NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.4153 8.4449 120.2278 56.4059 30.9226 175.2935 3 R 4.2881 9.0681 126.2717 58.0573 31.1059 175.5035 4 Y 4.3501 8.5077 118.5944 60.5291 39.7101 177.9685 5 R 3.7643 7.7935 118.4356 58.9995 30.3993 177.8778 6 R 4.0072 10.0976 117.3596 59.3336 30.3614 178.8791 7 G 4.5582 7.5651 105.1573 47.1438 0.0000 175.2112 *9 E 4.2125 8.0699 116.3225 55.1426 32.0349 181.2717 10 I 4.2097 7.1299 116.6960 63.6743 38.2967 177.6380 11 L 3.5763 7.5912 119.8250 57.7585 41.2201 178.9237 12 N 4.5186 7.7577 114.5428 54.8633 38.6932 176.0481 13 R 4.1680 7.3202 118.9708 56.5442 32.2443 175.2717 *15 N 4.4866 7.8679 119.0722 54.8242 40.0657 175.4794 16 R 4.0049 7.6979 124.6130 61.6053 30.0225 179.7566 17 K 4.1014 8.1313 117.9212 59.4223 32.0095 179.0982 18 S 4.3055 7.8555 113.7722 61.6569 63.3284 175.5035 19 Y 4.2651 7.8510 121.8686 60.1199 39.3918 176.2883 20 T 4.4108 7.4008 111.2233 60.4213 66.2910 173.9948 21 A 4.6113 6.9230 123.5016 51.6949 21.5149 178.3163 22 I 3.5491 7.1864 118.9993 64.7119 35.8196 178.3830 23 R 3.9001 7.9642 118.4817 59.6257 29.5705 178.3927 24 D 4.5835 7.6429 117.0087 56.5853 41.2307 177.8838 25 E 4.2259 8.1925 118.6105 58.2977 29.5245 177.6520 26 L 3.8089 7.0966 119.1887 56.9285 42.3975 176.3453 27 E 3.7024 7.8449 115.4318 56.5898 29.4978 174.4911 28 D 4.5466 8.6709 124.6834 54.1338 39.9789 175.0122 29 V 4.2026 8.3057 121.3711 62.4151 34.6820 176.3540 30 A 4.6477 7.1241 120.5281 49.6142 20.8960 175.3059 31 P 4.2248 0.0000 0.0000 65.7042 32.0157 178.3077 32 D 4.0875 8.0622 118.7939 56.6019 40.5710 179.1008 33 L 3.8547 7.2161 119.3449 58.1107 42.1259 178.8161 34 A 4.1428 7.7850 120.1468 54.5820 18.0635 179.7014 35 R 3.7523 7.6469 117.2913 59.6719 30.4061 178.3692 36 F 4.6079 7.5786 117.4162 60.5522 38.8174 177.9094 37 V 3.7425 7.9845 117.3085 66.1687 31.3812 178.0168 38 A 4.1018 8.0807 120.8501 54.6250 18.0906 178.4698 39 E 4.5627 8.4571 113.2021 56.7217 30.5353 175.7089 40 F 4.6593 8.2800 119.9192 60.0024 41.6488 176.6548 41 A 3.6879 8.3370 122.6661 54.7917 18.8497 178.4936 42 Y 4.2182 8.0333 112.5597 59.6352 39.2715 178.6515 43 G 3.8301 8.2616 107.0516 47.6466 0.0000 173.7239 44 D 4.7549 7.7100 117.2988 54.1125 42.5182 176.4109 45 V 4.0367 7.1186 116.3893 64.5299 33.2297 177.1080 46 Y 4.0387 8.0489 117.9680 60.6244 38.1189 178.4043 47 S 4.3530 7.7349 113.3279 61.1008 63.5745 175.8564 48 R 4.2412 7.3797 118.1349 55.4394 26.9367 176.6190 49 G 3.8256 7.6270 113.0485 45.3470 0.0000 171.0472 50 V 3.7356 7.8524 124.9085 64.7990 32.3560 176.2652 51 L 4.5307 7.5622 120.9015 53.5617 43.3335 177.2513 52 D 4.5635 8.2626 123.7728 54.9014 41.8027 177.1113 53 L 4.0743 8.3622 122.0227 58.8569 42.1355 179.5455 54 K 3.8820 8.2002 117.7250 59.8860 31.8697 178.9680 55 T 4.0295 7.6651 115.2006 65.9039 68.6814 177.1340 56 R 3.6647 7.7660 120.0432 59.3071 30.1184 178.8064 57 E 4.1194 8.2546 118.2862 59.5573 29.3592 179.2728 58 L 4.0203 7.7196 120.1984 58.1035 42.0572 179.0636 59 L 4.0210 7.7993 119.0500 57.7903 41.6006 179.3759 60 T 3.8877 7.9128 115.8142 66.4363 68.4459 176.5688 61 L 3.9757 8.0812 120.7265 57.6971 41.1663 179.3116 62 A 3.9611 7.7230 120.3287 55.1987 18.2713 179.4706 63 A 3.9550 7.9946 119.0513 55.4444 18.5498 179.7671 64 L 4.1281 8.4274 116.9305 57.3500 41.4448 179.6731 65 T 4.0128 7.6712 116.0759 66.1648 68.2319 177.1366 66 V 3.6370 7.2985 118.7222 65.9625 31.7919 177.8809 67 L 4.1012 7.6260 116.0652 55.1289 41.7470 177.0323 68 R 3.7593 7.4002 116.7342 57.1560 28.3293 178.1960 69 A 4.4385 7.6868 120.2996 50.8880 17.0884 176.8537 70 D 4.3880 8.3539 122.5724 57.3098 39.7580 177.6128 71 D 4.4616 8.1233 119.4392 56.5116 39.2199 178.6267 72 Q 4.3253 7.9160 118.5959 57.9373 29.5441 177.1371 73 L 3.9551 8.5606 122.0032 58.3397 41.7540 178.9148 74 K 3.8270 7.9991 118.1347 59.9468 32.2107 179.0896 75 S 4.1142 7.5983 112.3130 61.5809 62.2974 175.4023 76 H 4.5527 8.2874 117.5402 57.3195 28.6722 177.7666 77 V 3.6973 7.6653 120.8582 66.1281 31.3872 177.6538 78 R 4.0546 7.9473 117.7390 59.2350 29.7259 178.9304 79 G 4.1299 8.1349 104.9807 48.1221 0.0000 175.1423 80 A 4.2218 8.1885 122.5132 55.2364 18.6495 179.5934 81 L 4.2310 8.4327 119.1033 57.5216 41.5164 179.4777 82 N 4.5109 8.7523 114.9419 55.0245 38.4750 176.0672 83 A 4.6134 7.8562 121.1305 51.6536 19.5555 177.3886 84 G 4.0027 8.2279 107.4168 45.6431 0.0000 174.6919 85 C 4.2012 8.1290 118.0107 60.3705 28.7738 173.8250 86 S 4.4479 8.7575 119.5160 57.2992 65.0977 175.8664 87 K 3.9126 8.3436 123.7134 60.5109 31.6258 179.9165 88 D 4.4485 8.1151 119.2664 58.5629 39.7804 180.2035 89 E 4.3495 7.8686 118.1154 59.6931 29.2104 179.3817 90 I 3.8024 7.8237 119.8622 64.5654 36.9970 178.6297 91 I 3.9254 8.0829 119.5686 63.7544 37.1431 178.0835 92 E 4.1791 7.9024 119.6453 59.3472 29.1599 181.3881 93 V 3.6777 6.8800 111.0326 61.6422 31.4866 177.7894 *95 I 4.1030 7.9222 121.4714 61.5360 39.0803 178.5898 96 Q 4.1129 7.7768 123.1563 55.4881 27.4101 177.5566 *98 A 4.1774 7.9335 121.5452 52.0837 20.8988 179.8673 99 V 3.4612 7.8078 115.1895 65.9787 31.5718 176.8605 100 Y 4.2942 7.5875 114.6451 59.1653 38.1961 175.7208 101 A 4.5896 8.0662 118.8803 50.9420 20.4257 176.7651 102 G 4.1943 7.8800 100.9755 45.7573 0.0000 175.0318 103 F 3.9720 9.0545 118.8376 60.0092 38.8583 176.3278 104 P 4.3078 0.0000 0.0000 65.4216 30.7829 178.4242 105 A 4.0730 7.8941 119.2442 54.6215 18.3520 179.6333 106 A 3.9034 7.8304 118.8954 55.5589 18.5792 179.7000 107 I 3.6732 7.8727 118.3636 64.6143 37.3259 178.1468 108 N 4.4020 8.1996 116.8381 55.8582 38.7458 176.4840 109 A 4.2501 7.5555 121.7729 54.1568 19.0654 179.6636 110 V 3.4098 7.7518 116.8973 66.1168 31.7879 178.1367 111 L 3.8943 7.6490 118.1910 57.9181 41.3829 179.3764 112 A 3.9581 7.5737 119.1548 55.1404 18.1489 179.6228 113 A 3.7162 7.8064 119.2253 54.9839 18.1936 179.5947 114 K 3.6465 8.2044 117.4254 59.6018 32.3847 178.4840 115 E 4.1195 7.9893 118.7476 59.5465 29.2808 179.8560 116 V 4.1602 7.0437 117.2910 64.1059 31.5840 177.8310 117 F 4.7490 8.3093 117.4415 59.0712 39.4402 175.5705 118 T 4.7091 7.8720 115.7627 62.8461 68.9789 174.0771 119 E 4.2598 8.0738 125.8371 56.6201 29.7471 176.7475 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 E 8.44 4.42 0.00 2.09 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 2.27 2.42 0.00 3 R 9.07 4.29 0.00 2.03 1.98 0.00 3.29 0.00 0.00 3.40 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 4 Y 8.51 4.35 0.00 2.97 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 7.79 3.76 0.00 1.69 1.85 0.00 3.22 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.40 0.00 6 R 10.10 4.01 0.00 2.16 1.98 0.00 3.24 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 7 G 7.57 4.56 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 0.00 *9 E 8.07 4.21 0.00 2.03 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 2.13 1.91 0.00 10 I 7.13 4.21 1.99 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 1.58 1.03 1.00 0.00 0.00 11 L 7.59 3.58 0.00 1.18 1.16 -0.50 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 12 N 7.76 4.52 0.00 2.63 2.85 0.00 0.00 6.76 7.66 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 13 R 7.32 4.17 0.00 1.89 2.04 0.00 3.43 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 *15 N 7.87 4.49 0.00 2.81 2.69 0.00 0.00 7.33 7.65 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 16 R 7.70 4.00 0.00 1.86 1.92 0.00 3.33 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 17 K 8.13 4.10 0.00 1.73 1.94 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.56 7.81 18 S 7.86 4.31 0.00 3.94 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 19 Y 7.85 4.27 0.00 2.93 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 20 T 7.40 4.41 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 1.23 0.00 0.00 21 A 6.92 4.61 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 22 I 7.19 3.55 1.69 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.67 0.78 0.00 0.00 23 R 7.96 3.90 0.00 1.79 1.96 0.00 3.07 0.00 0.00 3.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 24 D 7.64 4.58 0.00 2.84 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 25 E 8.19 4.23 0.00 1.91 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 2.38 2.38 0.00 26 L 7.10 3.81 0.00 1.96 1.66 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.84 3.70 0.00 2.16 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 0.00 2.35 2.32 0.00 28 D 8.67 4.55 0.00 2.63 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 29 V 8.31 4.20 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 0.82 0.00 0.00 0.91 0.00 0.00 30 A 7.12 4.65 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 31 P 0.00 4.22 0.00 2.25 2.23 0.00 3.38 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 2.00 2.36 0.00 32 D 8.06 4.09 0.00 2.52 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.22 3.85 0.00 1.80 1.80 1.02 1.20 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 34 A 7.78 4.14 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 35 R 7.65 3.75 0.00 1.65 1.76 0.00 3.03 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.33 0.00 36 F 7.58 4.61 0.00 3.28 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 37 V 7.98 3.74 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 1.34 0.00 0.00 1.16 0.00 0.00 38 A 8.08 4.10 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 39 E 8.46 4.56 0.00 2.30 2.27 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 2.64 2.55 0.00 40 F 8.28 4.66 0.00 3.12 3.37 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 41 A 8.34 3.69 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 42 Y 8.03 4.22 0.00 3.14 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 43 G 8.26 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 0.00 0.00 0.00 44 D 7.71 4.75 0.00 2.65 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 45 V 7.12 4.04 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 0.91 0.00 0.00 0.36 0.00 0.00 46 Y 8.05 4.04 0.00 2.86 3.13 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 47 S 7.73 4.35 0.00 4.07 4.18 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 0.00 0.00 0.00 48 R 7.38 4.24 0.00 1.93 2.00 0.00 2.99 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 49 G 7.63 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 0.00 0.00 0.00 50 V 7.85 3.74 2.04 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 0.80 0.00 0.00 0.90 0.00 0.00 51 L 7.56 4.53 0.00 1.55 1.48 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.26 4.56 0.00 2.68 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 53 L 8.36 4.07 0.00 1.77 1.72 1.06 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.20 3.88 0.00 1.84 1.88 0.00 1.72 0.00 0.00 2.08 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.57 7.81 55 T 7.67 4.03 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 1.16 0.00 0.00 56 R 7.77 3.66 0.00 1.72 1.19 0.00 2.73 0.00 0.00 2.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.62 0.00 57 E 8.25 4.12 0.00 2.06 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 0.00 2.63 2.65 0.00 58 L 7.72 4.02 0.00 2.03 1.75 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.80 4.02 0.00 1.91 1.63 0.84 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.91 3.89 4.43 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 0.97 0.00 0.00 61 L 8.08 3.98 0.00 1.92 1.74 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.72 3.96 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.99 3.95 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 0.00 0.00 0.00 0.00 0.00 64 L 8.43 4.13 0.00 1.66 1.74 0.92 0.75 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 65 T 7.67 4.01 4.43 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 1.24 0.00 0.00 66 V 7.30 3.64 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 0.85 0.00 0.00 0.95 0.00 0.00 67 L 7.63 4.10 0.00 1.64 1.72 0.93 1.45 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 68 R 7.40 3.76 0.00 1.92 2.00 0.00 3.16 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 69 A 7.69 4.44 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 70 D 8.35 4.39 0.00 2.73 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 71 D 8.12 4.46 0.00 2.87 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 72 Q 7.92 4.33 0.00 2.37 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.87 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 73 L 8.56 3.96 0.00 1.84 1.68 0.92 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.00 3.83 0.00 1.86 1.88 0.00 1.72 0.00 0.00 1.57 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.60 1.59 7.81 75 S 7.60 4.11 0.00 3.97 3.99 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 76 H 8.29 4.55 0.00 3.31 3.51 0.00 5.67 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 77 V 7.67 3.70 2.25 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 0.96 0.00 0.00 0.97 0.00 0.00 78 R 7.95 4.05 0.00 2.08 1.97 0.00 3.24 0.00 0.00 3.19 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 79 G 8.13 4.13 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 0.00 80 A 8.19 4.22 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.43 4.23 0.00 1.84 1.76 1.01 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.75 4.51 0.00 2.79 2.91 0.00 0.00 6.91 7.32 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 83 A 7.86 4.61 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 G 8.23 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 85 C 8.13 4.20 0.00 3.15 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 86 S 8.76 4.45 0.00 4.04 3.97 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 87 K 8.34 3.91 0.00 1.59 1.62 0.00 1.28 0.00 0.00 0.90 0.00 0.00 2.16 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.30 0.95 7.81 88 D 8.12 4.45 0.00 2.77 2.61 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 89 E 7.87 4.35 0.00 2.31 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 2.34 2.36 0.00 90 I 7.82 3.80 2.30 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.09 1.00 0.00 0.00 91 I 8.08 3.93 1.97 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 1.61 0.35 0.94 0.00 0.00 92 E 7.90 4.18 0.00 2.17 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 2.57 2.52 0.00 93 V 6.88 3.68 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 0.67 0.00 0.00 0.94 0.00 0.00 *95 I 7.92 4.10 1.94 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 1.27 0.71 0.85 0.00 0.00 96 Q 7.78 4.11 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.38 0.00 0.00 0.00 0.00 0.00 2.65 2.49 0.00 *98 A 7.93 4.18 0.66 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 0.00 0.00 99 V 7.81 3.46 1.78 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 -0.06 0.00 0.00 0.78 0.00 0.00 100 Y 7.59 4.29 0.00 3.05 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.07 4.59 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 G 7.88 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 0.00 0.00 0.00 0.00 103 F 9.05 3.97 0.00 3.06 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 0.00 104 P 0.00 4.31 0.00 2.20 2.14 0.00 3.63 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 105 A 7.89 4.07 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 0.00 106 A 7.83 3.90 1.24 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 0.00 0.00 107 I 7.87 3.67 1.91 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.94 0.00 0.00 108 N 8.20 4.40 0.00 2.85 2.81 0.00 0.00 7.03 9.19 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 0.00 109 A 7.56 4.25 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 0.00 110 V 7.75 3.41 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 1.00 0.00 0.00 0.90 0.00 0.00 111 L 7.65 3.89 0.00 1.68 1.69 0.92 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.57 3.96 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 0.00 0.00 0.00 0.00 0.00 113 A 7.81 3.72 0.96 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 0.00 114 K 8.20 3.65 0.00 1.67 1.97 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.53 7.81 115 E 7.99 4.12 0.00 2.25 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 2.32 2.55 0.00 116 V 7.04 4.16 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 1.14 0.00 0.00 1.06 0.00 0.00 117 F 8.31 4.75 0.00 3.05 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 0.00 118 T 7.87 4.71 4.37 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 1.25 0.00 0.00 119 E 8.07 4.26 0.00 2.06 1.86 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 2.37 2.60 0.00 * Residues marked with a * may have inaccurate shift predictions.