NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 D 4.4708 8.3644 120.1896 53.9541 43.0087 175.2598 10 V 3.8646 7.5591 118.7092 60.1563 31.9635 173.0744 11 P 4.2495 0.0000 0.0000 62.7057 32.7230 175.2087 12 D 4.3131 9.1831 122.2840 54.3470 39.2084 179.9587 13 M 2.7682 7.8824 121.8166 55.1211 35.9930 178.5197 14 G 4.0182 7.3696 110.2032 47.8285 0.0000 174.6436 15 R 4.4939 8.9117 119.0057 56.8915 32.1156 178.5124 16 R 3.9522 8.3725 117.9461 59.6277 30.0009 178.8855 17 Q 3.7577 8.2190 116.9385 59.4050 28.5490 178.0737 18 F 4.1594 7.9838 121.7010 60.6703 39.4045 176.6505 19 M 3.8227 8.4477 117.8178 59.5095 31.9005 177.7901 20 N 4.0740 9.7779 117.9405 54.6867 38.6070 177.9115 21 L 3.6856 7.8589 119.9046 57.7424 43.1502 179.6792 22 L 3.7745 7.7425 119.0697 57.8307 41.6842 179.4025 23 A 4.0484 7.7344 120.6457 55.1103 18.4365 179.7531 24 F 4.8680 9.2067 117.7146 60.6472 39.1324 177.8822 25 G 3.7251 8.0943 105.2217 48.3385 0.0000 175.6835 26 T 3.9466 8.2450 112.7068 63.9197 68.8033 176.3732 27 V 3.7198 8.5399 121.6506 66.5165 31.6741 177.9088 28 T 3.9461 7.7212 115.3547 66.7440 68.2930 175.9736 29 G 3.9332 7.9483 107.1872 48.2575 0.0000 175.6835 30 V 3.6188 7.8994 120.5570 65.3792 31.5063 178.0236 31 A 3.9686 7.7451 120.0458 55.0866 18.3949 179.4807 32 L 4.0302 8.7702 117.9625 58.9300 41.5444 179.8453 33 G 3.8555 7.8668 102.4335 47.9163 0.0000 175.0442 34 A 4.1981 8.3789 124.4333 54.5600 18.4183 179.0974 35 L 4.0717 8.4051 117.7480 58.3465 41.6044 179.1678 36 Y 4.1935 8.2242 119.2916 60.3928 38.8403 176.6509 37 P 3.9662 0.0000 0.0000 65.6160 31.2945 177.9056 38 L 4.1819 7.4622 118.1813 57.4407 42.1492 178.7341 39 V 4.0696 7.8250 118.3817 65.5577 31.9246 178.0144 40 K 3.8795 7.7984 117.5735 59.3195 31.4860 178.3381 41 Y 4.0354 8.1788 119.6211 60.9584 38.7870 178.2475 42 F 4.3472 8.0260 116.3663 59.0213 39.0381 175.6630 43 I 3.9987 7.0411 118.7650 59.7121 36.7907 174.2007 44 P 4.3143 0.0000 0.0000 61.7534 31.6792 174.5133 45 P 4.1703 0.0000 0.0000 62.6393 31.9600 176.3956 46 S 4.3192 8.6586 118.1832 57.7519 63.2164 175.2031 47 G 3.5131 8.8361 115.7145 48.3239 0.0000 174.4384 48 G 3.7157 8.7763 107.1227 48.2088 0.0000 175.3077 49 A 3.4024 7.1438 114.8280 51.4459 20.9034 180.2700 50 V 4.0660 8.5485 116.1161 62.1912 30.7400 173.5574 *54 T 4.2684 7.2766 112.3468 61.3815 71.2392 173.1071 55 T 4.5622 8.5668 118.3923 63.7604 68.7873 174.6018 56 A 4.1529 8.5408 129.3608 52.2327 20.1963 176.0468 57 K 4.5699 8.3118 115.8696 55.3977 36.9439 175.2241 58 D 4.7296 8.5231 122.4478 52.9449 42.8628 176.4904 59 K 3.7338 9.0075 119.7091 59.9228 32.6624 178.0074 60 L 3.9763 7.9211 119.2620 59.4169 41.7311 177.5228 61 G 3.3833 7.1245 105.5038 45.0003 0.0000 172.7447 62 N 4.8109 7.9895 118.7416 51.3801 40.2814 176.0300 63 N 4.5937 9.0447 122.1617 58.4459 37.6075 178.7408 64 V 3.1468 6.8279 113.2020 63.5243 29.5408 173.5426 65 K 4.4548 8.1859 129.4321 55.1933 32.3863 178.4334 66 V 3.4480 8.7015 125.2400 65.7171 30.7049 177.8072 67 S 4.2045 8.4532 115.0649 59.7632 62.8271 175.4539 68 K 4.7228 7.7583 120.1039 56.0934 32.8610 177.0905 69 F 4.6469 8.1573 123.0670 60.6951 40.0852 176.3919 70 L 3.7331 9.6310 115.7704 58.9677 41.0277 180.9199 71 E 3.6012 6.2458 115.0690 57.1647 30.4117 177.7426 72 S 4.7198 7.4592 108.0185 57.7942 63.8839 172.9720 73 H 4.9443 7.5530 119.4063 54.5818 32.1849 174.9632 74 N 4.8643 8.1854 117.3501 53.5870 37.8060 177.8519 75 A 4.4435 8.7502 133.1087 55.2024 20.1311 175.2264 76 G 4.0129 9.3720 111.1504 46.3151 0.0000 172.5288 77 D 4.5867 7.6760 119.5335 53.6543 42.9236 176.9722 78 R 4.4711 8.1095 116.1510 55.9340 31.0966 174.4287 79 V 4.6602 8.2291 117.8314 58.9259 34.7570 175.9501 80 L 4.4188 8.9358 124.6063 55.3507 42.7214 176.7883 81 V 4.2035 7.7298 116.0803 62.3053 36.0371 169.6780 82 Q 4.2043 9.1415 128.9054 55.9740 28.8352 179.2237 83 G 4.3601 9.1433 119.8856 44.7415 0.0000 170.8569 84 L 4.7179 8.2041 122.5421 54.0425 43.3962 176.1549 85 K 3.6878 9.1563 120.5232 56.5151 30.6989 176.5294 86 G 4.4881 8.1911 102.5436 45.7797 0.0000 173.7333 87 D 4.4495 7.3883 118.8680 53.9772 42.1388 174.4014 88 P 4.6182 0.0000 0.0000 62.7867 32.7199 175.3771 89 T 4.7088 8.6285 120.5550 61.4893 71.9673 172.9370 90 Y 4.5383 8.5721 124.7852 58.6535 38.9461 175.2625 91 I 4.4058 8.6365 126.3351 59.5839 39.2784 175.2738 92 V 4.0069 8.1158 128.2664 61.6955 32.7173 175.1761 93 V 3.8959 7.9151 129.7115 63.0583 31.9454 175.0292 94 E 4.6760 8.4476 128.5967 54.6313 31.5403 176.5436 95 S 4.5785 8.4143 115.9649 58.6121 63.3680 175.4153 96 K 4.5302 7.5365 116.8999 54.7905 32.6488 176.2437 97 E 3.9604 8.0738 116.2296 56.6530 29.6287 176.5317 98 A 4.9864 8.0694 131.1172 50.6466 21.7881 175.0617 99 I 4.2674 7.9499 107.8375 59.7900 39.1289 175.9995 100 R 4.2972 7.5846 120.5623 55.8523 30.0134 176.4794 101 D 4.6253 8.5680 120.3866 57.5650 40.9858 175.7221 102 Y 5.3575 8.0058 117.5081 56.2078 39.7961 174.2908 103 G 3.9093 8.5868 108.2198 45.0733 0.0000 173.0343 104 I 4.4366 7.7782 124.5621 59.2782 37.0291 174.7045 105 N 4.2295 8.2256 125.5506 53.9404 38.9888 174.6078 106 A 4.0388 9.1167 128.0344 53.2008 19.7490 177.0504 107 V 4.2027 7.4624 116.5081 62.5513 32.5813 174.9926 108 C 4.7373 9.4759 123.3628 55.4865 43.4149 173.6054 109 T 4.5341 8.3684 110.9983 61.7981 69.7879 173.6362 110 H 4.6272 8.4967 122.6448 57.7754 28.2689 175.3879 111 L 4.3804 8.9558 112.9392 54.1374 42.3928 175.8850 112 G 3.8567 8.0475 104.3993 46.2127 0.0000 174.0875 113 C 4.7528 7.6094 116.4339 56.1995 42.7992 174.8721 114 V 4.3085 8.1241 120.4966 61.2620 31.9222 175.6447 115 V 4.3215 8.6873 127.0090 61.0393 32.6262 173.5437 116 P 5.5508 0.0000 0.0000 61.3116 33.1701 174.9218 117 W 3.9487 9.1016 133.0303 57.5565 31.2232 175.4093 118 N 4.1591 8.1803 127.0361 52.5717 37.1101 175.1462 119 A 4.1795 8.2075 128.9335 54.9366 18.2879 178.1253 120 A 4.0443 7.2611 119.1580 55.1657 18.9926 178.3644 121 E 3.9884 9.0641 112.3137 56.9046 29.4928 178.9526 122 N 3.8584 7.8636 113.2559 52.1421 35.8326 172.6968 123 K 4.1448 5.6600 118.5810 55.4104 37.1285 173.7653 124 F 5.7977 9.5876 127.1567 56.0762 40.8037 174.9760 125 K 5.0521 8.5504 121.3027 54.9743 35.3654 176.2362 126 C 4.3830 9.3683 126.5427 56.5810 43.9994 172.5921 127 P 4.2783 0.0000 0.0000 64.4592 31.1714 178.3207 128 C 4.3669 7.8108 116.0274 59.3418 40.4471 173.7836 129 H 4.7350 8.5129 113.5057 54.8960 30.7776 172.9100 130 G 3.4769 7.6380 111.4791 45.4280 0.0000 174.9105 131 S 4.4278 7.9689 115.6687 58.2640 64.1861 173.5567 132 Q 5.3815 8.3141 119.2046 54.8416 32.8411 173.8606 133 Y 5.3993 9.2041 117.6607 56.8467 42.8995 174.9804 134 D 5.0823 8.7844 121.6194 52.4032 40.7470 177.1412 135 E 4.1411 9.0536 118.0583 58.4738 29.7253 178.1227 136 T 4.9363 10.7500 106.2150 60.0221 70.9513 175.6701 137 G 4.6596 7.8448 118.4574 45.6523 0.0000 171.4251 138 K 4.0649 7.4171 129.1469 55.9124 31.5706 174.7370 139 V 3.2107 7.8337 128.1986 62.8026 30.4005 175.5422 140 I 3.9011 8.3816 127.2849 63.1345 37.5025 176.4641 141 R 4.5586 7.3805 116.3992 54.2234 32.7985 173.6802 142 G 4.0944 7.7804 105.6340 43.8814 0.0000 171.5046 143 P 4.1637 0.0000 0.0000 63.6263 31.1876 176.3716 144 A 4.1164 7.6477 122.2458 51.0052 18.4773 175.1603 145 P 3.5869 0.0000 0.0000 66.8879 31.1145 178.4678 146 L 4.4187 7.7168 123.4154 53.9286 44.1941 176.6559 147 S 4.8875 8.3060 115.0387 57.3693 65.3897 173.3735 148 L 4.2875 8.7223 119.6330 54.5687 42.1064 177.4142 149 A 2.7227 8.5640 124.2692 52.0421 19.8248 175.9275 150 L 5.4756 5.9226 116.4786 54.2636 45.3413 175.1854 151 C 5.0474 8.0548 112.7017 59.4179 32.2108 172.0286 152 H 5.5493 8.2967 116.0709 54.3650 30.1969 174.0981 153 A 4.9570 9.7569 126.7858 50.6748 20.5544 176.1135 154 T 4.6283 8.1672 117.5986 61.6139 72.8046 173.3958 155 V 4.2848 8.1484 123.2833 61.8506 32.6403 175.5669 156 Q 4.1508 8.4681 129.1392 56.1578 30.7501 174.5074 157 D 4.5640 9.2172 124.2012 54.1678 38.8752 174.2449 158 D 4.4232 7.6678 116.4132 55.1255 39.1367 173.7069 159 N 4.9272 7.6984 117.4298 52.7244 39.9562 173.5019 160 I 4.4758 7.9034 119.4764 60.3187 39.6846 175.5879 161 V 4.5312 8.2360 125.9053 60.8984 32.8874 173.6947 162 L 5.2307 8.2440 127.1338 54.1271 42.6238 176.6872 163 T 4.7452 8.3848 119.1769 60.7343 72.3382 171.6299 164 P 4.4641 0.0000 0.0000 63.0056 32.2249 176.5646 165 W 4.2549 8.9236 133.6676 56.7290 29.7336 175.6972 166 T 4.1177 8.3802 120.2182 64.3410 67.3251 174.6573 167 E 3.9873 7.6689 116.3900 56.5054 29.1538 175.3615 168 T 4.4895 8.0743 108.9288 60.7483 70.8847 174.8775 169 D 4.7375 8.5373 120.8675 52.4124 39.3857 176.3887 170 F 4.2668 9.0056 118.3748 59.6105 38.1374 177.7441 171 R 3.7841 7.1367 116.5793 56.5566 30.0660 176.7276 172 T 4.4823 9.8976 111.2613 62.6141 72.0261 173.8037 173 G 4.2920 7.6846 116.8409 45.2274 0.0000 178.3294 174 E 4.2444 7.7346 118.8811 54.7128 31.1555 175.9963 175 K 4.1498 8.4652 119.6796 56.0967 32.8122 175.5133 176 P 3.4309 0.0000 0.0000 62.0270 31.0810 176.9797 177 W 4.2565 8.4664 122.0012 58.5988 27.8572 176.8513 178 W 4.3526 6.7850 113.2363 54.5628 27.8066 176.0583 179 V 3.7997 6.6814 124.7524 64.1188 32.8466 170.4302 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 D 8.36 4.47 0.00 2.65 2.75 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 10 V 7.56 3.86 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 0.84 0.00 0.00 0.93 0.00 0.00 11 P 0.00 4.25 0.00 2.08 1.98 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 12 D 9.18 4.31 0.00 2.90 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 13 M 7.88 2.77 0.00 2.15 2.21 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 2.64 2.58 0.00 14 G 7.37 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 15 R 8.91 4.49 0.00 1.75 1.96 0.00 3.13 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.76 0.00 16 R 8.37 3.95 0.00 2.03 1.98 0.00 3.20 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 17 Q 8.22 3.76 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 18 F 7.98 4.16 0.00 3.30 3.18 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 19 M 8.45 3.82 0.00 2.04 2.27 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.99 0.00 20 N 9.78 4.07 0.00 2.70 2.74 0.00 0.00 6.54 6.62 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 21 L 7.86 3.69 0.00 1.77 1.46 0.90 0.56 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 22 L 7.74 3.77 0.00 1.52 1.56 0.85 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.73 4.05 1.22 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 0.00 0.00 0.00 24 F 9.21 4.87 0.00 3.06 2.96 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 25 G 8.09 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 26 T 8.25 3.95 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 1.28 0.00 0.00 27 V 8.54 3.72 2.23 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 1.04 0.00 0.00 1.07 0.00 0.00 28 T 7.72 3.95 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 1.20 0.00 0.00 29 G 7.95 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 0.00 0.00 0.00 30 V 7.90 3.62 2.23 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 1.09 0.00 0.00 0.94 0.00 0.00 31 A 7.75 3.97 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 32 L 8.77 4.03 0.00 1.66 1.76 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.87 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 34 A 8.38 4.20 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 35 L 8.41 4.07 0.00 1.86 1.82 0.94 0.77 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 36 Y 8.22 4.19 0.00 3.12 3.17 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 0.00 0.00 0.00 37 P 0.00 3.97 0.00 2.32 2.35 0.00 3.95 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 L 7.46 4.18 0.00 1.69 1.91 0.72 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.83 4.07 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 1.01 0.00 0.00 1.04 0.00 0.00 40 K 7.80 3.88 0.00 1.72 1.69 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.13 0.45 7.81 41 Y 8.18 4.04 0.00 2.83 2.93 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 42 F 8.03 4.35 0.00 3.32 3.18 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 43 I 7.04 4.00 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.38 0.91 0.00 0.00 44 P 0.00 4.31 0.00 2.15 2.03 0.00 3.78 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 45 P 0.00 4.17 0.00 2.02 1.99 0.00 3.61 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 46 S 8.66 4.32 0.00 4.00 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 47 G 8.84 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.78 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 49 A 7.14 3.40 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 50 V 8.55 4.07 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 0.88 0.00 0.00 0.93 0.00 0.00 *54 T 7.28 4.27 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 55 T 8.57 4.56 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 1.25 0.00 0.00 56 A 8.54 4.15 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 57 K 8.31 4.57 0.00 1.67 1.65 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.59 7.81 58 D 8.52 4.73 0.00 3.12 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 59 K 9.01 3.73 0.00 1.77 1.82 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.45 7.81 60 L 7.92 3.98 0.00 1.61 1.78 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.16 4.65 0.00 3.15 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 70 L 9.63 3.73 0.00 1.91 1.69 0.95 0.58 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 71 E 6.25 3.60 0.00 2.26 2.01 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 2.33 2.49 0.00 72 S 7.46 4.72 0.00 3.91 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 73 H 7.55 4.94 0.00 3.02 3.38 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.19 4.86 0.00 2.65 2.32 0.00 0.00 6.72 8.37 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 75 A 8.75 4.44 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 76 G 9.37 4.01 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 0.00 0.00 0.00 77 D 7.68 4.59 0.00 2.69 2.62 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 1.38 1.41 7.81 86 G 8.19 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 7.39 4.45 0.00 2.68 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 88 P 0.00 4.62 0.00 1.86 1.83 0.00 3.42 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 2.00 2.03 0.00 89 T 8.63 4.71 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 1.19 0.00 0.00 90 Y 8.57 4.54 0.00 3.08 2.81 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 91 I 8.64 4.41 2.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.92 0.84 0.00 0.00 92 V 8.12 4.01 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 0.77 0.00 0.00 0.71 0.00 0.00 93 V 7.92 3.90 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 0.98 0.00 0.00 1.17 0.00 0.00 94 E 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0.00 0.00 0.00 0.00 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 G 8.59 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 0.00 104 I 7.78 4.44 1.90 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.49 0.79 0.00 0.00 105 N 8.23 4.23 0.00 2.52 2.46 0.00 0.00 7.14 8.29 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 0.00 106 A 9.12 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.46 4.20 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 0.84 0.00 0.00 0.89 0.00 0.00 108 C 9.48 4.74 0.00 3.34 3.29 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 0.00 109 T 8.37 4.53 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 1.30 0.00 0.00 110 H 8.50 4.63 0.00 3.19 2.71 0.00 5.78 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.96 4.38 0.00 1.60 1.61 0.56 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.05 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 0.00 113 C 7.61 4.75 0.00 2.92 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 0.00 114 V 8.12 4.31 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 0.63 0.00 0.00 0.78 0.00 0.00 115 V 8.69 4.32 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 0.97 0.00 0.00 0.92 0.00 0.00 116 P 0.00 5.55 0.00 2.27 2.29 0.00 4.14 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.88 0.00 117 W 9.10 3.95 0.00 2.94 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 0.00 118 N 8.18 4.16 0.00 2.57 2.48 0.00 0.00 6.80 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.21 4.18 1.40 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 0.00 0.00 0.00 120 A 7.26 4.04 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 0.00 121 E 9.06 3.99 0.00 1.76 1.86 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 2.27 2.17 0.00 122 N 7.86 3.86 0.00 2.77 4.07 0.00 0.00 6.66 7.17 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 0.00 123 K 5.66 4.14 0.00 1.79 1.22 0.00 1.51 0.00 0.00 1.59 0.00 0.00 3.05 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.15 1.29 7.81 124 F 9.59 5.80 0.00 3.11 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 0.00 125 K 8.55 5.05 0.00 1.73 1.80 0.00 1.50 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.25 1.39 7.81 126 C 9.37 4.38 0.00 3.34 3.16 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 0.00 127 P 0.00 4.28 0.00 2.09 2.10 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.26 0.00 128 C 7.81 4.37 0.00 2.97 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 0.00 129 H 8.51 4.73 0.00 3.04 3.27 0.00 5.89 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 0.00 130 G 7.64 3.48 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 0.00 131 S 7.97 4.43 0.00 3.67 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 0.00 132 Q 8.31 5.38 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 133 Y 9.20 5.40 0.00 3.12 3.30 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 0.00 134 D 8.78 5.08 0.00 3.08 2.96 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 0.00 135 E 9.05 4.14 0.00 2.10 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 0.00 2.82 2.50 0.00 136 T 10.75 4.94 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 137 G 7.84 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 K 7.42 4.06 0.00 1.81 1.95 0.00 1.91 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.46 7.81 139 V 7.83 3.21 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 0.62 0.00 0.00 0.97 0.00 0.00 140 I 8.38 3.90 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.68 0.90 0.00 0.00 141 R 7.38 4.56 0.00 1.77 1.79 0.00 3.27 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.48 0.00 142 G 7.78 4.09 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 0.00 0.00 0.00 143 P 0.00 4.16 0.00 1.44 1.89 0.00 3.56 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.98 0.00 144 A 7.65 4.12 1.22 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 0.00 0.00 0.00 145 P 0.00 3.59 0.00 1.85 1.82 0.00 3.57 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 146 L 7.72 4.42 0.00 0.50 1.10 -0.37 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 147 S 8.31 4.89 0.00 4.18 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 0.00 148 L 8.72 4.29 0.00 1.50 1.48 0.50 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 149 A 8.56 2.72 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 5.92 5.48 0.00 1.11 1.52 0.31 1.11 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 0.00 151 C 8.05 5.05 0.00 3.14 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 0.00 152 H 8.30 5.55 0.00 3.18 3.25 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 A 9.76 4.96 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 0.00 154 T 8.17 4.63 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 1.19 0.00 0.00 155 V 8.15 4.28 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 0.73 0.00 0.00 0.86 0.00 0.00 156 Q 8.47 4.15 0.00 2.18 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.18 5.63 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 157 D 9.22 4.56 0.00 2.85 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 0.00 158 D 7.67 4.42 0.00 2.92 2.75 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 0.00 159 N 7.70 4.93 0.00 2.74 2.74 0.00 0.00 6.97 7.32 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 0.00 160 I 7.90 4.48 1.81 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.54 0.87 0.00 0.00 161 V 8.24 4.53 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 0.98 0.00 0.00 0.97 0.00 0.00 162 L 8.24 5.23 0.00 1.53 1.59 0.90 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 163 T 8.38 4.75 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 1.24 0.00 0.00 164 P 0.00 4.46 0.00 2.00 2.09 0.00 3.70 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 2.07 2.14 0.00 165 W 8.92 4.25 0.00 3.41 3.21 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 0.00 166 T 8.38 4.12 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 1.18 0.00 0.00 167 E 7.67 3.99 0.00 1.86 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 1.47 1.53 0.00 168 T 8.07 4.49 4.61 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 1.23 0.00 0.00 169 D 8.54 4.74 0.00 2.78 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 0.00 0.00 0.00 0.00 170 F 9.01 4.27 0.00 3.36 3.69 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 0.00 171 R 7.14 3.78 0.00 1.50 1.62 0.00 3.07 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 172 T 9.90 4.48 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 1.31 0.00 0.00 173 G 7.68 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 0.00 0.00 0.00 0.00 174 E 7.73 4.24 0.00 2.20 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 0.00 2.36 2.36 0.00 175 K 8.47 4.15 0.00 1.69 1.72 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.40 7.81 176 P 0.00 3.43 0.00 1.21 0.54 0.00 3.53 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 2.06 2.23 0.00 177 W 8.47 4.26 0.00 3.52 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 0.00 178 W 6.78 4.35 0.00 2.44 1.74 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 0.00 179 V 6.68 3.80 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 0.73 0.00 0.00 1.07 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.