NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 K 4.4309 8.1733 124.0487 55.1187 34.0297 174.2336 13 E 4.8888 8.6556 121.0025 53.7749 33.5630 173.6042 14 M 4.7524 8.9051 122.2002 53.9525 36.2741 173.6243 15 R 4.8062 9.8920 128.3544 55.9857 31.4933 174.8492 16 I 4.9859 9.2975 128.3549 59.4618 40.1649 174.3861 17 L 4.8691 8.7065 129.1807 53.6477 43.9989 174.5169 18 M 5.0055 9.4461 127.5048 54.1458 33.9325 174.5430 19 L 4.4428 9.9310 125.9672 52.0389 46.2382 175.8258 20 G 3.9482 7.4588 106.7524 43.8043 0.0000 172.3742 21 L 4.3761 7.6424 120.3950 53.7547 42.3566 176.6964 22 D 4.3092 8.3921 119.6720 55.1067 39.5498 176.5762 23 A 3.7667 8.8271 122.8786 52.4405 16.1741 178.8091 24 A 3.9907 7.4937 120.7482 55.7739 18.7293 178.6525 25 G 3.8363 8.4266 103.4088 45.6720 0.0000 175.8214 26 K 3.8448 8.3471 121.4413 59.7673 32.0861 179.3530 27 T 4.0186 7.6665 116.6908 66.2474 68.3221 176.7674 28 T 3.9053 7.8565 117.2859 66.6434 68.4357 176.4598 29 I 3.4708 7.7084 121.5565 64.1359 37.1028 178.0098 30 L 3.6874 7.7740 121.2335 58.5777 41.7587 178.6517 31 Y 4.3877 7.7312 115.8648 60.1584 37.8434 177.9662 32 K 4.5279 8.2323 122.7959 58.9393 32.0879 178.8561 33 L 3.8591 7.6810 118.1556 57.7633 41.6431 179.1167 34 K 4.1913 8.0991 118.1410 58.4044 32.2939 177.8282 35 L 4.6414 8.4450 117.6167 53.4387 42.6161 178.1734 36 G 3.9196 8.3319 108.7402 46.2715 0.0000 173.7686 *37 Q 4.6497 7.4904 117.1051 52.8291 31.9217 179.1369 38 S 4.9038 8.4852 111.9036 57.7953 63.1395 173.9048 39 V 4.4342 8.0784 120.6437 59.6773 33.9067 175.5230 40 T 4.2185 8.2154 119.0616 63.3426 69.1273 174.5332 41 T 4.6605 8.2460 114.9090 59.7432 71.6361 172.9103 42 I 4.4914 7.8447 121.2600 58.0355 40.3563 173.4036 43 P 4.2355 0.0000 0.0000 63.4786 31.9708 175.9148 44 T 4.3570 8.5244 119.4447 62.9495 69.0783 175.6353 45 V 4.4417 8.5237 119.0333 61.0920 35.1733 176.4588 46 G 4.1500 8.3925 104.1994 45.8051 0.0000 175.2701 47 F 5.5788 8.9289 111.8397 55.6967 41.6212 174.0499 48 N 5.3005 9.4073 116.9362 51.6085 42.3816 174.0840 49 V 4.6452 8.0505 119.6383 60.4434 34.3774 173.7990 50 E 4.7578 8.6790 121.6259 55.1586 34.6306 174.0012 51 T 5.0922 8.4434 117.3500 61.8729 70.7664 173.9154 52 V 4.5616 9.0387 125.9223 61.4020 34.8982 174.0241 53 T 5.0971 8.6909 123.8658 62.1468 70.3594 173.6051 54 Y 4.7222 9.6965 129.6950 58.3178 42.6066 175.3819 55 K 3.5623 8.9763 128.8852 56.1369 28.8694 171.0265 56 N 4.2598 7.9858 109.0722 54.5467 36.8324 174.8528 57 V 4.3390 7.8133 117.2613 60.8746 34.9381 174.5508 58 K 4.6691 8.5484 127.7164 56.0764 32.7975 176.2312 59 F 5.0038 10.1122 126.7459 56.2456 40.4546 175.4016 60 N 5.0086 9.4402 125.5331 52.6914 39.5941 173.5273 61 V 4.7715 8.6015 127.4950 61.0678 33.6432 174.3945 62 W 4.8894 9.5911 129.2793 55.5446 30.7265 175.2142 63 D 4.7980 9.1675 127.0143 53.0129 41.0838 174.6555 64 V 4.3398 7.8659 126.0118 60.5267 33.1591 175.7290 65 G 4.2783 8.1501 114.8505 46.4378 0.0000 173.4795 66 G 4.6509 9.1421 111.2060 44.1908 0.0000 173.7920 67 Q 4.3347 7.9426 118.8653 55.8529 29.3166 176.9744 68 D 4.2617 8.8931 120.2704 57.0733 38.9305 179.2863 69 K 3.9714 8.0791 118.2129 57.8515 32.3781 178.0273 70 I 4.3449 7.4969 111.3194 60.7616 38.0600 177.5258 71 R 2.5276 7.3866 121.3707 58.5730 29.5078 176.7670 72 P 4.2918 0.0000 0.0000 64.7810 31.7296 177.2346 73 L 4.3656 7.9225 118.1366 56.5213 42.3746 178.9087 74 W 4.7304 8.4233 119.9176 60.1802 29.1192 178.5364 75 R 2.0000 7.7386 114.4673 58.1646 28.5901 177.3401 76 H 4.4733 7.6661 115.0349 56.5371 28.9782 175.5778 77 Y 4.3044 7.4308 117.7705 58.0655 38.4990 176.6911 78 Y 4.6074 7.6388 119.1906 59.8842 37.8212 175.8553 79 T 3.9137 6.9945 113.2806 63.2166 67.4163 173.7285 80 G 3.9603 8.9707 116.6955 45.5312 0.0000 173.1931 81 T 4.0821 7.7333 117.1219 63.6492 68.7293 174.2350 82 Q 4.4871 9.1866 124.6174 56.1213 31.7872 175.8537 83 G 4.2724 7.7491 105.1156 44.2127 0.0000 171.1878 84 L 5.0897 9.2522 126.5811 53.6241 44.0419 175.0525 85 I 4.7508 8.8562 128.0721 59.8042 39.2644 174.3423 86 F 5.0136 9.3577 131.0188 56.3990 41.2194 174.1410 87 V 4.8116 7.9423 126.8629 61.1927 33.6873 174.5421 88 V 4.3998 8.4586 126.9532 60.9861 35.0870 174.0056 89 D 4.7890 8.6061 127.2111 53.6162 41.3492 176.4507 90 C 4.3191 8.9746 124.7404 61.3884 28.4547 175.7414 91 A 4.1321 8.1110 122.0014 53.5387 19.0842 177.7710 92 D 4.6922 7.7442 118.1634 52.7766 39.2710 176.9343 93 R 4.0244 7.8647 122.3746 58.7659 30.8341 179.0179 94 D 4.4833 8.1342 116.4583 56.4205 41.0374 176.9918 95 R 4.5904 7.9675 116.1999 55.4766 31.3820 177.3074 96 I 3.6691 7.5482 119.0622 64.0782 37.7826 177.2616 97 D 4.3591 8.0125 118.5900 56.8745 41.1442 177.6900 98 E 4.0821 8.1622 119.3506 59.1026 29.7032 178.2630 99 A 4.2379 8.3558 121.1608 55.3334 18.4443 179.5285 100 R 3.7755 8.0964 116.9975 59.7951 30.2322 178.7826 101 Q 4.0273 8.1304 117.7705 59.0172 28.6875 178.7313 102 E 4.0913 8.5533 119.7822 59.1365 29.6092 178.8465 103 L 3.3926 7.9460 120.5169 58.6456 41.8731 179.0179 104 H 4.0949 8.1417 115.7095 58.5905 28.3051 178.0849 105 R 3.9769 7.7898 119.3762 59.2071 30.2210 178.6861 106 I 4.1172 8.1443 121.1137 63.8826 37.0224 178.3457 107 I 3.8783 7.3827 111.0837 62.7515 37.8118 176.7569 108 N 4.6641 7.6015 116.7490 52.6246 39.0793 174.4439 109 D 4.5061 7.7875 125.0035 54.2654 42.1022 177.3944 110 R 3.9670 9.0141 125.2153 59.7539 29.6667 175.0743 111 E 4.2316 9.3154 117.3834 58.2737 29.8242 177.9419 112 M 4.5201 8.1413 118.5217 54.5643 32.7315 177.6848 113 R 3.8982 7.7207 117.3111 59.0116 29.4051 177.3030 114 D 4.7700 8.0107 114.9794 53.6623 41.1070 175.1926 115 A 4.9253 7.9387 122.3274 49.9133 19.6720 178.5352 116 I 4.2476 8.5507 116.4062 61.1129 39.7900 175.0767 117 I 5.0531 8.9919 123.7592 59.6824 40.2974 174.2377 118 L 4.5576 9.0813 130.7086 53.6359 43.8515 175.0970 119 I 4.6978 8.3762 128.1315 60.1076 39.0618 174.9531 120 F 5.1080 8.7373 126.9686 56.7137 40.0124 175.1747 121 A 4.8902 9.0360 128.4926 51.0297 17.8083 175.9081 122 N 5.0203 8.9099 120.2692 52.3592 41.6259 174.1970 123 K 4.1420 8.4238 117.4169 57.8884 28.9539 178.7295 124 Q 4.1002 7.9918 120.0269 58.6525 29.0320 178.0742 125 D 4.4648 8.1381 117.3633 55.8426 39.6918 176.6833 126 L 4.3720 7.7405 120.3219 53.4630 42.4289 176.1708 127 P 4.1518 0.0000 0.0000 66.8585 31.3097 177.9828 *128 D 4.5258 8.0135 113.7663 53.1229 39.7487 177.4550 129 A 4.3706 7.5432 122.0523 53.1467 18.7406 177.9949 130 M 4.1927 8.8315 123.7553 56.0561 32.6474 176.9443 131 K 4.5178 8.5691 122.4844 54.7314 34.5020 175.9135 132 P 4.1497 0.0000 0.0000 66.1844 31.1662 178.2853 133 H 4.1404 8.2421 116.3168 59.4518 29.7813 176.6923 134 E 3.8740 8.1139 120.3883 59.2864 29.5228 178.5983 135 I 3.6773 7.9635 120.0210 64.3921 37.3007 178.0521 136 Q 3.8014 8.5106 120.7404 59.3102 28.9307 178.4243 137 E 3.9924 8.1103 119.2534 59.2160 29.4386 179.2016 138 K 4.1423 8.3981 117.2219 58.1894 32.2075 178.2535 139 L 4.4471 7.6910 117.7178 53.2121 42.6125 176.2759 140 G 3.9395 7.8472 107.4579 46.4110 0.0000 176.2304 141 L 3.4389 7.3838 121.2138 56.9554 41.6354 179.5567 142 T 4.3834 7.5450 106.7261 63.2852 68.9829 175.2593 143 R 4.0735 7.6944 120.2941 57.3110 30.3853 176.4256 144 I 4.2469 7.6426 120.0572 60.3442 36.6146 175.3202 145 R 4.7402 8.6512 122.9833 55.7971 30.9604 176.1883 146 D 4.9487 7.8799 115.7959 52.5866 40.0560 175.5618 147 R 4.5480 7.3975 113.6128 55.4323 31.8188 173.9108 148 N 4.8061 8.4861 116.9879 53.2903 39.7675 174.1839 149 W 6.3000 8.0488 118.1489 55.1608 31.9702 173.2699 150 Y 4.5908 8.0865 119.0936 56.5266 41.5977 173.0894 151 V 4.2714 7.6604 126.1860 61.3346 33.0027 174.5307 152 Q 4.4344 8.6622 131.3873 53.3979 30.4762 173.0524 153 P 5.0041 0.0000 0.0000 63.3510 32.6322 175.3758 154 S 4.8872 8.8845 115.3917 57.4445 67.1430 172.9435 155 C 4.8163 8.7926 118.3560 57.8543 30.1481 174.8376 156 A 3.7802 8.7752 128.8363 55.1349 18.2980 178.8913 157 T 3.9747 7.8858 105.3156 64.4163 68.8763 175.3981 158 S 4.3095 8.0003 114.3848 58.1509 63.6638 175.0336 159 G 3.8965 8.2789 110.2161 45.1215 0.0000 172.9792 160 D 4.5079 7.4163 121.1200 55.4902 41.3641 176.9224 161 G 4.2981 8.5854 110.7142 46.9717 0.0000 175.9422 162 L 3.7048 7.6447 119.4468 58.1610 41.6068 179.1224 163 Y 3.6426 7.7023 115.9118 60.6288 37.7332 178.1698 164 E 4.2688 8.4099 119.6587 59.2190 29.6840 179.2027 165 G 3.7811 8.5091 105.8277 48.0547 0.0000 175.6360 166 L 3.8175 8.1985 122.2969 57.5561 41.4811 179.7580 167 T 4.1309 8.6992 116.0534 66.5243 68.5732 176.3109 168 W 4.0004 8.5090 130.2319 60.3800 30.4358 177.9135 169 L 3.9596 8.0435 117.7534 58.1776 40.9426 179.3674 170 T 4.0919 8.0766 115.2856 67.0107 68.2803 176.6481 171 S 4.1200 7.9408 115.8582 61.1908 62.8691 175.8773 172 N 4.5372 7.1590 115.4288 52.6482 38.6454 174.2492 173 Y 4.2725 7.4554 127.0931 57.6404 39.0165 175.1948 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 12 K 8.17 4.43 0.00 1.47 1.76 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.05 7.81 13 E 8.66 4.89 0.00 1.86 1.82 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 2.18 2.35 0.00 14 M 8.91 4.75 0.00 2.03 1.68 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.46 0.00 15 R 9.89 4.81 0.00 1.95 1.96 0.00 3.16 0.00 0.00 3.33 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 16 I 9.30 4.99 2.08 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.89 0.93 0.00 0.00 17 L 8.71 4.87 0.00 1.77 1.51 0.85 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 18 M 9.45 5.01 0.00 2.13 1.88 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 19 L 9.93 4.44 0.00 1.31 0.79 0.21 0.43 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 20 G 7.46 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 21 L 7.64 4.38 0.00 1.75 1.66 1.02 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.39 4.31 0.00 2.80 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 23 A 8.83 3.77 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 24 A 7.49 3.99 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 25 G 8.43 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.35 3.84 0.00 1.80 1.84 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.43 7.81 27 T 7.67 4.02 4.26 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 1.35 0.00 0.00 28 T 7.86 3.91 4.34 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 1.17 0.00 0.00 29 I 7.71 3.47 1.87 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.56 0.67 0.00 0.00 30 L 7.77 3.69 0.00 1.46 1.33 0.71 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 7.73 4.39 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 32 K 8.23 4.53 0.00 1.88 1.72 0.00 1.73 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.36 7.81 33 L 7.68 3.86 0.00 1.69 1.60 0.67 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.10 4.19 0.00 1.75 2.01 0.00 1.71 0.00 0.00 1.82 0.00 0.00 3.15 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.61 7.81 35 L 8.44 4.64 0.00 1.88 1.68 0.81 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.33 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *37 Q 7.49 4.65 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.75 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 38 S 8.49 4.90 0.00 3.81 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 0.00 39 V 8.08 4.43 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 0.75 0.00 0.00 1.00 0.00 0.00 40 T 8.22 4.22 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 1.20 0.00 0.00 41 T 8.25 4.66 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 1.27 0.00 0.00 42 I 7.84 4.49 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 1.42 0.95 0.91 0.00 0.00 43 P 0.00 4.24 0.00 2.09 2.01 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 44 T 8.52 4.36 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 1.31 0.00 0.00 45 V 8.52 4.44 2.12 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 0.74 0.00 0.00 0.95 0.00 0.00 46 G 8.39 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 0.00 0.00 0.00 47 F 8.93 5.58 0.00 3.09 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 48 N 9.41 5.30 0.00 2.56 2.70 0.00 0.00 6.86 7.94 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 49 V 8.05 4.65 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 0.00 0.00 0.43 0.00 0.00 -0.48 0.00 0.00 50 E 8.68 4.76 0.00 1.77 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 2.12 2.37 0.00 51 T 8.44 5.09 4.26 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 1.26 0.00 0.00 52 V 9.04 4.56 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 1.18 0.00 0.00 0.98 0.00 0.00 53 T 8.69 5.10 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 1.26 0.00 0.00 54 Y 9.70 4.72 0.00 3.24 3.27 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 55 K 8.98 3.56 0.00 1.89 1.65 0.00 2.01 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.01 7.81 56 N 7.99 4.26 0.00 2.79 2.87 0.00 0.00 6.90 7.68 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 57 V 7.81 4.34 1.68 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 0.28 0.00 0.00 0.83 0.00 0.00 58 K 8.55 4.67 0.00 1.83 1.75 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.45 1.29 7.81 59 F 10.11 5.00 0.00 3.24 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 60 N 9.44 5.01 0.00 2.92 2.90 0.00 0.00 6.33 7.26 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 61 V 8.60 4.77 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 0.86 0.00 0.00 1.01 0.00 0.00 62 W 9.59 4.89 0.00 3.28 3.09 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 63 D 9.17 4.80 0.00 2.67 2.64 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 64 V 7.87 4.34 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.17 0.00 0.00 65 G 8.15 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 0.00 0.00 0.00 0.00 66 G 9.14 4.65 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 0.00 0.00 0.00 67 Q 7.94 4.33 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 68 D 8.89 4.26 0.00 2.91 2.95 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 69 K 8.08 3.97 0.00 1.99 1.91 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.07 7.81 70 I 7.50 4.34 1.95 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.02 0.95 0.00 0.00 71 R 7.39 2.53 0.00 1.47 1.03 0.00 2.88 0.00 0.00 2.63 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.39 0.00 72 P 0.00 4.29 0.00 2.00 2.08 0.00 3.59 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.02 0.00 73 L 7.92 4.37 0.00 2.07 1.94 1.04 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 74 W 8.42 4.73 0.00 3.51 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 75 R 7.74 2.00 0.00 1.54 1.81 0.00 2.85 0.00 0.00 3.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.20 0.00 76 H 7.67 4.47 0.00 3.07 3.11 0.00 5.62 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 7.43 4.30 0.00 2.90 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 78 Y 7.64 4.61 0.00 3.06 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 6.99 3.91 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 1.10 0.00 0.00 80 G 8.97 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 81 T 7.73 4.08 4.26 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 1.26 0.00 0.00 82 Q 9.19 4.49 0.00 1.75 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 83 G 7.75 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 0.00 0.00 0.00 84 L 9.25 5.09 0.00 1.68 1.54 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.86 4.75 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.60 0.90 0.00 0.00 86 F 9.36 5.01 0.00 2.99 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 87 V 7.94 4.81 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 0.88 0.00 0.00 0.93 0.00 0.00 88 V 8.46 4.40 2.12 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 0.92 0.00 0.00 1.09 0.00 0.00 89 D 8.61 4.79 0.00 2.78 2.55 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 90 C 8.97 4.32 0.00 3.16 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 91 A 8.11 4.13 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 92 D 7.74 4.69 0.00 2.73 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 93 R 7.86 4.02 0.00 1.91 1.96 0.00 3.18 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 94 D 8.13 4.48 0.00 2.67 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 7.97 4.59 0.00 2.03 1.92 0.00 3.36 0.00 0.00 3.10 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 96 I 7.55 3.67 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.23 0.94 0.00 0.00 97 D 8.01 4.36 0.00 2.75 2.64 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 98 E 8.16 4.08 0.00 2.09 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 0.00 2.44 2.41 0.00 99 A 8.36 4.24 1.58 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 0.00 0.00 100 R 8.10 3.78 0.00 2.04 2.13 0.00 2.99 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.83 0.00 101 Q 8.13 4.03 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.66 0.00 102 E 8.55 4.09 0.00 2.36 2.49 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 2.66 2.62 0.00 103 L 7.95 3.39 0.00 0.42 1.40 0.27 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.14 4.09 0.00 3.17 3.29 0.00 5.68 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 0.00 105 R 7.79 3.98 0.00 2.12 2.09 0.00 3.33 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.96 0.00 106 I 8.14 4.12 2.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.10 0.66 0.00 0.00 107 I 7.38 3.88 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.52 0.80 0.00 0.00 108 N 7.60 4.66 0.00 2.79 2.91 0.00 0.00 6.92 8.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 D 7.79 4.51 0.00 2.97 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 0.00 110 R 9.01 3.97 0.00 1.77 1.97 0.00 3.30 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.27 0.00 111 E 9.32 4.23 0.00 2.28 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 2.40 2.51 0.00 112 M 8.14 4.52 0.00 1.71 1.98 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.52 0.00 113 R 7.72 3.90 0.00 1.87 2.08 0.00 3.05 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.63 0.00 114 D 8.01 4.77 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 0.00 115 A 7.94 4.93 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.55 4.25 2.11 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.98 1.06 0.00 0.00 117 I 8.99 5.05 2.02 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.88 0.88 0.00 0.00 118 L 9.08 4.56 0.00 1.82 1.42 0.66 0.37 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 0.00 119 I 8.38 4.70 1.75 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 1.14 0.56 0.98 0.00 0.00 120 F 8.74 5.11 0.00 2.98 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 0.00 121 A 9.04 4.89 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 130 M 8.83 4.19 0.00 1.88 2.11 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.81 0.00 131 K 8.57 4.52 0.00 1.71 1.73 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.46 7.81 132 P 0.00 4.15 0.00 2.11 2.02 0.00 3.60 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 2.08 2.12 0.00 133 H 8.24 4.14 0.00 3.18 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.11 3.87 0.00 2.03 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 0.00 2.35 2.36 0.00 135 I 7.96 3.68 1.99 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 1.61 0.69 0.88 0.00 0.00 136 Q 8.51 3.80 0.00 2.14 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 137 E 8.11 3.99 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 138 K 8.40 4.14 0.00 1.65 1.85 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.61 7.81 139 L 7.69 4.45 0.00 1.52 1.51 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.85 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 0.00 0.00 0.00 141 L 7.38 3.44 0.00 0.36 0.13 0.34 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 142 T 7.55 4.38 4.38 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 1.43 0.00 0.00 143 R 7.69 4.07 0.00 2.00 2.02 0.00 3.11 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 144 I 7.64 4.25 1.84 0.00 0.00 0.46 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 0.35 1.04 0.00 0.00 145 R 8.65 4.74 0.00 1.81 1.96 0.00 3.41 0.00 0.00 3.45 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 146 D 7.88 4.95 0.00 2.78 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 0.00 147 R 7.40 4.55 0.00 1.98 1.96 0.00 3.11 0.00 0.00 3.47 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 148 N 8.49 4.81 0.00 2.83 3.12 0.00 0.00 6.33 7.68 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 0.00 149 W 8.05 6.30 0.00 3.24 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 0.00 150 Y 8.09 4.59 0.00 1.69 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 0.00 151 V 7.66 4.27 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 0.71 0.00 0.00 0.90 0.00 0.00 152 Q 8.66 4.43 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.68 2.62 0.00 153 P 0.00 5.00 0.00 2.16 2.16 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.96 0.00 154 S 8.88 4.89 0.00 3.64 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 0.00 155 C 8.79 4.82 0.00 2.81 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 0.00 156 A 8.78 3.78 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 0.00 157 T 7.89 3.97 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 0.00 158 S 8.00 4.31 0.00 4.00 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 0.00 159 G 8.28 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 0.00 160 D 7.42 4.51 0.00 2.68 2.62 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 0.00 0.00 0.00 0.00 161 G 8.59 4.30 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 0.00 162 L 7.64 3.70 0.00 1.21 1.22 0.62 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 163 Y 7.70 3.64 0.00 3.05 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 0.00 164 E 8.41 4.27 0.00 2.40 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 0.00 2.52 2.58 0.00 165 G 8.51 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 L 8.20 3.82 0.00 1.60 1.60 0.48 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 167 T 8.70 4.13 4.60 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 1.34 0.00 0.00 168 W 8.51 4.00 0.00 3.19 3.34 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 0.00 169 L 8.04 3.96 0.00 1.98 1.95 1.24 0.62 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 0.00 170 T 8.08 4.09 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 1.25 0.00 0.00 171 S 7.94 4.12 0.00 3.59 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 0.00 172 N 7.16 4.54 0.00 1.47 1.90 0.00 0.00 6.77 6.82 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 0.00 173 Y 7.46 4.27 0.00 2.81 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 * Residues marked with a * may have inaccurate shift predictions.