NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.2808 8.3101 120.1383 56.4942 33.5357 175.4792 6 A 4.0844 8.3845 124.3023 52.3974 19.5058 171.5526 7 V 4.4104 7.6046 116.8384 62.5828 32.4311 174.0464 8 T 4.5603 8.5342 117.4745 61.9414 70.8741 174.2546 9 G 4.2815 7.7222 107.7611 44.9408 0.0000 171.7437 10 V 4.9778 8.2099 118.8669 60.8962 34.9790 174.3821 11 A 4.8376 9.5438 127.0385 50.1057 23.0425 174.6001 12 L 5.1371 8.4868 120.9105 53.2203 45.0932 175.0515 13 D 4.9799 9.0366 125.4879 52.0755 44.1142 175.7157 14 L 5.0208 8.5250 125.0750 54.2164 43.6627 176.0568 15 D 4.9637 9.5843 117.9881 54.3164 42.2803 174.7210 16 H 5.5126 8.3467 111.6597 53.3117 32.6428 172.7635 17 A 4.7231 9.0672 122.8259 50.1561 22.3830 174.7538 18 Q 4.6235 8.7400 123.7100 55.0944 30.7888 174.3505 19 I 4.4680 8.2874 128.2043 59.7949 39.2270 174.8281 20 G 4.2220 9.1124 114.8157 44.5367 0.0000 172.5508 21 L 5.3618 9.3671 124.9263 52.9536 44.1191 175.3061 22 I 4.5195 8.6074 118.3165 59.6383 40.4379 176.5263 23 G 3.9531 8.9645 112.1445 46.0696 0.0000 173.1820 24 I 4.3738 7.4031 112.4760 57.8967 39.4855 173.3516 25 P 4.1906 0.0000 0.0000 63.5449 32.0793 176.9034 26 D 4.7183 8.3595 122.4244 53.2477 39.6705 175.5495 27 Q 4.7362 7.3223 120.2004 52.9019 32.6280 174.0597 28 P 4.3823 0.0000 0.0000 64.3633 32.0546 177.0644 29 G 3.9972 8.8904 108.7268 45.9938 0.0000 175.7521 30 I 3.7236 7.4284 120.5465 64.2749 37.3563 177.6042 31 A 4.1150 8.1773 120.8074 55.5512 18.0092 179.3387 32 A 3.9494 7.9779 118.2820 55.3536 18.4613 179.9152 33 K 3.9376 8.1625 116.9981 59.4353 32.1277 179.6357 34 V 3.5344 7.8504 118.4962 66.2869 31.4208 178.1528 35 F 3.8942 8.2696 117.1323 60.4879 38.4053 177.4987 36 Q 3.9653 8.5374 119.1879 58.9318 28.5525 178.2719 37 A 4.0030 8.0597 121.3606 55.2656 18.8206 179.3277 38 L 4.0228 7.8334 117.2250 57.8052 41.7284 179.7088 39 A 4.0291 8.2723 121.0021 55.0777 18.1510 179.3492 40 E 4.0663 7.8020 115.4788 58.4942 29.5794 178.5521 41 R 4.5420 7.7240 115.3013 55.1856 31.2804 176.5247 42 G 3.7805 7.8100 106.7159 45.4027 0.0000 173.2701 43 I 4.0485 7.3577 120.0851 59.7033 37.8569 175.7744 44 A 4.4787 8.4422 128.3711 51.7487 19.5105 176.3806 45 V 4.3823 7.9643 111.6616 60.0828 34.7408 174.7371 46 D 4.6268 9.1193 124.1681 54.9535 40.7570 175.7858 47 M 4.9408 8.6066 116.6259 53.8462 36.0043 174.3853 48 I 5.1955 8.1304 119.9333 60.0348 41.3642 173.5362 49 I 4.9357 9.0244 122.4728 59.5325 41.4857 173.5728 50 Q 5.3986 7.7314 119.2012 55.5685 31.3506 174.0595 51 G 3.8906 8.6988 109.0159 46.5547 0.0000 174.8592 52 V 3.9612 8.3421 121.2230 60.4415 32.4060 177.3799 53 P 4.6784 0.0000 0.0000 59.5551 28.9675 175.6818 54 G 4.5848 7.8349 123.8020 45.5645 0.0000 169.7197 *57 P 4.0774 0.0000 0.0000 63.3852 32.7811 179.2233 58 S 4.3551 8.9731 122.5185 58.3418 60.9864 171.2686 59 R 4.9479 7.6540 119.1096 54.2389 32.3699 174.6089 60 Q 4.8817 9.9024 126.6594 54.1738 33.4445 173.6065 61 Q 5.1553 8.5863 120.8493 54.5889 31.5063 173.8318 62 M 5.3454 9.5751 122.6568 53.7954 36.0315 173.8750 63 A 5.2760 9.0266 124.9535 50.7569 23.4643 174.8826 64 F 5.2929 8.6385 112.3747 56.3510 41.6639 173.1147 65 T 5.1889 8.8005 111.8109 60.6380 71.0926 173.8951 66 V 4.9076 8.7908 122.5387 59.5813 35.8829 174.5176 67 K 4.2559 8.7127 122.8138 56.1179 32.2520 177.6791 68 K 3.8225 8.5463 126.6289 60.0973 32.3172 178.7658 69 D 4.2617 7.7085 117.2767 56.2264 40.9418 177.6101 70 F 5.1028 7.5937 116.6503 57.1335 39.0898 177.4050 71 A 4.0197 7.4897 122.9756 55.5056 18.3021 180.4554 72 Q 3.9198 8.0317 117.4448 59.3911 29.2012 177.8526 73 E 4.0041 8.3062 119.5467 59.0873 29.6739 178.4328 74 A 4.0508 8.0574 120.6598 54.8368 18.1956 179.5157 75 L 4.0837 7.5401 116.4649 57.5886 41.8660 179.1406 76 E 4.1014 8.1589 118.1693 59.4399 29.2599 179.2707 77 A 4.0164 8.1043 119.3855 54.5625 18.7094 178.8714 78 L 4.3029 7.6895 116.2539 56.0901 42.0320 178.7915 79 E 3.9156 7.9040 120.4393 58.7301 29.1344 176.8297 80 P 4.2874 0.0000 0.0000 65.8343 31.0280 178.6485 81 V 3.6857 7.7144 118.5214 64.4721 31.6630 177.8247 82 L 3.9530 8.5118 121.2218 57.7986 41.5709 178.9854 83 A 3.9631 7.9411 120.1032 55.1434 18.4803 179.1277 84 E 4.1027 7.7160 114.1548 59.0131 30.0026 178.4343 85 I 4.1196 8.1161 113.0664 61.9085 38.7693 175.7624 86 G 3.6297 7.9760 105.5680 44.3345 0.0000 172.4121 87 G 3.8154 8.5422 106.9250 44.4111 0.0000 171.5676 88 E 4.7115 8.9878 118.6076 54.1907 32.5551 175.0318 89 A 4.9871 8.6558 128.5842 50.8690 20.4015 176.1958 90 I 4.4080 9.0448 124.0435 59.4301 40.2001 174.6656 91 L 4.7656 8.5036 129.2939 54.3479 43.7666 176.8072 92 R 4.4944 8.8220 124.8119 54.7255 32.5734 173.8023 93 P 4.3007 0.0000 0.0000 65.2633 32.6023 177.5755 94 D 4.8886 7.8716 120.3001 53.5410 38.2776 175.3300 95 I 4.7893 7.5516 112.1878 58.8478 41.1369 176.1494 96 A 4.8436 9.7881 126.4370 50.2279 22.0125 175.5761 97 K 4.7073 8.9436 124.0262 54.8390 33.3902 174.0522 98 V 4.8915 8.3966 127.3783 61.2647 33.1501 174.6807 99 S 5.2630 9.0627 121.8192 56.5858 67.1583 172.6628 100 I 4.8156 8.1628 113.8904 59.2817 40.3523 174.9706 101 V 4.7124 9.1716 117.9150 59.1725 35.0234 176.1470 102 G 3.9625 7.1526 109.6926 46.8371 0.0000 172.8015 103 V 4.1515 7.9014 120.6121 59.6070 33.1726 170.3769 104 G 3.8469 8.2255 117.3479 44.9344 0.0000 171.7918 105 L 4.4227 7.8411 122.1677 56.0664 43.7081 178.2474 106 A 4.0977 7.9410 120.8140 55.0855 17.7837 178.3209 107 S 4.0353 7.4495 111.5217 60.1215 63.5070 173.5158 108 T 3.7904 7.8428 121.7880 63.2075 68.1307 172.5062 109 P 4.1931 0.0000 0.0000 65.9929 31.4816 177.3064 110 E 4.4108 7.9205 115.6842 55.5082 29.8991 178.0052 111 V 3.7108 7.3125 120.0512 66.2644 31.5572 176.1414 112 P 3.6116 0.0000 0.0000 65.3117 31.0029 178.3055 113 A 3.9334 7.7982 118.9543 55.2056 18.2551 179.4406 114 K 3.8624 8.1399 117.9301 59.4498 32.0735 178.6994 115 M 4.2804 8.2039 118.7947 58.6954 32.1070 178.1132 116 F 4.7333 8.1675 117.8892 60.3109 39.3078 178.0227 117 Q 4.0744 8.0925 117.6941 58.8591 28.2460 178.6244 118 A 4.0595 8.0667 121.1578 55.0237 18.3214 179.6808 119 V 3.7105 7.8198 116.5187 66.1104 31.5865 178.0896 120 A 3.9873 8.0928 120.8203 55.0837 18.0822 179.3960 121 S 4.0227 7.8573 111.0500 60.6747 63.0812 175.5558 122 T 4.6564 7.5899 111.0565 61.2017 69.3391 174.5119 123 G 3.7759 9.1502 110.6992 45.6435 0.0000 173.1027 124 A 3.1537 7.3113 122.3215 49.7091 19.1364 177.2900 125 N 4.3399 8.1498 122.4358 53.3546 39.1308 174.6836 126 I 3.8508 8.1775 127.4260 61.6920 37.4347 175.8335 127 E 4.6249 8.5392 124.4012 55.8638 31.3830 175.6133 128 M 4.4316 7.3334 116.5265 54.8142 35.6357 173.2825 129 I 5.2352 8.4770 124.9378 59.5437 41.2342 174.3561 130 A 5.0160 9.1320 128.1729 50.3025 22.2615 175.0750 131 T 5.0277 8.4274 110.6821 60.4433 71.6709 173.4968 132 S 4.4897 8.2997 119.6687 57.7114 65.5068 172.9834 133 E 4.1921 8.7487 117.3751 58.9990 30.2121 179.1291 134 V 3.6229 7.8448 119.2099 65.2430 31.9099 175.5270 135 R 5.1467 7.3508 113.7315 55.1076 32.7542 173.5782 136 I 4.9096 8.6160 113.6520 59.4753 40.3226 174.2568 137 S 5.1801 9.0144 123.1783 56.5774 66.1226 173.6875 138 V 4.9445 8.7354 116.4398 59.6831 35.4281 174.5123 139 I 4.9832 8.4318 125.0151 60.0093 38.6606 174.9959 140 I 4.9933 8.8360 119.7368 58.3185 41.8855 173.0707 141 P 4.4974 0.0000 0.0000 62.0119 32.1730 177.5695 142 A 4.0499 8.4268 123.6874 55.5330 18.0129 180.2101 143 E 3.9238 8.2629 114.2609 59.2401 29.7169 177.8531 144 Y 4.4176 7.9391 115.6055 57.7398 38.2492 176.9097 145 A 4.0202 8.2229 124.1936 55.3114 18.4906 179.4831 146 E 3.8455 8.1455 116.6858 59.4901 29.9232 178.6199 147 A 4.0208 8.0537 120.0840 55.0561 18.4051 179.3274 148 A 3.9809 8.7482 119.5426 55.2892 18.4078 179.5298 149 L 3.9917 8.2286 121.3944 58.9352 42.0701 180.0759 150 R 3.9787 8.2453 120.2512 61.5392 29.3067 180.5934 151 A 4.2260 8.1257 122.0474 54.9537 18.1669 179.9431 152 V 3.7390 8.1058 116.1853 66.0615 31.7089 177.5542 153 H 4.5579 8.0406 118.2220 59.2824 29.6398 176.9297 154 Q 3.9459 8.0967 118.4135 59.2715 28.6376 178.9413 155 A 4.0448 7.8364 120.5200 54.0572 18.4814 178.5873 156 F 4.6026 7.5130 113.5340 57.4482 40.5530 175.3703 157 E 4.5473 8.0214 123.5845 56.9187 29.5617 175.2969 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 5 K 8.31 4.28 0.00 1.80 2.03 0.00 1.89 0.00 0.00 1.79 0.00 0.00 3.18 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.67 7.81 6 A 8.38 4.08 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 7 V 7.60 4.41 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 0.60 0.00 0.00 0.78 0.00 0.00 8 T 8.53 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 1.26 0.00 0.00 9 G 7.72 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 10 V 8.21 4.98 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 0.88 0.00 0.00 11 A 9.54 4.84 1.17 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 0.00 0.00 12 L 8.49 5.14 0.00 1.60 1.51 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 13 D 9.04 4.98 0.00 2.76 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 14 L 8.52 5.02 0.00 1.49 1.59 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 15 D 9.58 4.96 0.00 2.64 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 16 H 8.35 5.51 0.00 3.03 3.15 0.00 5.69 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 9.07 4.72 1.16 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 0.00 0.00 18 Q 8.74 4.62 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 19 I 8.29 4.47 0.83 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 1.02 0.22 0.50 0.00 0.00 20 G 9.11 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 0.00 0.00 0.00 0.00 21 L 9.37 5.36 0.00 1.63 1.65 1.12 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.61 4.52 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 1.16 1.27 0.90 0.00 0.00 23 G 8.96 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 24 I 7.40 4.37 1.90 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 1.52 0.89 1.00 0.00 0.00 25 P 0.00 4.19 0.00 2.07 2.06 0.00 3.68 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 2.05 2.10 0.00 26 D 8.36 4.72 0.00 2.64 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 27 Q 7.32 4.74 0.00 2.16 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.41 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 28 P 0.00 4.38 0.00 2.03 2.01 0.00 3.68 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 2.03 2.11 0.00 29 G 8.89 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 0.00 0.00 0.00 30 I 7.43 3.72 1.90 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 1.64 1.13 0.95 0.00 0.00 31 A 8.18 4.12 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 32 A 7.98 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 33 K 8.16 3.94 0.00 1.97 1.89 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.66 7.81 34 V 7.85 3.53 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.96 0.00 0.00 35 F 8.27 3.89 0.00 3.21 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 36 Q 8.54 3.97 0.00 2.25 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 37 A 8.06 4.00 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 38 L 7.83 4.02 0.00 1.78 1.65 0.23 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.27 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 40 E 7.80 4.07 0.00 1.94 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 0.00 2.34 2.54 0.00 41 R 7.72 4.54 0.00 1.71 2.15 0.00 3.23 0.00 0.00 3.24 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 42 G 7.81 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 43 I 7.36 4.05 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 1.22 0.50 1.05 0.00 0.00 44 A 8.44 4.48 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.96 4.38 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 0.50 0.00 0.00 1.03 0.00 0.00 46 D 9.12 4.63 0.00 2.79 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 47 M 8.61 4.94 0.00 2.04 1.94 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 2.53 2.47 0.00 48 I 8.13 5.20 2.08 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.95 1.07 0.00 0.00 49 I 9.02 4.94 1.90 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 1.32 1.45 0.93 0.00 0.00 50 Q 7.73 5.40 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.06 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 51 G 8.70 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 0.00 0.00 0.00 52 V 8.34 3.96 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 0.74 0.00 0.00 0.93 0.00 0.00 53 P 0.00 4.68 0.00 2.08 1.90 0.00 3.80 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 1.94 1.58 0.00 54 G 7.83 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 0.00 0.00 0.00 0.00 *57 P 0.00 4.08 0.00 2.13 1.89 0.00 3.86 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.59 0.00 58 S 8.97 4.36 0.00 3.80 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 59 R 7.65 4.95 0.00 1.79 1.81 0.00 3.15 0.00 0.00 3.32 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.74 0.00 60 Q 9.90 4.88 0.00 1.99 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.53 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 61 Q 8.59 5.16 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 62 M 9.58 5.35 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.69 0.00 63 A 9.03 5.28 1.16 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 0.00 0.00 64 F 8.64 5.29 0.00 3.13 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 65 T 8.80 5.19 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 1.21 0.00 0.00 66 V 8.79 4.91 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 0.97 0.00 0.00 1.13 0.00 0.00 67 K 8.71 4.26 0.00 1.88 1.39 0.00 1.56 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.18 1.28 7.81 68 K 8.55 3.82 0.00 1.89 1.79 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.43 1.44 7.81 69 D 7.71 4.26 0.00 1.82 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 0.00 0.00 0.00 70 F 7.59 5.10 0.00 3.06 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 71 A 7.49 4.02 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 72 Q 8.03 3.92 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 73 E 8.31 4.00 0.00 2.16 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 2.39 2.40 0.00 74 A 8.06 4.05 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 75 L 7.54 4.08 0.00 1.81 1.75 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.16 4.10 0.00 2.23 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 2.34 2.34 0.00 77 A 8.10 4.02 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 78 L 7.69 4.30 0.00 2.00 1.76 0.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 79 E 7.90 3.92 0.00 2.19 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 2.31 2.32 0.00 80 P 0.00 4.29 0.00 2.30 2.31 0.00 3.88 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.03 0.00 81 V 7.71 3.69 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 1.01 0.00 0.00 0.95 0.00 0.00 82 L 8.51 3.95 0.00 2.02 1.80 1.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.94 3.96 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 84 E 7.72 4.10 0.00 2.18 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 2.55 2.47 0.00 85 I 8.12 4.12 1.89 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 1.68 0.66 0.93 0.00 0.00 86 G 7.98 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 G 8.54 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.99 4.71 0.00 1.96 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 0.00 2.17 2.22 0.00 89 A 8.66 4.99 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 90 I 9.04 4.41 1.82 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 1.09 0.97 0.87 0.00 0.00 91 L 8.50 4.77 0.00 1.61 1.51 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.82 4.49 0.00 1.70 1.77 0.00 3.35 0.00 0.00 3.19 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 93 P 0.00 4.30 0.00 2.14 2.15 0.00 3.48 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.07 0.00 94 D 7.87 4.89 0.00 2.70 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 95 I 7.55 4.79 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 1.29 0.75 0.90 0.00 0.00 96 A 9.79 4.84 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 97 K 8.94 4.71 0.00 1.77 1.69 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.42 7.81 98 V 8.40 4.89 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 1.02 0.00 0.00 0.96 0.00 0.00 99 S 9.06 5.26 0.00 3.86 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.16 4.82 1.52 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.78 0.54 0.00 0.00 101 V 9.17 4.71 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 0.78 0.00 0.00 0.95 0.00 0.00 102 G 7.15 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 0.00 103 V 7.90 4.15 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 0.77 0.00 0.00 0.93 0.00 0.00 104 G 8.23 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 0.00 105 L 7.84 4.42 0.00 1.61 1.69 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.94 4.10 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 0.00 107 S 7.45 4.04 0.00 3.88 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 0.00 108 T 7.84 3.79 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 1.22 0.00 0.00 109 P 0.00 4.19 0.00 2.17 2.16 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 110 E 7.92 4.41 0.00 2.14 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 2.27 2.25 0.00 111 V 7.31 3.71 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 1.05 0.00 0.00 1.01 0.00 0.00 112 P 0.00 3.61 0.00 2.00 1.76 0.00 3.85 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 2.08 2.08 0.00 113 A 7.80 3.93 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 0.00 114 K 8.14 3.86 0.00 1.73 1.30 0.00 0.86 0.00 0.00 1.23 0.00 0.00 2.65 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.16 1.24 7.81 115 M 8.20 4.28 0.00 1.80 2.11 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.68 0.00 116 F 8.17 4.73 0.00 3.11 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 8.09 4.07 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 118 A 8.07 4.06 1.56 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 0.00 0.00 119 V 7.82 3.71 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.13 0.00 0.00 120 A 8.09 3.99 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 0.00 121 S 7.86 4.02 0.00 4.07 4.10 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 0.00 122 T 7.59 4.66 4.40 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 1.33 0.00 0.00 123 G 9.15 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 0.00 124 A 7.31 3.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 N 8.15 4.34 0.00 2.57 2.66 0.00 0.00 7.27 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 0.00 126 I 8.18 3.85 1.70 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.56 0.68 0.00 0.00 127 E 8.54 4.62 0.00 1.77 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 2.17 2.36 0.00 128 M 7.33 4.43 0.00 2.02 1.81 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 2.48 2.49 0.00 129 I 8.48 5.24 1.82 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.59 1.03 0.00 0.00 130 A 9.13 5.02 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 0.00 131 T 8.43 5.03 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 1.31 0.00 0.00 132 S 8.30 4.49 0.00 3.90 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 E 8.75 4.19 0.00 2.02 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 2.38 2.23 0.00 134 V 7.84 3.62 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 0.97 0.00 0.00 0.93 0.00 0.00 135 R 7.35 5.15 0.00 2.05 1.94 0.00 2.96 0.00 0.00 3.38 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 136 I 8.62 4.91 1.92 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.78 0.91 0.00 0.00 137 S 9.01 5.18 0.00 3.80 3.77 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 0.00 138 V 8.74 4.94 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 1.09 0.00 0.00 1.08 0.00 0.00 139 I 8.43 4.98 1.85 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 1.27 1.03 0.90 0.00 0.00 140 I 8.84 4.99 1.80 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 1.30 1.26 0.88 0.00 0.00 141 P 0.00 4.50 0.00 2.42 2.08 0.00 3.64 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 142 A 8.43 4.05 1.32 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 0.00 0.00 143 E 8.26 3.92 0.00 1.88 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 2.25 2.19 0.00 144 Y 7.94 4.42 0.00 3.17 3.02 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 0.00 145 A 8.22 4.02 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 0.00 146 E 8.15 3.85 0.00 2.05 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 2.39 2.39 0.00 147 A 8.05 4.02 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 0.00 148 A 8.75 3.98 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 0.00 149 L 8.23 3.99 0.00 1.89 1.95 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 150 R 8.25 3.98 0.00 1.86 1.92 0.00 3.32 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 151 A 8.13 4.23 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 V 8.11 3.74 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.06 0.00 0.00 153 H 8.04 4.56 0.00 3.36 3.56 0.00 5.86 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 0.00 154 Q 8.10 3.95 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 155 A 7.84 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 0.00 156 F 7.51 4.60 0.00 2.97 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 0.00 157 E 8.02 4.55 0.00 1.96 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 * Residues marked with a * may have inaccurate shift predictions.