NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4442 8.3193 115.4125 57.8235 65.5538 174.4421 -1 N 4.4417 7.9310 121.8921 49.7848 36.5505 172.9117 0 A 4.6178 8.2721 127.0872 50.8472 23.2789 177.2359 0 K 4.6178 8.3221 123.6872 54.5472 37.2789 176.0359 3 K 4.2138 8.2514 119.1361 55.1121 32.8875 177.2052 4 A 4.3794 8.4892 127.5505 51.9193 18.9473 177.2669 5 T 4.5062 7.7147 111.5123 61.7611 68.2211 176.6523 *7 L 4.0460 8.4076 122.4174 54.6097 44.2082 177.4107 8 T 3.8056 8.0652 108.6570 65.2689 68.4840 175.5136 9 Y 3.9850 8.0551 122.2616 60.2083 38.7310 178.1538 10 L 3.9412 7.9576 119.1944 58.4373 41.6273 178.5177 11 E 3.7809 8.3239 116.0767 60.1564 29.6586 179.0526 12 E 4.0400 8.8104 118.0913 59.9844 29.6973 179.7633 13 Q 3.9475 8.0779 119.0738 58.5576 28.7234 177.5191 14 L 4.2790 8.2465 119.4548 55.8679 41.7251 177.4043 15 E 4.3041 7.9407 117.5858 56.1923 30.7556 176.5897 16 K 4.4115 7.8506 115.6667 57.0755 33.0333 176.1844 17 H 4.8478 7.9832 113.4024 55.2997 31.5133 173.8897 18 L 4.8839 7.5108 118.4002 53.5633 42.4489 176.2992 19 G 3.9576 7.8782 104.9788 46.0439 0.0000 172.9873 20 D 4.3827 8.0071 118.9356 55.5748 41.3207 175.7052 21 Y 4.8272 7.6609 115.5066 56.1755 40.7222 174.7821 22 E 4.5402 8.6017 119.5739 56.6187 29.0701 177.9367 23 V 4.1791 7.9860 113.4355 61.3783 32.3498 177.3747 24 G 4.3523 9.9156 113.8972 44.2741 0.0000 171.1520 25 L 5.3204 8.4278 118.7293 52.7593 45.0803 175.8083 26 D 4.9288 9.3256 123.1827 52.2347 44.0544 174.2444 27 W 5.1532 9.0429 135.0000 55.8312 31.6012 175.2791 28 D 4.6524 8.5866 132.1249 52.3070 38.3070 177.0450 29 R 3.6388 6.9092 118.6839 58.2206 29.9681 179.9418 30 K 3.8526 7.3929 119.3271 58.6877 32.1960 176.8348 31 N 4.8838 8.2574 115.6041 53.9158 39.1465 173.9725 32 H 4.6234 7.3941 110.1529 55.7931 27.2631 174.3525 33 T 5.2809 7.8511 112.1002 60.5028 71.6870 172.8086 34 I 4.9730 9.0784 126.6176 59.7890 40.6795 173.9466 35 E 4.8594 9.4418 129.4792 55.1494 31.0616 175.6738 36 V 4.7549 8.9522 128.2580 60.1285 30.7603 173.2586 37 I 4.1102 8.0041 124.2265 61.4295 38.5896 174.8675 38 V 4.8150 9.0264 126.4207 61.0947 34.9450 174.1687 39 R 5.1335 8.4924 124.8077 54.2832 32.9199 174.6859 40 L 4.9612 9.0275 126.0527 53.4637 44.8092 174.5844 41 Y 4.7761 8.7511 123.6428 55.9128 40.0678 174.9891 *64 E 3.8960 8.5202 121.8895 55.9263 30.8997 174.5368 65 F 4.6802 8.3202 124.3688 56.8299 41.2979 173.9704 66 E 4.9587 7.7560 125.9190 54.5082 32.2640 173.7571 67 D 4.7147 8.9589 125.3595 52.4937 45.7610 173.9937 68 G 4.6523 8.5494 108.3386 44.3994 0.0000 171.8671 69 L 5.1033 8.3436 119.2012 52.4651 45.3804 175.3987 70 L 4.9503 8.1109 124.8044 53.1135 45.1624 174.8108 71 F 5.4792 9.0708 124.1982 55.9533 41.4547 174.1471 72 Y 5.2318 9.1274 121.7135 55.1589 42.1070 174.0428 73 N 4.3531 8.5803 119.6097 51.1317 39.7734 173.8786 74 P 4.2665 0.0000 0.0000 64.5841 31.6010 177.1206 75 Q 4.3259 8.2374 118.6793 56.4452 29.4090 176.0067 76 K 4.5284 7.4575 112.2707 57.0742 34.9514 176.8365 77 S 4.4095 8.7238 116.5174 57.9454 63.5009 173.4319 78 V 4.3087 8.1954 123.8083 61.2503 32.8243 175.4064 79 V 4.3242 7.8961 124.6903 61.5732 34.3927 173.3492 80 D 4.7394 8.4875 125.4806 52.1447 41.2922 175.8033 81 D 4.3648 8.6401 127.6814 57.4237 41.1073 179.4965 82 E 3.9453 7.9854 119.0216 58.9166 29.6752 177.4785 83 E 3.9057 8.2447 116.9436 57.7114 29.4992 175.9152 84 Y 4.7797 7.2410 115.7227 55.5747 41.9232 175.4331 85 L 4.0765 8.3760 123.3456 57.6488 42.6091 177.4844 86 V 4.3725 7.2091 116.6127 60.9577 35.1930 173.9797 87 T 4.8432 8.2902 115.3631 59.9143 71.3733 173.3811 88 I 4.6785 8.6479 124.8384 58.9798 41.0759 172.5582 89 P 4.1466 0.0000 0.0000 61.9901 32.2119 175.0527 90 Y 4.7746 7.9773 121.5081 54.5724 40.8370 176.0266 91 E 4.3210 9.1078 121.3948 57.2234 29.9395 178.5245 92 G 3.9429 7.2701 116.3187 46.0464 0.0000 173.6857 93 K 4.0174 9.2435 124.0129 59.3633 32.1882 178.7540 94 K 3.9093 7.8717 118.2276 57.7291 33.2243 177.7316 95 G 4.2059 8.3620 106.6098 45.9011 0.0000 173.6580 96 L 5.1087 8.9355 126.1647 52.5384 45.4599 175.3385 97 R 3.5684 7.5297 120.3499 54.9814 30.8874 177.6156 98 K 3.4118 8.8457 124.5783 59.5601 32.1246 178.3244 99 A 4.1180 7.7649 117.6676 53.5701 18.6001 177.8709 100 V 4.2490 7.8885 115.5872 64.3320 33.1895 177.4413 101 L 4.2164 7.8925 118.0413 58.1351 41.3729 178.9711 102 D 4.6516 8.9173 119.5838 57.2937 40.9249 178.7313 103 G 4.0343 8.4147 105.8587 48.3488 0.0000 174.5623 104 F 4.6769 8.8853 123.3774 61.1050 39.1282 177.2043 105 I 3.5731 8.6850 112.9435 64.2194 37.1556 177.9689 106 H 4.2200 8.4730 118.0597 58.9709 28.9850 177.0437 107 Y 3.9623 8.0687 120.8759 59.9936 38.3466 177.9711 108 L 3.7692 8.0269 121.9951 57.9564 42.2733 178.2657 109 K 3.6319 7.4562 118.8990 59.6951 32.0221 178.2670 110 V 3.3715 7.4221 118.1642 66.4004 31.3956 178.2575 111 V 3.4729 7.0794 116.9006 65.3132 31.2164 178.1161 112 L 3.9005 8.0156 119.2760 57.6768 41.4721 178.8220 113 D 4.4509 8.4127 119.1077 57.6066 40.5582 178.7265 114 E 4.0973 8.2823 119.5438 58.8269 29.5567 179.0852 115 G 3.6981 7.8576 105.8657 47.6968 0.0000 175.9098 116 Q 4.0365 8.6021 121.1462 58.7735 28.6599 178.8572 117 S 4.2708 7.7810 113.3326 60.6276 62.7655 175.0501 118 D 4.8290 7.5990 121.4721 54.9709 41.7763 178.1803 119 L 2.6506 7.7597 121.3773 57.5521 41.8729 178.9165 120 L 4.0126 7.9129 119.1085 57.6515 41.1285 178.6097 121 D 4.6763 7.6566 115.5508 55.4888 40.2990 177.2438 122 F 4.2350 7.6308 121.4849 58.6161 40.3630 176.1552 123 L 4.3284 7.9834 117.3511 55.4134 42.2688 177.3380 124 S 4.4749 7.8613 111.3566 59.4449 64.8869 174.2245 125 D 4.5086 7.4243 122.0474 53.4175 38.6768 176.3629 126 E 3.9814 8.4248 125.3362 58.4200 29.9120 178.0338 127 T 4.0205 7.7344 106.9611 63.3496 69.3950 174.6471 128 A 4.3449 7.8885 126.0010 52.0372 19.2473 176.0293 129 E 4.5371 8.8127 118.8945 57.3486 31.4666 176.5922 130 V 4.7629 7.6956 116.4105 60.9034 34.7934 174.0728 131 F 4.7232 8.2709 127.3647 56.1045 40.8600 174.3399 132 E 4.0965 7.3890 124.0034 54.5173 32.5754 174.1330 133 L 4.0885 7.7788 119.0123 53.6926 42.9743 176.3540 134 H 4.6637 8.5456 119.4468 54.0365 29.6128 174.1641 135 W 4.6087 8.6993 135.0000 55.6116 30.6490 175.1773 136 E 4.4397 9.0562 127.1897 54.4832 29.8654 175.2925 137 P 4.4428 0.0000 0.0000 66.1960 31.3481 177.7861 138 A 4.3237 7.7296 121.9256 54.4857 18.0255 179.3795 139 D 4.3290 7.9603 115.2971 57.2570 40.9925 178.6269 140 F 3.5124 7.2306 120.5677 60.8677 39.0646 176.6305 141 E 3.6580 8.6599 119.0326 59.0609 29.2133 180.4119 142 A 3.8440 7.7950 120.2779 52.1906 18.5274 179.4082 *144 I 3.9926 7.8199 123.9118 62.8666 39.3924 178.4953 145 K 3.8487 7.9410 119.7529 59.5509 32.1237 178.4366 146 K 3.9261 7.9627 117.7810 59.6239 32.2962 178.4768 147 V 3.9956 7.6330 116.6458 64.8027 31.7528 177.2395 148 A 4.2384 7.7778 116.1074 52.7579 17.8743 177.0774 149 E 4.4767 7.9150 118.0353 56.7390 29.9247 176.1732 150 T 4.5192 7.8204 111.5130 62.2715 69.6227 173.3222 151 E 4.7239 7.6972 116.4162 54.0470 32.6371 174.8021 152 K 4.2886 8.3293 119.6594 55.3811 33.1040 176.7056 153 E 3.9605 8.6647 119.1548 57.6310 29.8008 177.0228 154 Q 4.7052 8.3328 121.1211 53.8798 33.4004 174.0296 155 W 4.9627 8.8488 122.3851 54.9681 32.0348 175.0284 156 I 4.1611 8.6120 127.3626 60.0709 37.3284 176.0552 157 A 4.9404 8.5407 128.8747 51.4422 20.3809 174.8622 158 Y 4.4827 8.3054 120.6122 55.9006 40.6593 174.2400 159 P 4.0574 0.0000 0.0000 62.0143 30.8903 175.5899 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 -2 S 8.32 4.44 0.00 3.99 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 -1 N 7.93 4.44 0.00 2.93 2.89 0.00 0.00 5.71 6.38 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 A 8.27 4.62 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 0 K 8.32 4.62 0.00 1.56 1.51 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.32 7.81 3 K 8.25 4.21 0.00 1.68 1.69 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.39 7.81 4 A 8.49 4.38 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.71 4.51 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 1.08 0.00 0.00 *7 L 8.41 4.05 0.00 1.29 1.35 0.75 -0.15 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 8 T 8.07 3.81 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 9 Y 8.06 3.99 0.00 3.04 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 10 L 7.96 3.94 0.00 1.84 1.71 0.58 1.01 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 11 E 8.32 3.78 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 2.33 2.51 0.00 12 E 8.81 4.04 0.00 1.90 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 0.00 2.29 2.52 0.00 13 Q 8.08 3.95 0.00 1.68 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 14 L 8.25 4.28 0.00 1.97 1.74 1.03 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 15 E 7.94 4.30 0.00 1.94 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 2.23 2.35 0.00 16 K 7.85 4.41 0.00 1.77 1.77 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.67 7.81 17 H 7.98 4.85 0.00 3.23 3.26 0.00 5.82 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.51 4.88 0.00 1.64 1.73 1.00 0.79 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 19 G 7.88 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 20 D 8.01 4.38 0.00 1.95 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 21 Y 7.66 4.83 0.00 2.98 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 22 E 8.60 4.54 0.00 2.33 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 2.48 2.51 0.00 23 V 7.99 4.18 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 0.73 0.00 0.00 1.11 0.00 0.00 24 G 9.92 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 0.00 0.00 0.00 0.00 25 L 8.43 5.32 0.00 1.54 1.61 0.93 1.07 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 26 D 9.33 4.93 0.00 2.79 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 27 W 9.04 5.15 0.00 3.24 3.15 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 28 D 8.59 4.65 0.00 2.83 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 29 R 6.91 3.64 0.00 1.32 0.66 0.00 2.81 0.00 0.00 3.00 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.00 0.00 30 K 7.39 3.85 0.00 1.73 1.95 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.34 7.81 31 N 8.26 4.88 0.00 2.72 2.80 0.00 0.00 7.51 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 32 H 7.39 4.62 0.00 3.21 3.38 0.00 5.80 0.00 0.00 0.00 0.00 8.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.85 5.28 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 34 I 9.08 4.97 2.02 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.04 0.97 0.00 0.00 35 E 9.44 4.86 0.00 2.16 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 2.46 2.41 0.00 36 V 8.95 4.75 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 1.35 0.00 0.00 1.22 0.00 0.00 37 I 8.00 4.11 1.94 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 1.32 1.02 0.95 0.00 0.00 38 V 9.03 4.81 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 1.02 0.00 0.00 1.03 0.00 0.00 39 R 8.49 5.13 0.00 1.92 1.71 0.00 3.56 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 40 L 9.03 4.96 0.00 1.91 1.62 1.19 0.98 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 41 Y 8.75 4.78 0.00 2.98 2.89 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 *64 E 8.52 3.90 0.00 1.16 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 2.26 2.33 0.00 65 F 8.32 4.68 0.00 3.13 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 66 E 7.76 4.96 0.00 1.81 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 2.05 2.34 0.00 67 D 8.96 4.71 0.00 2.64 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 68 G 8.55 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 69 L 8.34 5.10 0.00 1.70 1.35 1.04 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.11 4.95 0.00 0.55 0.91 0.85 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 71 F 9.07 5.48 0.00 3.14 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 9.13 5.23 0.00 2.97 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 73 N 8.58 4.35 0.00 1.77 2.42 0.00 0.00 7.53 8.52 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 74 P 0.00 4.27 0.00 2.05 2.21 0.00 3.43 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.69 0.00 75 Q 8.24 4.33 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 76 K 7.46 4.53 0.00 1.67 1.71 0.00 1.44 0.00 0.00 1.13 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.15 1.24 7.81 77 S 8.72 4.41 0.00 4.02 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 78 V 8.20 4.31 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 0.73 0.00 0.00 0.93 0.00 0.00 79 V 7.90 4.32 1.70 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 0.60 0.00 0.00 0.66 0.00 0.00 80 D 8.49 4.74 0.00 2.70 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.64 4.36 0.00 2.74 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 82 E 7.99 3.95 0.00 1.93 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 2.28 2.25 0.00 83 E 8.24 3.91 0.00 1.17 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 2.15 2.29 0.00 84 Y 7.24 4.78 0.00 2.81 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 85 L 8.38 4.08 0.00 1.84 1.61 1.01 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.21 4.37 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 -0.98 0.00 0.00 87 T 8.29 4.84 4.19 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 1.07 0.00 0.00 88 I 8.65 4.68 1.28 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.42 1.00 0.00 0.00 89 P 0.00 4.15 0.00 1.72 1.29 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 1.87 1.87 0.00 90 Y 7.98 4.77 0.00 3.00 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 91 E 9.11 4.32 0.00 2.24 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 92 G 7.27 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 93 K 9.24 4.02 0.00 1.86 1.95 0.00 1.69 0.00 0.00 1.85 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.62 1.54 7.81 94 K 7.87 3.91 0.00 1.90 1.72 0.00 1.35 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.27 7.81 95 G 8.36 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.94 5.11 0.00 1.68 1.36 1.11 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 97 R 7.53 3.57 0.00 1.43 1.29 0.00 3.07 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 98 K 8.85 3.41 0.00 1.44 1.69 0.00 1.51 0.00 0.00 1.59 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.20 7.81 99 A 7.76 4.12 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 0.00 100 V 7.89 4.25 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 1.19 0.00 0.00 0.79 0.00 0.00 101 L 7.89 4.22 0.00 1.85 1.99 0.65 0.88 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 0.00 102 D 8.92 4.65 0.00 2.88 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 0.00 103 G 8.41 4.03 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 0.00 0.00 0.00 104 F 8.89 4.68 0.00 3.64 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.68 3.57 1.88 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.91 1.26 0.00 0.00 106 H 8.47 4.22 0.00 3.45 3.41 0.00 5.82 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 0.00 107 Y 8.07 3.96 0.00 3.21 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.03 3.77 0.00 1.52 1.52 0.82 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 109 K 7.46 3.63 0.00 1.84 1.90 0.00 1.76 0.00 0.00 1.64 0.00 0.00 3.21 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.69 1.53 7.81 110 V 7.42 3.37 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 0.55 0.00 0.00 0.86 0.00 0.00 111 V 7.08 3.47 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 1.08 0.00 0.00 0.43 0.00 0.00 112 L 8.02 3.90 0.00 1.52 1.17 0.64 0.69 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 0.00 113 D 8.41 4.45 0.00 2.69 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.28 4.10 0.00 2.21 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 2.27 2.41 0.00 115 G 7.86 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 0.00 0.00 0.00 116 Q 8.60 4.04 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.56 2.71 0.00 117 S 7.78 4.27 0.00 3.98 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 D 7.60 4.83 0.00 2.80 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 0.00 119 L 7.76 2.65 0.00 1.25 1.63 0.79 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.91 4.01 0.00 1.70 1.68 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 121 D 7.66 4.68 0.00 2.74 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 0.00 122 F 7.63 4.24 0.00 2.81 3.05 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 0.00 0.00 0.00 123 L 7.98 4.33 0.00 1.65 1.70 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 124 S 7.86 4.47 0.00 3.91 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 0.00 125 D 7.42 4.51 0.00 2.86 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.42 3.98 0.00 1.87 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 2.23 2.25 0.00 127 T 7.73 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 1.20 0.00 0.00 128 A 7.89 4.34 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 0.00 129 E 8.81 4.54 0.00 2.04 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 2.25 2.30 0.00 130 V 7.70 4.76 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 0.82 0.00 0.00 1.03 0.00 0.00 131 F 8.27 4.72 0.00 1.74 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 0.00 0.00 0.00 132 E 7.39 4.10 0.00 1.85 1.65 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 1.93 1.89 0.00 133 L 7.78 4.09 0.00 1.61 1.61 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 134 H 8.55 4.66 0.00 3.11 3.25 0.00 5.66 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 W 8.70 4.61 0.00 3.46 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 0.00 136 E 9.06 4.44 0.00 2.11 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 2.37 2.49 0.00 137 P 0.00 4.44 0.00 2.37 2.53 0.00 3.84 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 138 A 7.73 4.32 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 D 7.96 4.33 0.00 2.82 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 0.00 140 F 7.23 3.51 0.00 1.51 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 0.00 141 E 8.66 3.66 0.00 2.08 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 2.24 2.19 0.00 142 A 7.80 3.84 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 *144 I 7.82 3.99 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.63 0.85 0.00 0.00 145 K 7.94 3.85 0.00 1.73 1.96 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.59 7.81 146 K 7.96 3.93 0.00 1.81 1.88 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.63 7.81 147 V 7.63 4.00 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 1.10 0.00 0.00 0.94 0.00 0.00 148 A 7.78 4.24 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 0.00 149 E 7.91 4.48 0.00 2.05 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 2.22 2.20 0.00 150 T 7.82 4.52 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 0.00 151 E 7.70 4.72 0.00 2.02 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 2.17 2.38 0.00 152 K 8.33 4.29 0.00 1.76 1.83 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.53 7.81 153 E 8.66 3.96 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 154 Q 8.33 4.71 0.00 1.83 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 155 W 8.85 4.96 0.00 3.07 3.12 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 0.00 0.00 0.00 0.00 156 I 8.61 4.16 1.65 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 0.83 0.48 0.70 0.00 0.00 157 A 8.54 4.94 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 0.00 158 Y 8.31 4.48 0.00 2.73 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 P 0.00 4.06 0.00 1.08 1.06 0.00 2.99 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.19 0.00 * Residues marked with a * may have inaccurate shift predictions.