NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -7 H 4.8163 8.3033 120.3997 56.2908 31.7256 175.4262 -6 E 4.0074 8.3459 117.5913 58.3784 29.7378 176.9882 -5 N 4.4120 8.5793 118.2046 57.1838 40.2447 176.3478 -4 L 3.9286 7.8268 116.5825 56.3091 41.2442 178.3401 -3 Y 4.9207 7.6819 115.1092 55.7820 40.7223 174.9640 -2 F 4.8318 8.4779 124.1099 57.4880 41.8642 174.6047 -1 Q 2.9939 9.2870 128.2033 56.9363 26.4825 173.3316 0 G 3.4137 7.8939 98.8706 46.9463 0.0000 173.6174 -5 T 4.0220 8.3293 113.1046 65.8838 71.1447 175.8478 -4 F 4.2086 7.9668 115.0825 58.9091 38.4442 176.5401 -3 S 4.8407 7.8719 110.5091 56.1820 66.7223 173.6640 -2 K 4.5318 8.4679 124.2099 55.9880 35.3642 175.4047 -1 E 3.0039 9.3870 128.6033 57.8363 26.9825 173.9316 0 L 3.7937 7.7239 111.8706 56.9463 37.9609 176.3174 8 R 3.8714 7.3074 117.2868 59.3959 29.9299 178.7570 9 E 4.0010 8.0637 117.3691 59.4976 29.2991 179.2217 10 A 4.0946 7.8989 119.3927 54.8865 18.9255 179.1564 11 S 4.4091 7.9991 112.4811 60.7840 63.3487 176.6967 12 R 4.0399 7.8175 122.1255 59.0351 29.7396 176.9677 13 P 4.2759 0.0000 0.0000 65.5739 31.2727 178.7419 14 I 3.7848 7.7261 118.3184 64.3824 37.0456 178.3150 15 I 3.7495 7.7663 120.4061 64.2989 36.9742 177.9030 16 D 4.3401 8.3680 119.0710 57.4691 40.8083 178.0960 17 D 4.3803 7.7453 117.9361 57.3837 41.2094 178.4634 18 I 3.8477 7.9453 120.3234 64.7090 36.7733 177.8915 19 Y 3.9489 8.4335 120.5518 60.1950 38.4038 176.8251 20 N 4.7170 7.8443 114.2734 52.4827 39.4804 174.9171 21 D 4.5865 7.2814 121.4166 53.2560 42.1479 177.6935 22 G 3.0144 8.2569 106.8517 47.6711 0.0000 175.5038 23 F 3.6055 7.0712 122.5004 61.1502 39.4299 177.2328 24 I 3.5307 7.3516 118.6872 64.1665 37.0341 178.3551 25 Q 3.7222 7.7486 118.9285 59.0133 28.4696 178.6170 26 D 4.2871 8.2009 120.3178 57.0952 40.8175 178.6317 27 L 3.5829 7.5982 120.9243 57.6865 41.9149 178.4705 28 L 3.6537 8.2559 120.5837 58.2301 41.7683 178.5390 29 A 4.1665 7.6039 116.8995 52.1558 18.4020 177.6965 30 G 3.7781 7.7977 105.0184 46.3439 0.0000 174.6175 31 K 4.5641 8.2033 116.3736 55.3056 33.0115 176.4073 32 L 4.0459 7.8207 122.1195 54.5639 42.7425 177.4247 33 S 4.2917 8.4961 120.8323 58.3790 64.9247 175.0272 34 N 4.2746 8.6609 121.1431 56.5697 38.2187 177.4216 35 Q 3.9216 8.0293 120.1154 59.2321 29.1833 178.0413 36 A 4.2584 8.1737 121.8428 55.1246 18.2975 179.7405 37 V 3.7172 7.9868 116.6729 66.3716 31.6769 178.4485 38 R 3.9971 8.3254 117.9534 59.4724 30.0271 179.0710 39 Q 4.0399 8.4632 118.0007 59.0336 28.7171 178.2926 40 Y 4.1102 8.5110 120.6246 60.8723 38.9666 178.0753 41 L 3.9618 8.4779 120.1606 57.8050 41.5949 179.8425 42 R 3.9015 8.2262 117.7163 59.3265 29.9887 179.0706 43 A 4.1336 7.9159 120.3351 55.1672 18.2655 179.2038 44 D 4.2648 8.7323 116.8028 57.3082 41.2484 178.2568 45 A 4.1591 8.2863 121.4398 55.3888 18.2834 179.8303 46 S 4.2709 8.0531 113.7626 61.8987 62.8802 176.2342 47 Y 3.8462 8.4604 122.5231 60.7806 38.5191 178.2878 48 L 3.8416 8.4017 120.1837 57.3104 41.3638 179.2838 49 K 3.9312 8.0718 119.7794 59.7760 32.0727 178.7483 50 E 3.9826 7.8973 118.8790 59.1211 29.3357 178.8100 51 F 3.4328 7.9201 121.0189 61.5264 39.3091 177.3358 52 T 4.0458 7.9168 115.1158 66.8570 68.0509 176.3568 53 N 4.3834 7.5179 116.9328 56.2381 38.5987 177.2066 54 I 3.4988 7.3254 120.5212 64.4301 37.1814 177.5228 55 Y 4.5388 7.3331 115.9956 61.0708 37.9040 180.0322 56 A 4.1125 7.7468 119.2300 52.5123 18.4816 179.1713 *58 L 4.2301 7.9827 122.9473 56.3907 43.9498 179.3375 59 I 3.7084 7.5944 118.7158 64.1368 37.0048 175.8614 60 P 4.3497 0.0000 0.0000 64.8605 31.8564 177.3900 61 K 4.2430 7.5421 120.1893 55.2885 30.4199 176.8641 *63 S 4.4544 7.6597 113.5676 57.8596 65.9762 174.6988 64 S 4.5582 7.4724 115.7178 57.1142 64.4766 173.0657 *66 E 4.3360 8.6551 115.4053 56.9274 31.4520 177.8220 67 D 4.4301 7.9357 118.7101 57.2064 40.6929 178.8980 68 V 3.5929 7.7744 118.6572 66.0613 31.4912 178.1633 69 K 3.9098 8.0839 117.6609 59.3780 31.9169 178.7831 70 F 4.0248 8.2753 120.8386 61.2935 39.2513 177.2115 71 L 3.5155 7.9323 118.4749 57.6423 41.4208 179.6152 72 V 3.4545 7.9217 118.4817 65.9475 31.3407 177.5650 73 E 3.9780 8.1367 119.0909 59.4159 29.1732 178.9038 74 Q 3.6316 7.1302 116.9556 58.6623 28.6664 178.4755 75 I 3.8698 7.3366 119.8652 64.3962 37.3621 177.6923 76 E 4.2117 8.5294 122.3113 60.2122 29.0845 181.4882 *77 F 4.2568 7.7293 116.3405 59.4993 38.0883 177.8793 *79 L 4.5911 7.9049 120.8269 55.5666 43.4201 178.2582 80 E 3.9155 7.7647 117.8762 57.9872 29.4725 176.9749 81 G 3.5633 8.9531 105.6066 45.5368 0.0000 174.8945 82 E 3.2909 7.8743 110.7263 55.2540 26.9766 175.7739 83 V 3.5926 7.7114 127.0730 61.5047 32.3870 176.3746 84 E 3.7101 8.5933 126.8080 59.4265 29.1085 178.9570 85 A 3.7023 6.5859 120.1263 55.2460 18.3823 179.1506 86 H 4.4109 7.9613 114.7728 59.1669 28.6631 177.9111 87 E 4.0143 7.9540 119.9400 59.1419 29.2833 179.3881 88 V 3.6373 7.7985 118.4369 66.1417 31.5873 178.1765 89 L 4.1486 8.0399 118.2278 57.6669 41.4430 179.3059 90 A 4.1377 8.3686 120.8608 55.3296 18.3637 179.1591 91 D 4.3445 8.5203 116.7447 57.4982 41.0699 178.1633 92 F 4.4422 8.3430 120.5936 60.6961 39.4239 176.1136 93 I 3.9297 7.4636 109.3598 59.5343 38.1616 174.9897 94 N 4.2612 8.1031 116.4602 54.7311 36.4312 173.9773 95 E 4.7786 8.0997 115.0063 53.7247 33.9845 174.4345 96 P 4.4734 0.0000 0.0000 62.3973 32.4830 176.6735 97 Y 4.2168 9.2161 126.2048 61.8443 38.4364 179.2363 98 E 4.0001 8.3457 116.8849 60.7572 29.8451 179.8782 99 E 4.4212 7.8847 115.4482 58.4106 29.7812 178.7303 100 I 4.0715 7.3495 119.7440 62.7427 37.5464 176.3635 101 V 4.0292 6.9283 121.9360 61.4801 31.2282 174.8835 102 K 4.5351 8.5393 126.5664 56.3421 34.5533 176.2574 103 E 4.7529 7.7212 114.0024 53.7855 32.6306 174.7867 104 K 4.2210 8.5059 121.6618 56.5381 32.8556 176.7968 105 V 4.5748 8.8496 125.1989 60.4053 34.1989 175.0369 106 W 4.9843 8.6666 124.7697 53.5881 29.1308 173.8008 107 P 4.5359 0.0000 0.0000 61.1536 33.1061 174.5583 108 P 3.5205 0.0000 0.0000 66.1104 31.0391 179.1991 109 S 4.3205 8.8092 113.9934 61.4667 62.6497 177.1208 110 G 3.8650 8.0431 108.1186 47.7789 0.0000 174.9753 111 D 4.6943 9.1145 121.0991 57.5738 41.2985 177.9943 112 H 4.3143 8.5434 118.5389 59.4469 29.7042 176.5005 113 Y 4.0357 7.7710 119.8105 60.8982 38.7491 177.8283 114 I 3.6170 7.9802 119.5692 64.4109 37.3683 178.4590 115 K 4.4952 8.4952 119.3120 59.3875 31.7253 178.9676 116 H 4.7069 8.4377 115.1856 57.6139 29.3219 176.1479 *118 Y 4.6775 7.7989 119.0066 57.7558 40.0967 177.0771 119 F 4.2798 8.8836 121.5448 61.6595 39.4749 177.0170 120 N 4.2466 8.2448 115.3868 56.2045 38.1065 177.2942 121 A 3.9754 7.7242 122.0609 54.4876 18.5418 179.2753 122 F 4.3456 8.2852 115.3752 60.4764 39.2843 177.5169 123 A 4.1598 7.9920 118.8448 51.9312 18.8612 177.4058 124 R 4.2278 7.0386 116.5192 54.1028 32.0333 175.8645 125 E 3.9403 8.7084 124.2616 58.9741 30.3033 176.5461 126 N 4.5117 8.1112 118.3592 52.8574 39.4745 175.1825 127 A 4.0817 8.8625 127.8825 55.0573 18.2534 178.7414 128 A 3.9594 8.7182 120.0097 55.5483 18.1271 179.8137 129 F 3.9817 8.3036 115.8277 60.9995 38.4595 178.0704 130 T 3.9409 7.9141 114.8067 66.4963 68.2466 176.7993 131 I 3.2706 7.8540 120.8135 64.2966 37.3227 177.8684 132 A 4.3779 8.2777 121.4371 55.1270 17.9307 179.5455 133 A 4.5419 7.6006 115.4255 52.8176 18.3444 178.1348 *135 A 4.6753 7.9492 125.0594 53.0109 20.7498 178.1328 136 P 4.3092 0.0000 0.0000 65.3089 31.2771 177.9310 137 C 4.7035 8.5913 119.4401 61.6290 31.5079 173.6274 138 P 4.3618 0.0000 0.0000 65.7967 31.0228 177.7795 139 Y 4.2383 8.3191 119.4159 60.6157 38.7965 177.9369 140 V 3.5225 8.2956 119.5555 66.4438 31.5683 177.6038 141 Y 3.8374 8.2307 115.6702 60.8182 37.5244 178.4182 142 A 4.5160 8.3521 123.3286 54.6992 18.5296 179.8479 143 V 3.3785 7.7070 116.7968 66.0720 31.4755 178.2505 144 I 3.9697 7.9702 119.6909 64.4255 36.7979 178.5904 145 G 3.9256 8.2328 105.2693 48.0587 0.0000 175.5536 146 K 4.1809 8.1254 120.1729 58.9073 32.1007 179.2236 147 R 3.9269 7.9476 117.9995 58.9912 30.4444 180.2723 148 A 4.4251 8.2622 123.9634 51.0375 18.0969 178.5308 *150 E 4.1824 8.1213 120.1654 57.0376 31.8353 175.6727 151 D 4.6322 7.8421 120.8416 52.3024 41.7552 175.3234 152 P 4.3321 0.0000 0.0000 65.1440 31.4337 177.3184 153 K 4.0781 8.3184 117.5620 57.3161 32.2498 176.9120 154 L 3.8229 7.6913 122.4536 54.8776 41.8967 176.1289 155 N 4.5721 8.9316 126.0960 52.7215 37.7336 175.3797 156 K 4.2920 8.3766 125.0620 58.0203 32.6385 178.4860 157 E 4.1624 8.2375 118.1061 58.0309 30.0484 176.9389 158 S 4.6564 7.6777 112.7603 57.0778 63.5393 175.3885 159 V 3.8093 8.4621 119.7659 64.3501 31.3595 178.7059 160 T 3.7238 7.8687 109.6535 64.6606 68.2322 176.1465 161 S 4.5362 8.2773 117.1060 61.5024 62.7546 176.7046 162 K 4.1763 8.3807 122.0428 58.5838 31.8282 179.1557 163 W 4.0460 8.1228 128.9308 60.5700 30.7116 178.0383 164 F 4.3883 8.4556 117.2986 60.6204 36.9063 177.2079 165 Q 4.0542 8.4963 119.2409 59.1165 28.7990 178.0057 166 F 3.8569 8.3465 121.6388 61.7436 39.3660 176.8128 167 Y 4.1500 7.6943 115.3217 60.3287 37.3783 178.2749 168 S 4.3285 8.0655 115.0248 60.6831 63.1144 175.0803 169 T 4.5992 7.0242 108.5461 62.3445 70.5893 174.9454 170 E 3.9249 7.5868 122.4305 56.1322 28.9791 177.6199 *172 D 4.7267 8.1826 119.9844 54.4865 43.3396 178.0859 173 E 3.9216 8.1292 118.7469 59.2471 29.5649 178.5062 174 L 3.8822 7.8599 119.9188 57.9248 42.1405 178.7836 175 V 3.7657 7.8108 117.8081 66.0975 31.5590 177.2865 176 D 4.3003 8.1528 117.6184 57.3686 41.0229 178.3875 177 V 3.3769 7.8496 118.8362 65.9803 31.2209 177.9249 178 F 4.5900 8.1960 116.5306 60.8314 38.8265 177.0320 179 D 4.5283 8.3056 117.5805 57.5110 40.8777 178.5681 180 Q 4.2036 8.1700 118.3826 58.8554 28.6960 179.8355 181 L 4.3198 7.9770 117.4069 55.3728 40.9331 178.8523 *183 D 4.5317 8.0473 120.6978 54.5538 42.6222 178.0786 184 R 3.8278 8.1946 118.6096 59.5393 29.9166 178.5742 185 L 4.0994 8.2408 117.3260 56.7347 41.9233 178.3719 186 T 4.1137 7.0121 108.9832 61.1413 68.8848 176.3028 187 K 3.6412 7.2424 121.5364 59.6345 32.1938 177.3303 188 H 4.8658 7.7909 112.2372 55.5521 29.3034 173.8831 189 C 4.4992 7.5540 117.6246 59.2151 28.7284 174.4106 190 S 4.4492 8.9777 118.2133 57.8592 64.9382 175.3158 191 E 3.8823 8.5964 121.5782 59.8028 29.1146 179.8179 192 T 3.8800 7.8305 115.2348 66.6152 68.5298 176.2206 193 E 4.1140 8.1482 120.3840 59.5757 29.5062 179.5605 194 K 3.6660 8.0798 118.4645 59.2238 31.9731 179.2225 195 K 3.9243 8.1799 119.7839 59.7200 32.1030 178.7455 196 E 4.0799 8.2474 118.7930 59.4138 29.4907 179.4870 197 I 3.5803 7.9847 120.2549 64.0625 37.1527 178.3110 198 K 3.8494 8.5477 120.8919 59.6887 32.0687 178.6327 199 E 4.0338 8.5529 119.0656 59.4802 29.3402 178.9338 200 N 4.5232 8.5257 116.6732 56.4767 38.6574 177.2215 201 F 4.5384 8.1594 122.8285 60.8882 39.5388 177.3156 202 L 4.0750 8.2625 118.6992 57.7672 41.4068 179.4068 203 Q 3.8017 8.5526 118.4071 59.2208 28.2237 179.3068 204 S 3.9253 8.1136 115.8631 61.5166 62.7813 177.0040 205 T 3.8041 7.6053 118.7030 66.5215 68.1022 176.7917 206 I 3.5353 7.6688 121.7642 64.6539 37.0030 178.0865 207 H 3.9817 8.2042 117.2255 58.8435 28.4686 177.6539 208 E 3.9099 7.9205 120.3194 59.2662 29.2910 179.3030 209 R 4.0337 7.8608 118.5997 60.0305 29.9698 178.4086 210 H 4.3831 8.1474 114.7085 58.4956 28.6722 177.4514 211 F 3.9997 8.3828 122.3744 61.2665 39.6108 176.8028 212 F 4.0324 7.9588 117.4115 60.2706 38.7930 178.2853 213 N 4.7281 8.2854 116.9533 53.5372 38.7934 176.6045 *215 A 4.2898 8.0316 123.1835 52.0266 20.8458 179.1414 216 Y 4.4758 8.3865 116.1130 60.4324 38.8477 176.9221 217 I 4.0939 7.9387 109.5988 59.6371 38.3641 174.5358 218 N 4.0818 7.6775 116.8479 54.5772 37.4688 174.1108 219 E 4.0055 7.9926 117.6305 56.1446 30.5995 175.4249 220 K 4.4990 7.8823 123.1432 54.8491 35.5077 175.5686 221 W 3.8977 8.5127 120.5346 56.9092 29.1207 176.2697 222 E 4.3928 8.4303 123.6199 55.0176 28.7141 175.2966 223 Y 4.5771 8.1525 119.9491 58.5141 38.5905 176.2872 224 G 3.9502 7.8203 109.3376 44.0777 0.0000 172.9812 225 G 3.7956 8.3835 108.7669 44.9984 0.0000 173.1161 226 N 4.0777 8.3369 113.3973 54.2697 35.8379 174.4902 227 N 4.5492 7.7710 118.0471 53.4244 38.8731 175.7999 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 -7 H 8.30 4.82 0.00 3.31 3.41 0.00 5.84 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -6 E 8.35 4.01 0.00 2.15 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 0.00 2.42 2.45 0.00 -5 N 8.58 4.41 0.00 2.68 2.80 0.00 0.00 6.88 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 -4 L 7.83 3.93 0.00 1.71 1.57 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 7.68 4.92 0.00 2.89 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 -2 F 8.48 4.83 0.00 2.93 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 Q 9.29 2.99 0.00 1.73 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.30 0.00 0.00 0.00 0.00 0.00 1.64 1.16 0.00 0 G 7.89 3.41 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 0.00 -5 T 8.33 4.02 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 -4 F 7.97 4.21 0.00 3.23 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 -3 S 7.87 4.84 0.00 3.75 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 -2 K 8.47 4.53 0.00 1.63 1.69 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.48 7.81 -1 E 9.39 3.00 0.00 1.67 1.79 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 1.59 1.47 0.00 0 L 7.72 3.79 0.00 1.55 1.62 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 8 R 7.31 3.87 0.00 1.74 1.77 0.00 2.87 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.25 0.00 9 E 8.06 4.00 0.00 2.02 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 2.51 2.32 0.00 10 A 7.90 4.09 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 11 S 8.00 4.41 0.00 4.21 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 0.00 12 R 7.82 4.04 0.00 2.05 2.08 0.00 3.30 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.16 0.00 13 P 0.00 4.28 0.00 2.18 2.12 0.00 3.77 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 14 I 7.73 3.78 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.60 0.90 0.00 0.00 15 I 7.77 3.75 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.00 0.89 0.00 0.00 16 D 8.37 4.34 0.00 2.90 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 17 D 7.75 4.38 0.00 2.87 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.95 3.85 2.06 0.00 0.00 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 1.48 1.18 0.92 0.00 0.00 19 Y 8.43 3.95 0.00 3.11 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 20 N 7.84 4.72 0.00 2.85 2.83 0.00 0.00 7.08 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 21 D 7.28 4.59 0.00 2.81 2.44 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 22 G 8.26 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 7.07 3.61 0.00 2.89 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 24 I 7.35 3.53 1.77 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.15 0.56 0.00 0.00 25 Q 7.75 3.72 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 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4.35 0.00 3.08 2.92 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 0.00 123 A 7.99 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 R 7.04 4.23 0.00 1.71 1.20 0.00 2.96 0.00 0.00 2.87 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.03 0.00 125 E 8.71 3.94 0.00 1.88 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 2.28 2.28 0.00 126 N 8.11 4.51 0.00 2.89 3.04 0.00 0.00 7.05 8.75 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 0.00 127 A 8.86 4.08 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 0.00 128 A 8.72 3.96 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 0.00 129 F 8.30 3.98 0.00 3.17 3.38 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 0.00 130 T 7.91 3.94 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 1.03 0.00 0.00 131 I 7.85 3.27 1.75 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.46 0.46 0.00 0.00 132 A 8.28 4.38 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 7.60 4.54 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 *135 A 7.95 4.68 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.31 0.00 2.04 1.76 0.00 3.55 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 1.68 0.44 0.00 137 C 8.59 4.70 0.00 3.18 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 0.00 138 P 0.00 4.36 0.00 2.48 2.41 0.00 4.13 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 2.65 2.43 0.00 139 Y 8.32 4.24 0.00 3.33 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 0.00 140 V 8.30 3.52 2.39 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 1.10 0.00 0.00 1.02 0.00 0.00 141 Y 8.23 3.84 0.00 3.00 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 0.00 142 A 8.35 4.52 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.71 3.38 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 0.87 0.00 0.00 0.17 0.00 0.00 144 I 7.97 3.97 1.99 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 1.68 0.73 1.29 0.00 0.00 145 G 8.23 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 0.00 146 K 8.13 4.18 0.00 1.77 1.88 0.00 1.71 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.59 7.81 147 R 7.95 3.93 0.00 1.64 1.73 0.00 2.21 0.00 0.00 2.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.29 0.00 148 A 8.26 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *150 E 8.12 4.18 0.00 1.96 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 2.39 2.22 0.00 151 D 7.84 4.63 0.00 2.91 2.59 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 0.00 152 P 0.00 4.33 0.00 2.20 2.16 0.00 3.80 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 1.97 1.98 0.00 153 K 8.32 4.08 0.00 1.80 1.83 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.48 7.81 154 L 7.69 3.82 0.00 1.61 1.61 0.72 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 155 N 8.93 4.57 0.00 2.77 2.78 0.00 0.00 6.79 7.09 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 0.00 156 K 8.38 4.29 0.00 1.80 1.86 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.62 7.81 157 E 8.24 4.16 0.00 2.09 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 2.35 2.40 0.00 158 S 7.68 4.66 0.00 3.94 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 V 8.46 3.81 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 0.90 0.00 0.00 1.10 0.00 0.00 160 T 7.87 3.72 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 -0.16 0.00 0.00 161 S 8.28 4.54 0.00 4.18 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 0.00 162 K 8.38 4.18 0.00 2.14 1.97 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.31 7.81 163 W 8.12 4.05 0.00 3.32 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 0.00 164 F 8.46 4.39 0.00 3.46 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 Q 8.50 4.05 0.00 2.33 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 166 F 8.35 3.86 0.00 3.08 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 0.00 167 Y 7.69 4.15 0.00 2.92 3.10 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 0.00 168 S 8.07 4.33 0.00 4.07 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 0.00 169 T 7.02 4.60 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 1.17 0.00 0.00 170 E 7.59 3.92 0.00 1.16 1.36 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 1.62 1.47 0.00 *172 D 8.18 4.73 0.00 2.72 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 E 8.13 3.92 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 174 L 7.86 3.88 0.00 1.81 1.64 0.51 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 175 V 7.81 3.77 2.33 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 1.30 0.00 0.00 1.17 0.00 0.00 176 D 8.15 4.30 0.00 2.92 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 0.00 177 V 7.85 3.38 1.49 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 0.16 0.00 0.00 0.37 0.00 0.00 178 F 8.20 4.59 0.00 3.20 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 0.00 179 D 8.31 4.53 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 0.00 180 Q 8.17 4.20 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 181 L 7.98 4.32 0.00 1.91 1.72 1.07 1.30 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 *183 D 8.05 4.53 0.00 2.85 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 0.00 184 R 8.19 3.83 0.00 1.93 2.03 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 185 L 8.24 4.10 0.00 1.62 1.85 0.93 0.89 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 0.00 186 T 7.01 4.11 3.47 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 0.59 0.00 0.00 187 K 7.24 3.64 0.00 1.94 1.61 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.31 7.81 188 H 7.79 4.87 0.00 3.08 3.22 0.00 5.70 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 C 7.55 4.50 0.00 2.86 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 S 8.98 4.45 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 E 8.60 3.88 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 192 T 7.83 3.88 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 1.26 0.00 0.00 193 E 8.15 4.11 0.00 2.16 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 2.60 2.46 0.00 194 K 8.08 3.67 0.00 1.83 1.87 0.00 1.52 0.00 0.00 1.37 0.00 0.00 2.59 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.77 1.33 7.81 195 K 8.18 3.92 0.00 1.91 2.01 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.49 7.81 196 E 8.25 4.08 0.00 2.49 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 2.45 2.66 0.00 197 I 7.98 3.58 1.94 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 0.14 0.21 0.98 0.00 0.00 198 K 8.55 3.85 0.00 1.87 1.99 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.32 7.81 199 E 8.55 4.03 0.00 2.11 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 2.36 2.58 0.00 200 N 8.53 4.52 0.00 3.08 3.03 0.00 0.00 6.65 7.71 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 0.00 201 F 8.16 4.54 0.00 3.08 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 0.00 202 L 8.26 4.08 0.00 1.77 1.72 0.95 0.98 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 0.00 203 Q 8.55 3.80 0.00 2.12 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 204 S 8.11 3.93 0.00 3.85 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 0.00 205 T 7.61 3.80 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 1.22 0.00 0.00 206 I 7.67 3.54 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.64 0.63 0.00 0.00 207 H 8.20 3.98 0.00 2.03 2.41 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 E 7.92 3.91 0.00 2.17 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 2.52 2.53 0.00 209 R 7.86 4.03 0.00 1.91 2.02 0.00 3.11 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 210 H 8.15 4.38 0.00 3.27 3.34 0.00 5.73 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 F 8.38 4.00 0.00 3.16 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 0.00 212 F 7.96 4.03 0.00 3.02 2.59 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 0.00 213 N 8.29 4.73 0.00 3.02 2.83 0.00 0.00 7.11 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 *215 A 8.03 4.29 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 Y 8.39 4.48 0.00 3.25 3.32 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 0.00 217 I 7.94 4.09 1.86 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 0.78 1.04 0.00 0.00 218 N 7.68 4.08 0.00 2.94 2.86 0.00 0.00 7.04 7.53 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 0.00 219 E 7.99 4.01 0.00 1.88 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 2.06 2.14 0.00 220 K 7.88 4.50 0.00 1.83 1.67 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.25 1.41 7.81 221 W 8.51 3.90 0.00 2.82 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 0.00 0.00 0.00 0.00 222 E 8.43 4.39 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.19 0.00 223 Y 8.15 4.58 0.00 3.01 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 0.00 224 G 7.82 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 0.00 225 G 8.38 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 0.00 226 N 8.34 4.08 0.00 2.80 2.82 0.00 0.00 6.78 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 N 7.77 4.55 0.00 2.72 2.72 0.00 0.00 7.07 7.56 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 * Residues marked with a * may have inaccurate shift predictions.