NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.3363 8.3149 120.0029 55.9731 34.7302 175.2545 7 L 4.7509 7.7733 119.2518 51.3599 43.8850 173.8715 8 H 5.0388 9.1073 117.0219 53.5005 32.3855 172.2356 9 K 4.5827 8.5395 121.1874 56.2649 32.8749 176.1094 10 E 5.0416 9.2693 124.1817 53.5673 33.3551 173.8965 11 P 4.7943 0.0000 0.0000 63.4203 32.3479 174.9479 12 A 4.8906 8.0955 121.7279 51.6494 22.9003 175.5733 13 T 4.6931 8.3268 108.4276 59.3706 72.2765 173.3358 14 L 4.1870 8.5582 125.9190 56.0079 42.3018 176.0786 15 I 4.3434 8.8852 128.5599 62.4552 37.7705 176.0042 16 K 4.6124 7.6018 118.6735 55.4416 35.4768 174.5473 17 A 4.3354 8.7667 126.0788 52.7106 18.4620 175.4859 18 I 4.4585 7.7670 118.0847 61.7634 40.2019 177.5347 19 D 4.6958 7.7701 119.3329 51.8995 41.7304 175.8730 20 G 4.0232 9.0846 106.4439 48.8451 0.0000 173.6786 21 D 5.1266 8.1804 117.1741 52.6479 41.5418 175.4951 22 T 5.8265 8.6091 109.1191 59.4515 72.5157 173.1495 23 V 4.7189 8.2229 120.9841 60.5577 35.1608 172.4046 24 K 5.0604 9.0972 124.9092 55.2179 33.6966 175.1573 25 L 5.3156 9.1674 126.7590 53.1623 46.5604 175.0873 26 M 4.9195 9.2752 122.0183 54.6341 33.8461 174.1333 27 Y 5.1253 9.1216 127.8117 56.3582 42.1868 175.5633 28 K 3.6990 9.4961 125.8238 57.4187 29.8529 175.9582 29 G 3.9643 8.4489 104.3378 45.5471 0.0000 173.8286 30 Q 4.7095 7.8230 119.2689 52.7936 31.3171 173.0912 31 P 4.9554 0.0000 0.0000 63.3904 32.0965 175.5752 32 M 4.8906 9.2484 122.5262 54.0452 37.0877 174.0099 33 T 4.7424 8.4626 119.1273 62.9378 70.5056 173.4807 34 F 4.9822 9.5871 125.8366 55.8342 41.1102 174.6268 35 R 5.0321 9.1045 124.4001 54.4311 31.8975 175.2219 36 L 4.5686 8.8469 127.8195 54.5610 41.9038 177.2590 37 L 4.0061 8.4388 124.4268 55.8491 42.8583 178.2382 38 L 4.1994 8.9562 119.8659 55.4808 39.3139 174.0452 39 V 5.1556 7.3368 110.5059 59.6664 35.9817 174.8198 40 D 5.0060 9.1703 121.8512 53.1623 44.0652 174.4777 41 T 4.8609 8.7389 116.8023 59.8602 70.5070 173.2172 42 P 4.5088 0.0000 0.0000 62.5886 32.3839 176.1918 43 E 4.0195 9.2923 122.0683 56.7544 30.2106 177.7873 *50 F 4.7519 8.5920 123.3703 58.3435 41.0422 176.0930 51 N 4.3214 8.2603 115.9575 54.5323 37.6478 174.4035 52 E 4.3888 8.1324 119.7423 53.9937 31.5870 174.8225 53 K 3.9099 8.1580 121.2412 57.9604 32.5059 176.3792 54 Y 4.0290 7.7334 121.3486 58.8453 36.0434 171.5455 55 G 3.5308 7.9604 108.0369 47.4632 0.0000 174.3065 56 P 4.3917 0.0000 0.0000 65.2438 31.2163 178.6086 57 E 4.0348 8.1780 116.6918 59.2350 29.4607 179.0379 58 A 4.0559 8.4647 121.2380 55.3528 18.0716 179.7655 59 S 4.2227 8.5237 113.6887 61.9007 62.9343 176.9355 60 A 4.0843 8.4117 123.5031 54.9180 18.0981 179.5333 61 F 4.0222 8.4085 119.2234 61.8088 39.5718 177.5707 62 T 3.8827 8.1373 115.3622 66.4129 68.2042 176.2883 63 K 3.8113 8.1332 121.6017 59.6871 32.1795 178.6041 64 K 3.8622 8.1124 119.5622 59.5535 31.8814 178.3216 65 M 3.8356 7.5577 117.4256 58.7696 31.8976 178.2130 66 V 3.8529 7.8658 112.1687 63.8861 31.7004 178.4818 67 E 4.0115 8.2205 117.8394 59.2650 29.4181 177.9042 68 N 4.4771 8.0644 114.2483 54.4393 39.0525 175.4801 69 A 4.4132 7.1818 121.2338 51.8360 19.0585 177.8799 70 K 4.0994 9.0940 122.3626 58.3772 32.5890 177.6040 71 K 4.5389 8.5225 120.3436 54.6381 35.0308 175.1400 72 I 4.8999 8.3667 128.1965 60.0655 39.3375 174.6363 73 E 4.9966 9.0158 124.9611 54.4971 33.9627 174.7411 74 V 4.4331 8.8211 122.3957 60.9445 34.5390 173.9882 75 E 5.0832 8.8077 127.8942 53.2299 32.1462 174.8348 76 F 4.7098 8.7131 125.8252 57.4972 40.2043 175.7407 77 D 4.9619 8.4551 120.7897 53.3050 43.2095 175.8597 78 K 4.3233 9.1179 117.6332 58.0347 33.1447 178.6118 79 G 4.1583 8.0065 109.3020 44.4002 0.0000 173.5780 80 Q 3.8936 8.7193 124.6770 57.0573 29.3509 177.0517 81 R 4.5714 8.5211 122.0159 56.2668 31.7459 175.8898 82 T 4.9954 7.4472 106.9449 59.5641 71.8986 173.5490 83 D 4.6664 8.7944 123.9699 51.8591 41.5981 176.8850 84 K 3.9348 8.2097 116.9680 59.2394 32.5621 176.9283 85 Y 4.4416 8.2114 116.6533 57.6101 38.1590 176.4656 86 G 3.9122 8.1206 108.3188 45.3840 0.0000 173.9875 87 R 4.2289 7.9285 119.1046 55.3434 31.5905 176.3847 88 G 3.4771 8.5787 111.0827 46.1839 0.0000 172.4218 89 L 5.3165 9.0314 123.2512 52.0946 43.7373 175.7074 90 A 4.5182 8.2343 124.1427 50.7947 23.2319 173.9597 91 Y 4.8215 8.6751 117.6961 57.3946 39.6157 174.9957 92 I 4.7974 8.7770 124.7295 59.6711 40.2201 174.2018 93 Y 5.1815 9.0085 123.5570 56.0340 41.5997 174.5766 94 A 4.8673 9.3436 125.3475 50.2138 21.6223 176.2587 95 D 4.3814 9.9175 125.3629 55.8980 39.0455 175.4340 96 G 3.9718 8.3743 104.8226 45.3397 0.0000 173.4270 97 K 4.5525 7.9052 120.1759 54.7755 33.9457 175.2742 98 M 4.0703 8.4497 123.1030 54.6777 33.1013 176.8642 99 V 3.6021 8.5452 127.2805 66.2095 31.6612 177.4685 100 N 4.3089 8.0997 115.6107 56.5893 38.4262 176.8190 101 E 3.9166 8.0835 119.6000 59.0826 29.8525 178.2675 102 A 4.0693 8.0342 120.8740 55.3050 18.3988 179.4016 103 L 3.4549 8.1437 117.3751 57.9545 41.6724 180.0652 104 V 3.8548 7.4647 119.3265 65.5872 31.2840 178.0260 105 R 4.0637 8.2232 117.6047 59.1273 29.9512 177.4817 106 Q 4.3469 7.8251 115.2510 54.8646 29.0995 175.8980 107 G 3.8696 8.1323 108.7100 46.7916 0.0000 174.8785 108 L 4.4865 7.8887 117.1138 53.9911 42.1949 176.3075 109 A 4.8143 7.4815 119.9630 50.6199 22.8496 175.3672 110 K 4.8181 8.6960 119.3011 54.3073 35.0878 176.3211 111 V 4.2378 9.2346 124.1084 63.5290 32.0046 175.0162 112 A 4.2152 9.2300 126.8360 51.4611 23.1900 175.0766 113 Y 2.9883 7.6146 113.7932 58.9885 35.0357 172.8707 114 V 4.0252 7.2836 119.2094 61.8948 31.3046 173.6637 115 Y 4.7604 8.0816 124.5301 55.4200 39.7323 175.6690 116 K 4.0334 8.6532 124.7104 58.3018 32.6729 176.5558 117 G 4.1591 9.2165 113.7261 45.3046 0.0000 173.1758 118 N 5.2537 7.7258 115.8306 52.7544 39.1006 174.2385 119 N 5.2496 7.8844 109.9797 52.8576 38.8594 176.7441 120 T 3.8512 9.0784 118.6091 67.8347 68.7558 174.9040 121 H 4.7869 8.0829 115.9686 55.7423 29.0644 176.4685 122 E 3.9667 8.3820 123.2048 59.8943 29.3100 179.1897 123 Q 3.9809 8.0465 117.3406 58.5631 28.9473 178.0640 124 L 3.9201 7.9409 121.0474 58.1777 42.0667 179.1024 125 K 3.9897 8.0078 118.1705 59.7016 32.0377 179.6395 126 R 3.9118 8.3082 118.5495 58.9683 29.8773 179.1287 127 K 3.9000 8.1191 119.4587 59.3635 32.1297 178.7859 128 A 3.9822 7.9042 120.8178 55.0671 18.2979 179.2366 129 E 3.8622 8.4503 117.7624 59.2867 29.7255 178.8306 130 A 3.7676 7.8573 120.8591 55.1883 18.4042 179.4655 131 Q 3.8473 8.0668 117.8219 59.1752 29.1208 178.0677 132 A 4.0091 8.2211 122.1487 55.0652 18.3913 179.5988 133 K 3.5115 8.2570 118.4217 59.3428 31.9396 179.1929 134 K 3.9068 8.0868 118.1698 59.3886 32.0870 178.3349 135 E 4.2180 8.1687 115.5117 55.5269 29.9976 176.5044 136 K 4.0593 7.8719 117.7134 57.2165 30.5568 175.3121 137 L 4.3194 8.2107 118.1136 55.1771 44.4748 177.8584 138 N 3.6703 9.4147 120.8469 54.0036 37.5416 176.3129 139 I 3.1061 5.4200 124.9442 64.5453 37.7385 176.8427 140 W 4.8271 7.6928 117.9225 56.7865 28.8087 176.9817 141 S 4.5810 7.8047 112.8011 58.8062 63.1232 174.1949 142 E 4.1826 8.0507 125.8545 56.9281 29.2354 176.4703 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 6 K 8.31 4.34 0.00 1.90 2.04 0.00 1.42 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.55 7.81 7 L 7.77 4.75 0.00 1.78 1.70 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 8 H 9.11 5.04 0.00 3.27 3.37 0.00 5.45 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.54 4.58 0.00 1.56 1.81 0.00 1.38 0.00 0.00 1.11 0.00 0.00 2.13 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.99 1.19 7.81 10 E 9.27 5.04 0.00 2.06 2.06 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 2.43 2.30 0.00 11 P 0.00 4.79 0.00 2.12 2.08 0.00 3.94 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 2.06 2.02 0.00 12 A 8.10 4.89 1.21 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 13 T 8.33 4.69 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 1.23 0.00 0.00 14 L 8.56 4.19 0.00 1.65 1.62 1.00 1.07 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 15 I 8.89 4.34 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.75 0.93 0.00 0.00 16 K 7.60 4.61 0.00 1.78 1.86 0.00 1.50 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.44 7.81 17 A 8.77 4.34 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 18 I 7.77 4.46 2.06 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 1.47 0.89 0.89 0.00 0.00 19 D 7.77 4.70 0.00 2.88 2.78 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 20 G 9.08 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 0.00 0.00 0.00 21 D 8.18 5.13 0.00 2.99 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.61 5.83 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 1.21 0.00 0.00 23 V 8.22 4.72 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.02 0.00 0.00 24 K 9.10 5.06 0.00 1.88 1.83 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.61 7.81 25 L 9.17 5.32 0.00 1.78 1.51 0.31 0.64 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 26 M 9.28 4.92 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 27 Y 9.12 5.13 0.00 3.27 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.50 3.70 0.00 1.40 1.58 0.00 1.71 0.00 0.00 1.48 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.93 0.21 7.81 29 G 8.45 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 30 Q 7.82 4.71 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 31 P 0.00 4.96 0.00 2.11 2.10 0.00 3.76 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 2.01 2.02 0.00 32 M 9.25 4.89 0.00 1.63 2.06 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.53 0.00 33 T 8.46 4.74 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 1.22 0.00 0.00 34 F 9.59 4.98 0.00 3.09 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 35 R 9.10 5.03 0.00 1.87 1.78 0.00 3.37 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 36 L 8.85 4.57 0.00 1.67 1.63 0.93 0.95 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 37 L 8.44 4.01 0.00 0.98 1.36 0.36 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.96 4.20 0.00 2.06 1.94 1.19 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.34 5.16 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 0.75 0.00 0.00 1.04 0.00 0.00 40 D 9.17 5.01 0.00 2.92 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.74 4.86 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 42 P 0.00 4.51 0.00 2.05 2.04 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 43 E 9.29 4.02 0.00 2.02 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 2.35 2.43 0.00 *50 F 8.59 4.75 0.00 3.01 3.16 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 51 N 8.26 4.32 0.00 2.84 2.99 0.00 0.00 5.96 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 52 E 8.13 4.39 0.00 2.10 1.88 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 2.23 2.20 0.00 53 K 8.16 3.91 0.00 1.54 1.64 0.00 1.22 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.23 1.03 7.81 54 Y 7.73 4.03 0.00 3.18 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 55 G 7.96 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.39 0.00 2.07 2.01 0.00 3.40 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 1.76 1.34 0.00 57 E 8.18 4.03 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 2.51 2.50 0.00 58 A 8.46 4.06 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 59 S 8.52 4.22 0.00 4.26 4.05 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 60 A 8.41 4.08 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.41 4.02 0.00 3.31 3.25 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 62 T 8.14 3.88 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 1.29 0.00 0.00 63 K 8.13 3.81 0.00 1.97 2.04 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.56 1.53 7.81 64 K 8.11 3.86 0.00 1.87 1.64 0.00 1.66 0.00 0.00 1.48 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.39 7.81 65 M 7.56 3.84 0.00 2.00 1.82 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 66 V 7.87 3.85 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 0.85 0.00 0.00 0.99 0.00 0.00 67 E 8.22 4.01 0.00 2.11 1.99 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 2.33 2.27 0.00 68 N 8.06 4.48 0.00 2.78 2.83 0.00 0.00 7.01 6.69 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 69 A 7.18 4.41 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 70 K 9.09 4.10 0.00 1.95 1.87 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.51 7.81 71 K 8.52 4.54 0.00 1.79 1.61 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.38 7.81 72 I 8.37 4.90 1.99 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 1.33 1.38 0.82 0.00 0.00 73 E 9.02 5.00 0.00 1.90 1.75 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 2.19 2.20 0.00 74 V 8.82 4.43 1.66 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 -0.18 0.00 0.00 -0.04 0.00 0.00 75 E 8.81 5.08 0.00 2.17 2.30 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 2.52 2.35 0.00 76 F 8.71 4.71 0.00 3.00 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 77 D 8.46 4.96 0.00 2.73 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 78 K 9.12 4.32 0.00 1.91 1.89 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.45 7.81 79 G 8.01 4.16 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 0.00 80 Q 8.72 3.89 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.80 0.00 0.00 0.00 0.00 0.00 2.20 2.55 0.00 81 R 8.52 4.57 0.00 1.65 1.45 0.00 2.66 0.00 0.00 2.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 82 T 7.45 5.00 4.17 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 1.14 0.00 0.00 83 D 8.79 4.67 0.00 2.78 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 84 K 8.21 3.93 0.00 1.58 1.73 0.00 1.20 0.00 0.00 1.46 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.89 0.24 7.81 85 Y 8.21 4.44 0.00 3.08 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 86 G 8.12 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 0.00 0.00 0.00 87 R 7.93 4.23 0.00 2.05 1.87 0.00 3.12 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 88 G 8.58 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.03 5.32 0.00 1.53 1.59 0.88 0.59 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 90 A 8.23 4.52 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.68 4.82 0.00 3.07 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 92 I 8.78 4.80 1.77 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.91 0.80 0.00 0.00 93 Y 9.01 5.18 0.00 2.79 2.79 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 94 A 9.34 4.87 1.21 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 95 D 9.92 4.38 0.00 2.76 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 96 G 8.37 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 0.00 0.00 0.00 97 K 7.91 4.55 0.00 1.96 1.75 0.00 1.81 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.38 7.81 98 M 8.45 4.07 0.00 1.85 1.52 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 2.37 0.00 99 V 8.55 3.60 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 1.04 0.00 0.00 0.93 0.00 0.00 100 N 8.10 4.31 0.00 2.90 2.94 0.00 0.00 6.72 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 0.00 101 E 8.08 3.92 0.00 1.97 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 2.36 0.00 102 A 8.03 4.07 1.66 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 0.00 103 L 8.14 3.45 0.00 1.87 1.66 1.07 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.46 3.85 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 1.39 0.00 0.00 1.03 0.00 0.00 105 R 8.22 4.06 0.00 1.88 2.11 0.00 3.35 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 106 Q 7.83 4.35 0.00 1.54 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.40 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 107 G 8.13 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 7.89 4.49 0.00 1.15 1.51 0.44 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.48 4.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.70 4.82 0.00 1.72 1.78 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.51 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.42 1.12 7.81 111 V 9.23 4.24 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 0.78 0.00 0.00 1.01 0.00 0.00 112 A 9.23 4.22 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 0.00 113 Y 7.61 2.99 0.00 3.19 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 0.00 114 V 7.28 4.03 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 0.95 0.00 0.00 0.99 0.00 0.00 115 Y 8.08 4.76 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 0.00 116 K 8.65 4.03 0.00 1.78 1.79 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.50 7.81 117 G 9.22 4.16 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 0.00 118 N 7.73 5.25 0.00 2.79 2.86 0.00 0.00 6.74 8.58 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 0.00 119 N 7.88 5.25 0.00 2.88 3.19 0.00 0.00 6.09 7.22 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 0.00 120 T 9.08 3.85 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 1.11 0.00 0.00 121 H 8.08 4.79 0.00 2.93 3.09 0.00 5.63 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.38 3.97 0.00 2.17 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 2.40 0.00 123 Q 8.05 3.98 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.65 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 124 L 7.94 3.92 0.00 1.75 1.88 0.91 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 125 K 8.01 3.99 0.00 2.04 1.88 0.00 1.78 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.78 1.72 7.81 126 R 8.31 3.91 0.00 1.83 1.96 0.00 3.11 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 127 K 8.12 3.90 0.00 1.94 1.96 0.00 1.49 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.48 7.81 128 A 7.90 3.98 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 0.00 129 E 8.45 3.86 0.00 2.08 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 2.05 2.59 0.00 130 A 7.86 3.77 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 0.00 131 Q 8.07 3.85 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 132 A 8.22 4.01 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 0.00 133 K 8.26 3.51 0.00 0.80 1.46 0.00 1.21 0.00 0.00 1.19 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 0.68 7.81 134 K 8.09 3.91 0.00 1.87 1.82 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.53 7.81 135 E 8.17 4.22 0.00 1.95 1.99 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 2.33 2.39 0.00 136 K 7.87 4.06 0.00 1.91 1.91 0.00 1.85 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.55 7.81 137 L 8.21 4.32 0.00 1.88 1.67 1.00 0.58 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 0.00 138 N 9.41 3.67 0.00 2.55 1.48 0.00 0.00 7.14 7.48 0.00 0.00 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 I 5.42 3.11 0.96 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.13 -0.13 0.00 0.00 140 W 7.69 4.83 0.00 3.21 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 0.00 141 S 7.80 4.58 0.00 4.04 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 0.00 142 E 8.05 4.18 0.00 2.03 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 2.55 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.