NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.4379 8.2876 121.7327 56.4775 31.0820 174.2567 4 T 4.9104 8.5565 117.4265 59.6560 71.1338 172.2484 5 A 4.8420 8.4639 125.8754 49.5812 21.6971 175.6408 6 P 4.5747 0.0000 0.0000 61.6013 33.6221 175.3458 7 L 4.5641 8.4325 123.8823 55.6696 42.7416 176.0548 8 R 4.5996 9.0764 126.2955 54.4367 33.4871 173.7356 9 V 4.7029 8.4924 125.6025 61.2394 33.8554 174.2918 10 Q 4.7869 9.0926 127.4104 53.8778 31.5973 174.6337 11 L 4.4609 8.8644 127.1561 54.8942 42.1834 176.0971 12 I 4.5854 8.7446 119.2097 60.8755 39.8125 175.4954 13 A 4.8066 7.5690 123.6797 50.7489 22.6618 175.2960 14 K 5.0478 8.1190 118.3338 55.5120 36.1687 174.8998 15 T 4.4363 8.4980 116.3122 62.8071 69.5679 174.2075 16 D 4.8449 8.7131 125.4754 52.4295 42.7071 174.9715 17 F 4.9150 8.7622 128.1864 56.1579 41.5334 174.2467 18 L 4.0605 7.4418 127.8665 52.3948 43.4718 175.6256 19 A 3.4869 7.7037 128.7726 51.6250 19.0255 175.1889 20 P 4.2421 0.0000 0.0000 61.6666 31.9809 176.0319 21 P 4.2319 0.0000 0.0000 65.6679 31.3892 177.3327 22 D 4.4390 7.8448 115.7287 55.5634 41.2166 176.4169 23 V 3.5552 7.2378 120.0266 61.5281 32.2046 175.1823 24 P 4.6434 0.0000 0.0000 60.4810 29.9276 174.8189 25 W 5.2089 7.5154 130.4971 57.0775 34.1471 173.2951 26 T 3.9957 7.5856 113.6431 59.9696 71.8291 172.4354 27 T 4.3489 7.0426 114.4563 60.1092 70.4077 173.8376 28 D 4.3990 8.6381 123.2017 55.7665 41.1852 175.1576 29 A 4.6853 7.6747 118.9997 51.7999 22.3158 174.2317 30 D 5.1019 8.3590 117.5530 52.6258 45.2853 176.2302 31 G 4.0849 8.7493 110.0695 46.2063 0.0000 175.1998 32 G 4.4360 8.9018 106.7198 47.3452 0.0000 173.1093 33 P 4.4621 0.0000 0.0000 64.8572 31.3454 178.7173 34 A 4.0841 7.7730 118.5921 54.8573 18.2094 179.2239 35 L 3.0747 7.3455 118.8231 58.1004 42.0054 179.4377 36 V 3.6405 7.9121 117.9945 65.9228 31.1770 177.4982 37 E 3.9123 8.0664 118.5705 59.2805 29.5139 178.2694 38 F 3.3099 8.3873 120.7842 61.1987 39.1110 176.9411 39 A 3.9785 8.1975 119.1657 55.0309 18.1284 179.4596 40 G 3.8544 8.3073 104.3921 48.2487 0.0000 176.2104 41 R 3.6540 7.9143 120.6037 58.4717 29.6663 178.8668 42 A 3.6136 7.2115 119.9202 55.1891 18.2851 178.6477 43 C 4.0081 7.4430 114.0601 62.3033 28.2455 174.2310 44 Y 4.2888 7.4923 114.1800 57.0046 38.6714 175.2006 45 Q 2.5200 7.0994 118.0836 56.6329 26.9625 175.1680 46 S 4.3730 6.9023 112.3573 56.5211 62.3691 173.1600 47 W 4.7094 7.9780 128.2745 58.6856 29.7853 177.1703 48 S 4.6506 8.0030 112.3223 58.0176 63.4443 174.6012 49 K 4.6404 8.0610 119.3450 54.0100 32.3201 174.4699 50 P 4.2522 0.0000 0.0000 64.9240 32.2971 177.1716 51 N 4.6241 7.9346 119.4676 51.1955 38.3370 173.1366 52 P 4.2772 0.0000 0.0000 66.2922 32.0697 179.8586 53 K 4.0133 8.7587 119.9777 57.5616 31.6604 181.7516 54 T 4.3239 7.5793 106.9371 61.3196 68.6996 175.3944 55 A 4.3405 7.5610 124.5181 53.8030 19.2616 178.8709 56 T 4.6387 7.5201 106.6129 59.6415 72.4035 174.9131 57 N 4.6190 8.9254 121.1821 56.5089 39.0337 176.8965 58 A 4.1652 8.1821 121.6173 55.0852 18.5579 179.7267 59 G 4.0583 8.0383 105.1701 47.6053 0.0000 175.3385 60 Y 3.9608 8.3853 122.4555 60.4139 38.6249 178.2610 61 L 4.0867 8.2214 121.1908 58.4619 41.8311 179.8358 62 R 4.0556 7.8284 119.5405 61.6948 29.5484 179.9962 63 H 4.4315 7.9870 118.2417 59.0946 29.8850 177.4157 64 I 3.0663 7.2147 119.6065 62.8239 37.2891 177.1608 *66 D 4.4787 7.9877 121.3494 54.0938 42.4060 176.7881 67 V 3.8073 7.4843 115.4680 61.1888 31.8044 176.3859 68 G 3.2605 7.7093 110.5032 47.9854 0.0000 175.6175 *69 H 4.5165 7.3481 119.0676 55.7119 25.0463 179.2281 70 F 4.6243 7.6701 123.6449 60.2376 39.5177 177.8037 71 S 4.2544 8.1618 113.7399 61.2399 62.3201 176.6777 72 V 3.7746 7.5662 115.1378 64.1645 30.9991 178.0600 73 L 4.3745 8.0911 118.2354 56.9506 41.2467 178.7160 74 E 4.0909 7.9194 117.7389 58.8077 29.4252 178.2905 75 H 4.3287 7.7641 114.7001 56.8185 29.4464 175.0393 76 A 4.6519 6.9231 122.2015 50.2137 20.9151 176.3372 77 S 5.2245 8.6619 116.3606 56.8137 67.7777 173.3396 78 V 4.7226 9.1739 120.7215 61.4799 35.2076 174.1523 79 S 5.4987 8.7974 122.5684 56.8367 66.1755 173.0921 80 F 5.4179 9.3288 121.9722 55.8804 42.7972 173.4940 81 Y 5.3446 9.5610 123.5627 56.2837 40.7112 174.2422 82 I 4.9007 8.7851 128.3951 59.6617 40.0069 174.9805 83 T 4.5536 8.2892 116.1925 59.7917 72.7717 173.5601 84 G 4.3335 8.7882 106.9083 46.9565 0.0000 173.5414 85 I 4.5584 7.0262 118.8809 58.2853 40.6918 175.1025 86 S 4.8553 8.9594 122.6821 57.8355 65.3544 175.7247 87 R 4.0206 8.4949 123.0189 58.8223 29.5553 179.6787 88 S 4.1639 7.9537 114.1345 61.3354 62.8861 176.2119 89 C 4.1339 8.0910 122.5602 62.5794 31.1036 175.7108 90 T 3.7583 8.0041 111.3890 65.0027 67.9766 175.7946 91 H 4.0919 8.0900 120.3451 59.0052 29.9913 176.8445 92 E 4.1474 7.9983 120.5148 59.0241 29.4349 178.6651 93 L 4.0835 8.1609 120.9743 58.2204 41.9936 178.6679 94 I 3.5043 7.3050 110.8430 61.4919 37.6631 177.5702 95 R 4.2577 7.6036 119.7632 57.8723 29.8966 176.0916 96 H 4.6678 8.0336 116.5112 55.3363 28.3153 175.4274 97 R 4.4093 8.6575 123.5983 57.4207 30.5430 176.7169 98 H 4.7382 8.0292 114.4433 55.9229 29.1732 174.3895 99 F 4.7168 7.8981 116.3133 55.6344 42.4980 174.6944 100 S 4.6694 8.6011 116.0872 56.9841 65.6815 173.1593 101 Y 5.4668 8.3640 119.7089 56.4597 42.3371 174.6599 102 S 4.7678 9.2394 117.6423 57.0548 66.8395 172.8906 103 Q 5.0744 8.7009 125.2891 53.5254 32.1442 174.4241 104 L 3.9191 8.6243 127.2593 56.0714 42.7813 176.3076 105 S 4.5961 8.6725 120.6630 57.0018 62.7678 174.5529 106 Q 4.2428 8.5935 126.9065 58.2213 29.1320 178.3301 107 R 4.0901 7.9716 118.6624 58.7761 30.4618 178.2964 *108 Y 4.3429 7.3198 114.8271 57.8242 39.5418 181.8947 109 V 3.9896 7.8766 120.0179 60.9770 32.2966 173.9585 110 P 4.3977 0.0000 0.0000 63.5250 31.7236 175.8933 111 E 4.2545 8.6838 121.7568 56.5760 30.0753 178.5945 112 K 4.0086 8.0409 121.3090 57.0707 31.8512 182.3567 113 D 4.8766 7.7672 115.3487 53.6806 41.3432 176.2926 114 S 4.0688 7.4708 114.4286 58.8296 62.8568 174.0701 115 R 4.6610 8.2985 125.5034 55.4531 32.3708 175.3619 116 V 4.8630 8.6106 113.3889 59.6849 35.4897 174.9625 117 V 4.4728 8.4791 123.2052 61.0449 32.9448 175.5726 118 V 3.8006 8.3642 128.3186 61.5164 31.6608 173.8046 119 P 4.3185 0.0000 0.0000 62.2201 31.7358 175.4766 120 P 4.4735 0.0000 0.0000 65.7617 31.3487 178.2292 121 G 3.7885 7.2673 106.5251 45.8050 0.0000 174.4982 *123 E 4.3518 8.3132 121.3196 55.8407 31.2408 176.7432 124 D 4.5243 8.0233 114.5037 53.4784 40.1972 176.1320 125 D 4.7213 7.6225 119.9132 52.3745 42.4659 175.5047 126 A 4.0124 8.4210 129.9511 54.9318 18.4452 178.4588 127 D 4.2746 8.1296 116.2462 57.5211 41.4389 178.3379 128 L 3.9983 8.1901 119.4990 57.9239 41.5814 179.6055 129 R 3.9421 8.1373 118.0548 59.4850 29.9660 178.6752 130 H 4.1182 8.2919 117.9195 59.4095 29.9843 177.3028 131 I 3.6630 7.8867 121.6393 64.2246 36.8418 178.2645 132 L 3.9034 7.9633 121.3068 58.4729 42.0046 179.1907 133 T 3.8773 8.0818 109.9188 64.6435 68.5349 176.3152 134 E 3.8511 8.2281 121.2046 59.2558 29.4953 179.0593 135 A 3.9437 7.8127 120.0432 55.1541 18.3399 179.5945 136 A 3.9301 8.1065 119.3216 55.2862 18.4417 179.5467 137 D 4.2759 8.5086 117.6725 57.3668 40.8968 178.9026 138 A 3.9476 8.2802 121.1580 55.1130 18.3628 179.4191 139 A 3.9638 8.1120 119.3503 55.4706 18.4637 179.8215 140 R 3.8285 8.2275 116.9613 59.3712 30.0809 178.5931 141 A 3.9960 8.0878 120.6000 55.4668 18.3559 179.5052 142 T 3.8232 7.9356 114.2617 67.0839 68.4998 175.8169 143 Y 4.0748 8.3792 121.5229 61.1832 38.7528 178.6722 144 S 4.1925 8.3295 115.8342 61.3140 62.7285 176.0384 145 E 3.8684 8.3576 122.1575 59.4053 29.4056 178.8540 146 L 3.9369 8.1623 119.0234 57.6600 41.7613 179.2627 147 L 3.7187 7.9388 120.2203 58.0218 41.7186 178.5639 148 A 3.9333 7.8192 120.5415 55.4290 18.4340 179.7913 149 K 3.8807 7.6787 116.5804 59.6000 32.1342 179.7067 150 L 3.7782 8.3459 119.6393 57.5453 41.1706 179.1452 151 E 4.0061 8.7080 118.7763 59.7092 29.2600 179.4884 152 A 4.1655 7.4272 118.8904 54.9088 18.4366 179.3021 153 K 3.8788 7.5080 117.2735 58.5195 32.1575 178.1149 154 F 5.0682 7.4644 115.9656 57.2795 40.0978 176.9866 155 A 4.1803 7.5678 125.6767 55.0519 18.4249 180.4436 156 D 4.4272 8.2117 114.9919 56.9215 41.0322 176.7881 157 Q 4.5956 7.5778 118.1769 53.3104 29.9293 173.9828 158 P 4.3238 0.0000 0.0000 65.4169 31.9858 177.1563 159 N 4.4346 8.0717 117.9605 52.9965 40.0336 175.2617 160 A 4.0350 8.5943 130.0525 55.3790 18.6746 179.4338 161 I 3.7891 7.6679 117.8900 64.1108 37.1923 178.5968 162 L 3.9315 7.7783 119.7453 57.8293 41.5735 179.5412 163 R 3.9508 8.1008 115.7731 58.6425 29.3584 178.8430 164 R 3.9509 7.9187 117.1423 58.9275 29.6023 178.8770 165 K 4.4720 7.7653 120.0901 58.9924 31.6450 179.2731 166 Q 3.6995 8.1862 118.1957 58.5674 28.4148 178.9460 167 A 4.1178 7.5722 121.2638 55.4087 18.6765 179.9717 168 R 3.8955 7.9999 116.8275 59.2940 29.8624 179.3578 169 Q 3.9921 8.3275 117.0937 59.0103 28.8593 178.2072 170 A 4.1627 7.6839 122.1575 54.8098 18.5607 179.3193 171 A 3.8576 8.1108 119.6056 55.1864 18.1073 179.7561 172 R 4.1239 8.2368 113.7152 59.5671 29.2009 178.2664 173 A 4.3006 7.8024 120.7156 54.1372 19.0896 178.0588 174 V 3.8515 7.2661 111.4759 59.4047 30.4444 173.6394 *176 P 4.2388 0.0000 0.0000 61.8295 32.6333 177.9037 177 N 4.2012 8.7122 115.6296 56.6110 38.6495 176.8149 178 A 4.2664 7.8825 118.4767 53.0672 19.1135 176.8669 179 T 4.2640 7.7602 114.1586 63.7561 69.4600 173.4844 180 E 4.3108 8.9828 128.0227 56.9329 30.2630 175.5373 181 T 4.8239 9.2031 119.9557 60.4627 71.9215 172.2359 182 R 4.9841 8.1872 120.7030 54.6687 34.9429 174.4073 183 I 4.9265 8.4088 121.5533 60.0329 42.3408 173.2627 184 V 4.8654 9.2360 130.3271 61.9873 33.0728 174.5038 185 V 4.9402 8.9582 128.1633 61.4888 34.0256 174.1661 186 T 5.3158 8.9610 124.8763 61.9813 71.6098 173.4415 187 G 4.0554 9.1597 111.6485 44.7792 0.0000 172.4387 188 N 5.3704 8.3425 118.9706 51.8066 39.0456 175.7452 189 Y 4.8496 8.5075 116.2930 61.5172 37.7492 179.1960 190 R 4.0202 8.2958 118.9746 59.3785 30.3321 178.3053 191 A 3.8589 8.5253 120.8146 54.8470 18.2352 179.6443 192 W 4.7876 8.6152 117.7324 60.2023 29.1807 178.9135 193 R 4.3101 8.8157 118.1904 59.6862 29.3533 178.5641 194 H 4.2370 8.2377 116.7500 59.2057 29.9727 176.5213 195 F 4.3134 8.3878 121.1707 61.5640 39.4199 176.8108 196 I 3.5541 8.1475 118.8323 64.1945 36.6373 178.5825 197 A 4.1888 7.6961 115.9715 53.7318 18.4051 178.3444 *199 R 4.0394 7.9843 119.9047 56.8275 32.5247 175.8843 200 A 4.4895 7.8275 123.2039 51.4668 18.7185 176.0829 201 S 4.9783 7.2897 115.4847 56.5229 66.7595 175.0949 202 E 4.0724 8.5205 118.2742 58.9840 29.6570 177.9573 203 H 4.3321 7.6699 116.1420 57.8533 29.0324 175.6288 204 A 4.3512 7.3947 121.7667 50.7589 19.6097 177.0503 205 D 4.3874 8.6292 119.0481 55.2356 42.8480 178.7209 206 V 3.6785 8.3764 118.7247 64.0368 31.7204 178.5592 207 E 3.8335 8.4609 119.4888 59.4429 29.5288 178.7910 208 I 3.8002 7.6824 118.0022 63.5310 38.0468 177.5726 209 R 4.5083 7.9182 121.3214 58.9127 29.9634 178.1697 210 R 3.8178 7.8411 118.4064 59.4519 29.9088 178.0429 211 L 3.8661 7.8198 119.2856 58.1322 42.0465 178.7872 212 A 4.0937 8.1986 120.8668 55.2359 18.2802 179.5631 213 I 3.5303 7.7610 118.3322 64.5329 37.2405 178.3153 214 E 3.8266 8.0105 119.9402 59.3006 29.4054 178.5325 215 C 3.3220 8.0305 116.9503 62.4737 28.0875 175.6894 216 L 3.5713 7.9585 122.1255 58.3072 41.0962 179.3158 217 R 3.8625 7.8797 117.7260 59.3716 29.8386 179.1408 218 Q 4.0267 7.8851 117.7339 58.7271 28.7032 178.5931 219 L 3.7423 8.0870 120.3699 57.5837 41.3045 179.4108 220 A 4.1990 8.1604 120.8046 54.8930 18.0010 179.5804 221 A 3.9636 7.3824 118.3000 55.1286 18.5351 179.6638 222 V 4.0056 7.4656 109.6259 62.3964 33.6024 176.7168 223 A 4.7748 8.3591 120.9138 49.2943 18.9545 174.1146 224 P 4.4747 0.0000 0.0000 64.1903 32.1120 179.3322 225 A 4.0269 8.0610 118.8207 55.0162 18.4897 178.7674 226 V 3.5992 7.7240 115.1337 64.9180 31.8091 176.7106 227 F 4.9733 7.9971 116.1035 57.0298 39.4500 177.1253 228 A 4.2012 8.1415 125.4015 54.9231 18.3540 179.1299 229 D 4.4165 8.0735 114.2964 55.6355 39.6900 176.3118 230 F 4.6498 8.1185 119.9224 57.0962 39.7059 174.8330 231 E 4.7089 9.4943 124.2562 54.5990 31.7602 175.1779 232 V 4.6518 8.4807 125.1310 62.1943 32.5788 175.0424 233 T 4.7964 9.1335 117.9378 60.2134 72.4115 172.6582 234 T 4.9220 8.3447 119.2841 62.1294 70.3201 175.0396 235 L 4.3375 8.9835 126.8647 53.3118 43.1903 177.6335 236 A 3.9614 8.6062 122.3074 55.7106 18.0710 178.5221 237 D 4.4445 7.9805 111.7430 53.9866 39.6484 177.2695 238 G 3.9320 8.3055 109.3720 45.6503 0.0000 174.1315 239 T 4.1817 7.7383 109.7747 61.4003 69.6894 172.9262 240 E 5.1562 8.4012 121.2732 54.6775 31.9969 175.6543 241 V 4.6847 8.9260 122.7069 60.9876 35.5599 173.8902 242 A 5.3823 8.9871 126.3971 50.5476 21.5783 175.7167 243 T 4.8610 9.1869 118.8329 61.7904 72.8488 173.1654 244 S 4.9360 8.2908 118.1352 55.6890 65.4281 173.0836 245 P 4.3235 0.0000 0.0000 64.9780 31.1975 176.7822 246 L 4.4914 7.5969 117.5042 54.4609 41.9969 176.3394 247 A 4.1352 7.7272 127.7084 52.4059 19.2772 176.1508 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 3 E 8.29 4.44 0.00 2.06 1.90 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 2.26 2.31 0.00 4 T 8.56 4.91 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 1.20 0.00 0.00 5 A 8.46 4.84 1.19 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 6 P 0.00 4.57 0.00 2.11 2.16 0.00 3.69 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 2.03 1.94 0.00 7 L 8.43 4.56 0.00 1.62 1.59 0.86 0.77 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 8 R 9.08 4.60 0.00 1.84 1.65 0.00 3.08 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 9 V 8.49 4.70 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 0.38 0.00 0.00 0.76 0.00 0.00 10 Q 9.09 4.79 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 11 L 8.86 4.46 0.00 1.93 1.56 0.78 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 12 I 8.74 4.59 1.88 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 1.34 0.85 1.06 0.00 0.00 13 A 7.57 4.81 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 14 K 8.12 5.05 0.00 1.75 1.77 0.00 1.20 0.00 0.00 0.61 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.34 7.81 15 T 8.50 4.44 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 1.28 0.00 0.00 16 D 8.71 4.84 0.00 2.63 2.58 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 0.00 17 F 8.76 4.91 0.00 3.05 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 18 L 7.44 4.06 0.00 1.36 1.24 0.78 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.70 3.49 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 20 P 0.00 4.24 0.00 2.09 1.88 0.00 3.31 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.76 0.00 21 P 0.00 4.23 0.00 1.98 2.06 0.00 3.59 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 22 D 7.84 4.44 0.00 2.60 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 23 V 7.24 3.56 1.90 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 -0.73 0.00 0.00 0.70 0.00 0.00 24 P 0.00 4.64 0.00 2.29 2.09 0.00 3.26 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 25 W 7.52 5.21 0.00 3.41 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 26 T 7.59 4.00 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 1.07 0.00 0.00 27 T 7.04 4.35 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 1.25 0.00 0.00 28 D 8.64 4.40 0.00 2.65 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 29 A 7.67 4.69 1.28 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 30 D 8.36 5.10 0.00 2.78 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 31 G 8.75 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 0.00 0.00 0.00 32 G 8.90 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 0.00 0.00 0.00 0.00 33 P 0.00 4.46 0.00 2.27 2.22 0.00 3.99 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 2.23 2.32 0.00 34 A 7.77 4.08 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.35 3.07 0.00 1.52 1.78 1.06 0.72 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 36 V 7.91 3.64 2.36 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 1.16 0.00 0.00 1.19 0.00 0.00 37 E 8.07 3.91 0.00 2.33 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 0.00 2.07 1.47 0.00 38 F 8.39 3.31 0.00 2.77 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 39 A 8.20 3.98 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.31 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 41 R 7.91 3.65 0.00 1.27 0.94 0.00 2.53 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.99 0.00 42 A 7.21 3.61 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 43 C 7.44 4.01 0.00 2.75 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 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0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 53 K 8.76 4.01 0.00 1.69 1.81 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.25 7.81 54 T 7.58 4.32 4.35 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 0.00 0.00 0.00 1.05 0.00 0.00 55 A 7.56 4.34 1.39 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 0.00 0.00 56 T 7.52 4.64 4.47 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 1.24 0.00 0.00 57 N 8.93 4.62 0.00 2.93 2.94 0.00 0.00 7.57 7.70 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 58 A 8.18 4.17 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 59 G 8.04 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 0.00 0.00 0.00 60 Y 8.39 3.96 0.00 3.26 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 70 F 7.67 4.62 0.00 3.16 3.11 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 0.00 0.00 0.00 71 S 8.16 4.25 0.00 4.04 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 0.00 72 V 7.57 3.77 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 1.02 0.00 0.00 1.03 0.00 0.00 73 L 8.09 4.37 0.00 1.99 1.97 1.17 1.04 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 74 E 7.92 4.09 0.00 1.93 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 0.00 2.30 2.43 0.00 75 H 7.76 4.33 0.00 3.19 3.36 0.00 5.63 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 6.92 4.65 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.66 5.22 0.00 3.75 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 78 V 9.17 4.72 2.10 0.00 0.00 0.00 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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 0.00 0.00 138 A 8.28 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 A 8.11 3.96 1.42 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 0.00 0.00 0.00 140 R 8.23 3.83 0.00 2.01 1.94 0.00 3.23 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 141 A 8.09 4.00 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 0.00 0.00 0.00 0.00 0.00 142 T 7.94 3.82 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 143 Y 8.38 4.07 0.00 3.06 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 0.00 144 S 8.33 4.19 0.00 4.14 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 0.00 145 E 8.36 3.87 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.98 1.21 7.81 154 F 7.46 5.07 0.00 3.08 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 0.00 155 A 7.57 4.18 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 0.00 156 D 8.21 4.43 0.00 2.72 2.83 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 0.00 157 Q 7.58 4.60 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 158 P 0.00 4.32 0.00 2.18 2.19 0.00 3.77 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 1.99 1.96 0.00 159 N 8.07 4.43 0.00 2.85 2.73 0.00 0.00 7.11 7.85 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 0.00 160 A 8.59 4.04 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 0.00 161 I 7.67 3.79 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 1.64 1.08 0.91 0.00 0.00 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196 I 8.15 3.55 1.63 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 1.37 0.88 0.20 0.00 0.00 197 A 7.70 4.19 1.51 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 *199 R 7.98 4.04 0.00 1.04 1.68 0.00 3.26 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 1.41 1.25 0.00 200 A 7.83 4.49 1.15 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 0.00 0.00 201 S 7.29 4.98 0.00 3.94 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 0.00 202 E 8.52 4.07 0.00 2.03 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 0.00 2.16 2.07 0.00 203 H 7.67 4.33 0.00 3.13 3.38 0.00 5.65 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 0.00 204 A 7.39 4.35 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 0.00 205 D 8.63 4.39 0.00 2.71 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 0.00 206 V 8.38 3.68 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 0.69 0.00 0.00 0.92 0.00 0.00 207 E 8.46 3.83 0.00 2.04 1.93 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 2.29 2.30 0.00 208 I 7.68 3.80 1.90 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.95 0.00 0.00 209 R 7.92 4.51 0.00 2.00 2.05 0.00 3.17 0.00 0.00 3.26 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.44 0.00 210 R 7.84 3.82 0.00 2.01 2.10 0.00 3.12 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 211 L 7.82 3.87 0.00 1.85 1.92 0.87 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 212 A 8.20 4.09 0.95 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 0.00 213 I 7.76 3.53 1.81 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 1.49 1.19 0.92 0.00 0.00 214 E 8.01 3.83 0.00 2.01 1.96 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 2.19 2.20 0.00 215 C 8.03 3.32 0.00 3.07 2.40 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 0.00 216 L 7.96 3.57 0.00 1.49 1.77 0.82 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 217 R 7.88 3.86 0.00 1.94 1.90 0.00 3.12 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 218 Q 7.89 4.03 0.00 2.07 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 219 L 8.09 3.74 0.00 0.85 0.20 0.30 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 220 A 8.16 4.20 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 A 7.38 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 V 7.47 4.01 2.14 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 0.76 0.00 0.00 1.03 0.00 0.00 223 A 8.36 4.77 1.19 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 0.00 224 P 0.00 4.47 0.00 2.24 2.18 0.00 3.94 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 2.16 2.20 0.00 225 A 8.06 4.03 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 0.00 226 V 7.72 3.60 1.60 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 0.05 0.00 0.00 0.70 0.00 0.00 227 F 8.00 4.97 0.00 3.17 3.14 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 0.00 228 A 8.14 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 0.00 229 D 8.07 4.42 0.00 2.66 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 230 F 8.12 4.65 0.00 3.27 3.08 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 0.00 231 E 9.49 4.71 0.00 1.86 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 0.00 2.26 2.38 0.00 232 V 8.48 4.65 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 0.80 0.00 0.00 0.95 0.00 0.00 233 T 9.13 4.80 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 1.22 0.00 0.00 234 T 8.34 4.92 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 1.27 0.00 0.00 235 L 8.98 4.34 0.00 1.82 1.59 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 236 A 8.61 3.96 1.28 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 0.00 237 D 7.98 4.44 0.00 2.79 2.79 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 0.00 238 G 8.31 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 0.00 239 T 7.74 4.18 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 1.26 0.00 0.00 240 E 8.40 5.16 0.00 1.81 1.85 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 2.19 2.24 0.00 241 V 8.93 4.68 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 1.05 0.00 0.00 0.88 0.00 0.00 242 A 8.99 5.38 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 0.00 243 T 9.19 4.86 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 0.00 244 S 8.29 4.94 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 0.00 245 P 0.00 4.32 0.00 2.18 2.14 0.00 3.81 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 1.92 1.94 0.00 246 L 7.60 4.49 0.00 1.74 1.87 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 247 A 7.73 4.14 1.15 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.