34.8932 173.7164 104 H 5.3259 8.9695 117.2459 54.4805 31.6426 173.5379 105 Y 5.0419 9.1356 119.6847 56.4892 41.5116 174.4869 106 T 4.9305 8.9254 120.9015 61.8614 71.4857 173.2728 107 I 4.5958 9.0912 128.1124 59.8930 38.7789 174.5502 108 A 5.2236 8.9861 129.8971 50.3368 21.5971 175.4385 109 A 5.0844 8.8768 121.7900 50.1188 23.3096 174.7809 110 L 5.1057 9.1513 123.8324 53.2788 44.7999 174.9682 111 L 5.3639 8.9359 126.5054 53.3000 44.5061 175.8577 112 S 5.2535 9.5730 118.7580 56.0979 67.0053 173.4171 113 P 3.1979 0.0000 0.0000 65.1258 31.1416 177.7052 114 Y 4.5876 7.7145 112.6118 57.0943 38.6008 174.9686 115 S 4.6980 8.0092 112.8066 57.6202 65.7212 173.0377 116 Y 5.5946 7.8154 123.2508 55.7587 41.1343 173.7416 117 S 4.9784 9.2323 114.1646 57.0656 66.9228 172.6606 118 T 5.2099 8.3797 113.9447 61.1015 70.4937 172.9156 119 T 4.8314 9.0310 123.0446 61.7668 73.1652 172.4332 120 A 5.0886 8.6081 126.0238 50.1778 21.4404 176.0271 121 V 4.2267 8.7329 122.6492 61.0748 33.9222 174.4121 122 V 4.6358 8.4150 128.3214 61.2551 33.2458 174.5394 123 T 4.6098 8.6024 117.3900 59.8552 72.6309 172.6197 124 N 4.9406 8.5734 122.9464 51.2288 40.2002 173.0082 *125 P 4.4578 0.0000 0.0000 62.1522 30.7995 174.5342 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 *9 K 8.31 4.19 0.00 1.63 1.79 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.54 7.81 10 C 8.29 4.17 0.00 2.99 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.23 0.00 2.42 2.34 0.00 3.71 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 1.83 2.03 0.00 12 L 7.42 4.90 0.00 0.70 1.09 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.28 5.03 0.00 1.83 1.83 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 14 V 8.52 4.88 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 0.96 0.00 0.00 0.88 0.00 0.00 15 K 9.11 5.00 0.00 1.41 1.60 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.25 1.22 7.81 16 V 8.89 4.79 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.79 0.00 0.00 17 L 8.68 5.08 0.00 1.62 1.52 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.03 5.12 0.00 2.65 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 19 A 9.24 4.28 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 20 V 8.77 3.88 2.60 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 0.93 0.00 0.00 1.05 0.00 0.00 21 R 8.54 4.17 0.00 1.93 2.03 0.00 3.82 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 22 G 8.54 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 23 S 7.48 4.72 0.00 3.88 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 24 P 0.00 4.57 0.00 2.05 2.17 0.00 3.67 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 2.03 2.10 0.00 25 A 8.71 4.37 0.71 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 0.00 0.00 26 I 8.43 4.42 1.91 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 1.34 0.65 0.96 0.00 0.00 27 N 8.43 4.18 0.00 2.92 2.91 0.00 0.00 6.91 7.84 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 28 V 7.85 4.03 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 0.80 0.00 0.00 0.49 0.00 0.00 29 A 8.62 4.54 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 30 V 8.94 4.71 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 0.96 0.00 0.00 0.91 0.00 0.00 31 H 9.18 5.12 0.00 3.12 2.75 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 9.14 4.82 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 1.00 0.00 0.00 0.95 0.00 0.00 33 F 9.51 5.56 0.00 2.81 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 34 R 9.14 4.80 0.00 1.31 1.67 0.00 2.76 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.50 0.00 35 K 8.92 4.11 0.00 1.40 1.38 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.42 0.21 7.81 36 A 8.97 4.36 1.20 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 0.00 0.00 37 A 8.35 3.66 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 38 D 8.08 4.32 0.00 2.91 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.93 4.46 0.00 2.76 2.72 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 40 T 6.84 4.43 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 41 W 8.58 5.03 0.00 3.01 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 42 E 9.29 4.71 0.00 1.65 1.81 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 2.20 2.16 0.00 43 P 0.00 4.45 0.00 1.97 2.04 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.33 0.00 44 F 9.00 4.79 0.00 3.01 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 45 A 7.62 4.51 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 46 S 7.92 4.74 0.00 3.58 3.56 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 47 G 7.95 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 0.00 0.00 0.00 48 K 8.24 5.16 0.00 1.77 1.68 0.00 1.58 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.39 7.81 49 T 8.73 4.34 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 1.15 0.00 0.00 50 S 8.55 4.86 0.00 3.89 4.07 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 51 E 8.94 4.26 0.00 1.98 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 0.00 2.31 2.24 0.00 52 S 7.74 4.41 0.00 3.96 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 53 G 8.75 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 0.00 0.00 0.00 54 E 7.47 5.08 0.00 2.03 1.71 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 2.19 2.36 0.00 55 L 8.62 4.86 0.00 1.61 1.37 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.80 4.90 0.00 3.00 3.15 0.00 5.84 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.76 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.93 3.99 0.00 1.55 1.69 0.85 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.25 4.48 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 1.00 0.00 0.00 60 T 8.08 4.79 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 1.21 0.00 0.00 61 E 8.90 4.16 0.00 2.06 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 0.00 2.47 2.39 0.00 62 E 8.32 4.16 0.00 1.98 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 2.38 0.00 63 E 8.24 4.29 0.00 2.40 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 0.00 2.34 2.11 0.00 64 F 8.13 4.99 0.00 3.12 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 65 V 7.51 4.01 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 0.85 0.00 0.00 1.01 0.00 0.00 66 E 8.06 4.63 0.00 1.95 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 2.46 2.21 0.00 67 G 7.87 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 0.00 0.00 0.00 68 I 7.25 4.84 1.74 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.63 1.06 0.00 0.00 69 Y 8.72 4.98 0.00 1.80 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.06 4.70 0.00 0.79 0.77 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.06 0.92 7.81 71 V 9.15 4.50 2.21 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 0.96 0.00 0.00 1.14 0.00 0.00 72 E 9.50 4.85 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 2.30 1.93 0.00 73 I 9.05 4.48 1.70 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 1.15 0.43 0.75 0.00 0.00 74 D 8.80 4.99 0.00 2.80 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 75 T 7.82 3.92 4.42 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 1.09 0.00 0.00 76 K 7.91 4.11 0.00 2.18 1.93 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.53 7.81 77 S 8.14 4.28 0.00 3.95 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 78 Y 7.59 3.97 0.00 2.76 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 79 W 8.62 4.32 0.00 3.46 3.28 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 80 K 8.80 4.57 0.00 2.05 1.90 0.00 1.81 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.19 7.81 81 A 7.96 4.04 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 82 L 7.36 4.07 0.00 1.74 1.70 0.06 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 *84 I 6.93 3.91 1.87 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 1.41 0.74 0.82 0.00 0.00 85 S 8.52 4.57 0.00 3.86 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 86 P 0.00 4.42 0.00 2.19 1.88 0.00 3.77 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 1.99 2.19 0.00 87 F 8.26 3.82 0.00 1.81 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 88 H 7.85 4.51 0.00 3.35 3.51 0.00 5.95 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.70 4.03 0.00 1.70 1.81 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 2.25 2.12 0.00 90 H 7.67 4.90 0.00 3.21 3.24 0.00 5.11 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.65 4.47 0.20 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 0.00 0.00 92 E 8.91 4.89 0.00 1.72 1.72 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 2.11 1.83 0.00 93 V 8.87 4.37 2.19 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 0.80 0.00 0.00 0.96 0.00 0.00 94 V 8.47 5.15 2.20 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 1.13 0.00 0.00 0.86 0.00 0.00 95 F 8.71 5.11 0.00 3.14 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 96 T 8.75 4.71 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 1.30 0.00 0.00 97 A 9.02 4.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 N 9.01 4.86 0.00 2.74 2.87 0.00 0.00 6.89 7.78 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 99 D 8.30 4.59 0.00 2.64 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 0.00 100 S 8.17 4.64 0.00 3.88 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 0.00 101 G 8.22 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 0.00 102 P 0.00 4.78 0.00 2.26 2.13 0.00 3.73 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 2.01 2.02 0.00 103 R 8.84 4.82 0.00 1.37 1.53 0.00 3.33 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 104 H 8.97 5.33 0.00 2.98 3.15 0.00 5.57 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 0.00 105 Y 9.14 5.04 0.00 2.85 2.72 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 0.00 106 T 8.93 4.93 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 1.18 0.00 0.00 107 I 9.09 4.60 1.83 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.04 0.87 0.00 0.00 108 A 8.99 5.22 1.20 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 0.00 0.00 109 A 8.88 5.08 1.13 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 0.00 0.00 110 L 9.15 5.11 0.00 1.76 1.57 0.97 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.94 5.36 0.00 1.70 1.92 0.37 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 112 S 9.57 5.25 0.00 3.91 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 0.00 113 P 0.00 3.20 0.00 2.08 1.64 0.00 3.32 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.44 0.00 114 Y 7.71 4.59 0.00 2.79 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 0.00 115 S 8.01 4.70 0.00 3.89 3.71 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 0.00 116 Y 7.82 5.59 0.00 3.08 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 0.00 117 S 9.23 4.98 0.00 3.90 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 0.00 118 T 8.38 5.21 4.36 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 1.33 0.00 0.00 119 T 9.03 4.83 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 0.00 120 A 8.61 5.09 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 0.00 121 V 8.73 4.23 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 0.98 0.00 0.00 0.91 0.00 0.00 122 V 8.42 4.64 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 0.51 0.00 0.00 0.92 0.00 0.00 123 T 8.60 4.61 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 1.16 0.00 0.00 124 N 8.57 4.94 0.00 2.65 2.70 0.00 0.00 6.87 7.69 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 *125 P 0.00 4.46 0.00 2.13 1.82 0.00 3.83 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 1.94 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.