NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.5446 8.4244 119.2040 52.8857 39.1074 173.7141 3 L 3.9158 8.4644 128.8363 54.9988 42.1276 174.3060 4 N 4.8420 8.8573 123.2992 53.9078 43.0534 174.0639 5 Q 5.0096 7.8228 117.4531 54.4276 32.5131 173.7276 6 L 4.8229 8.8685 127.3582 53.4183 45.1835 174.5698 7 D 5.0206 8.8149 125.5107 52.7525 43.2517 175.6254 8 I 4.3675 8.0893 122.5515 59.5502 40.2015 174.4303 9 I 4.7838 8.3526 128.0406 60.5474 38.6187 175.2939 10 V 4.9317 8.6590 119.7458 59.7637 35.7914 176.7487 11 S 4.3189 8.9232 117.2922 60.1606 64.0972 174.0472 12 N 4.9550 7.7153 119.0494 50.5149 38.7991 173.9087 13 V 3.6185 8.0274 122.4358 65.5298 31.9288 175.0339 14 P 4.2473 0.0000 0.0000 65.6520 31.0938 178.4245 15 Q 3.9334 8.0524 117.9474 59.1962 28.9989 178.2184 16 V 3.5831 7.8876 119.3264 65.9919 31.4259 177.5328 17 C 4.2584 8.7844 118.4810 62.5508 31.3848 175.2197 18 A 4.1684 8.2454 122.5391 55.4714 17.9339 179.3552 19 D 4.3857 8.3850 117.3381 57.5226 40.8537 178.7668 20 L 3.8788 8.1480 120.9038 58.0957 42.0065 178.7713 21 E 4.7771 8.4980 120.0670 59.3501 29.1930 179.1472 22 H 4.2483 7.7215 115.1487 58.9468 28.8708 177.6393 23 I 3.8957 7.6267 120.4635 64.2541 36.3657 177.9768 24 L 4.3758 8.4696 118.9460 54.4465 41.6184 176.6323 25 D 4.4355 8.1459 117.3868 54.2648 40.4529 173.0921 26 K 4.7115 7.3816 110.8524 54.8321 35.7841 175.6269 27 K 4.5218 8.4493 119.8139 55.6426 32.8516 176.9460 28 A 3.0933 9.0721 125.3720 52.1263 18.6684 178.0225 29 D 4.4822 8.3490 122.4532 57.5269 41.3218 176.7407 30 Y 4.6679 7.3723 116.0839 56.7407 41.5565 172.5791 31 A 4.7219 7.0665 127.2245 50.8007 21.8786 174.8164 32 N 5.0506 9.2989 118.2736 50.9690 42.7274 175.4651 33 D 4.4518 8.8810 118.7847 57.2435 40.9600 177.9481 34 G 4.3060 7.9948 102.9099 45.4450 0.0000 171.9068 35 F 5.5450 8.1890 120.6592 57.0167 43.2524 172.8394 36 A 4.8620 7.8886 125.6877 50.3266 22.5968 175.1881 37 Q 4.4033 8.9036 121.8201 54.1978 32.2352 174.1373 38 F 5.0571 9.2789 124.8179 55.9810 42.3569 174.5524 39 T 4.9033 7.9828 116.4619 62.1332 69.7866 175.1440 40 I 4.4956 8.6397 127.5837 59.6456 39.2710 178.0615 41 G 3.9375 8.4930 119.1920 46.8270 0.0000 172.2794 42 S 4.6900 9.2017 115.6734 57.8416 63.6538 172.9834 43 H 5.0738 8.0078 120.4360 55.0875 33.4198 171.7837 44 C 5.2856 9.0461 122.1161 58.2683 30.9958 172.4217 45 L 5.4997 8.6207 122.9355 52.0625 46.2657 174.7356 *47 L 4.4825 8.1802 118.9195 54.6255 43.4109 176.3082 48 S 5.0793 8.8705 117.1977 56.9542 65.4432 174.3234 49 Q 4.9398 9.1433 128.3475 57.9802 29.6160 176.1845 50 N 4.3838 7.7669 116.6554 53.7547 39.4778 174.1980 51 H 4.7376 8.5545 122.3590 54.3507 28.4654 174.8477 52 L 4.1144 8.6722 127.5871 57.3116 42.1495 176.9825 53 V 4.5600 7.2907 108.4393 58.1947 35.4460 173.1722 54 P 4.2989 0.0000 0.0000 63.1531 31.1197 176.0218 55 L 4.3069 7.9911 121.9925 55.6100 42.6109 173.2088 56 E 4.6670 8.2954 118.0258 54.1840 31.6557 175.9838 57 N 4.6180 8.4506 117.6293 53.1300 39.1900 175.1405 58 F 4.1854 9.0219 124.0178 58.7108 39.3948 173.6068 59 Q 4.1266 6.9026 124.2553 56.0515 31.2775 177.4352 60 S 4.3005 6.6514 113.7663 57.6376 65.4743 174.6806 61 G 4.0918 9.6644 109.6085 44.9935 0.0000 172.8410 62 I 4.8621 7.7883 111.4601 58.9012 41.6354 173.8692 63 I 4.8096 8.2330 122.8389 59.6551 40.2992 174.9595 64 I 4.1723 8.4194 128.2433 60.1487 38.4996 174.3272 65 H 5.0682 8.6305 124.9207 54.5383 30.2079 174.9581 66 I 4.4676 9.2649 125.0271 59.2121 39.7975 174.5024 67 E 3.8520 8.8331 129.1742 55.9490 29.9577 176.0960 68 V 4.5591 8.3788 119.6538 59.5663 35.2840 175.8491 69 E 3.9991 8.8687 121.3537 58.6558 29.7170 177.1899 70 D 4.6023 7.7086 117.2466 51.6022 43.5801 175.7285 71 V 3.6612 8.2566 127.5364 66.1090 31.7802 177.4407 72 D 4.4353 8.1306 118.2950 57.2590 40.7667 178.2676 73 Q 3.9749 8.5154 120.1651 59.2726 28.9765 178.0580 74 N 4.1592 7.8727 117.5559 56.2842 38.4338 176.4222 75 Y 4.3069 8.1851 121.0452 60.8353 38.8856 178.2158 76 K 3.5970 8.1010 120.1530 59.3894 32.3791 178.4601 77 R 3.8110 7.8492 118.7669 59.6554 30.1064 178.5350 78 L 3.9844 8.1122 118.9469 57.6846 41.6738 179.3216 79 N 4.2185 8.1463 116.6904 56.3649 38.2369 177.3316 80 E 3.9587 7.8979 118.6886 59.2851 29.5756 179.0779 81 L 4.1868 7.5227 117.4918 55.5847 41.7109 178.1710 82 G 3.8866 7.5715 105.9207 45.4157 0.0000 173.4212 83 I 3.9382 7.2327 119.6639 60.4520 38.0634 175.9817 84 K 4.0295 8.7301 127.7590 56.7643 33.1772 175.4934 85 V 4.4590 8.3921 128.4514 62.0636 31.6985 175.5294 86 L 4.3729 9.1135 129.2835 57.3698 42.8632 177.1713 87 H 4.6120 7.9958 119.0461 54.8399 32.8728 173.7334 88 G 3.9086 8.5543 113.5377 44.8880 0.0000 170.7178 89 P 5.2920 0.0000 0.0000 62.5316 31.7631 176.3827 90 T 4.9013 8.4111 112.8544 60.0535 72.8341 172.6926 91 V 5.1600 8.1940 120.7159 60.1723 34.6393 175.4293 92 T 4.4429 8.7001 112.8886 60.4729 70.1039 175.3231 93 D 4.2412 8.4111 121.5274 56.4682 41.0332 176.9687 94 W 4.4908 8.3033 116.7952 56.5460 29.2001 176.5857 95 G 3.8319 8.6741 106.7016 45.9419 0.0000 173.9528 96 T 4.6123 7.9633 117.0735 62.4024 69.3506 173.3592 97 E 5.1705 9.0752 129.1136 54.9686 31.5903 175.0805 98 S 5.3776 9.2528 120.2760 55.9759 67.7239 172.7174 99 L 4.9635 8.8708 121.8997 53.9461 45.3943 174.3218 100 L 5.2193 8.9480 127.0467 53.3348 43.7323 176.1487 101 V 4.9646 9.0760 116.9457 59.3370 35.9457 174.6792 102 Q 4.3357 9.2233 126.2464 56.0132 29.3854 176.0585 103 G 4.1858 8.9793 115.2700 43.9089 0.0000 171.1932 104 P 4.4852 0.0000 0.0000 63.2298 31.9280 175.7725 105 A 3.6837 9.3909 119.1472 53.4426 15.7471 179.0615 106 G 4.3506 8.4964 107.2842 47.9283 0.0000 174.8510 107 L 4.3538 7.9211 120.3037 54.6676 43.1528 176.1696 108 V 4.8230 7.9616 118.8295 61.1032 34.7413 174.2213 109 L 5.0288 8.8758 126.9884 52.8069 45.3277 174.7934 110 D 5.3037 8.6932 122.4304 52.5586 43.5607 174.5890 111 F 5.3097 9.2195 126.0339 56.5518 40.3709 174.6830 112 Y 5.2204 9.1563 121.8745 55.7219 42.2181 174.6822 113 R 3.9562 8.6723 114.9763 55.1257 33.1828 175.4890 *115 K 4.1230 8.5886 117.8159 57.3199 32.5209 175.6497 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 N 8.42 4.54 0.00 2.67 2.83 0.00 0.00 6.96 6.89 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 3 L 8.46 3.92 0.00 1.71 1.60 0.94 0.71 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 4 N 8.86 4.84 0.00 2.77 2.74 0.00 0.00 6.46 8.10 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 5 Q 7.82 5.01 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 6 L 8.87 4.82 0.00 1.82 1.46 0.89 1.08 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 7 D 8.81 5.02 0.00 2.60 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 8 I 8.09 4.37 1.74 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.70 0.60 0.00 0.00 9 I 8.35 4.78 1.91 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 1.37 0.84 1.04 0.00 0.00 10 V 8.66 4.93 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.95 0.00 0.00 11 S 8.92 4.32 0.00 4.00 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 12 N 7.72 4.95 0.00 2.71 2.71 0.00 0.00 6.85 7.71 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 13 V 8.03 3.62 2.29 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 1.07 0.00 0.00 0.98 0.00 0.00 14 P 0.00 4.25 0.00 2.20 2.08 0.00 3.90 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 15 Q 8.05 3.93 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 16 V 7.89 3.58 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 1.03 0.00 0.00 17 C 8.78 4.26 0.00 3.08 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 18 A 8.25 4.17 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 19 D 8.39 4.39 0.00 2.88 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.15 3.88 0.00 1.90 1.44 0.75 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.50 4.78 0.00 2.17 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 2.79 2.80 0.00 22 H 7.72 4.25 0.00 3.21 3.37 0.00 5.86 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 23 I 7.63 3.90 2.03 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 1.58 0.58 1.13 0.00 0.00 24 L 8.47 4.38 0.00 1.76 1.76 0.46 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.15 4.44 0.00 2.77 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 26 K 7.38 4.71 0.00 1.99 1.90 0.00 1.45 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.62 7.81 27 K 8.45 4.52 0.00 1.75 1.73 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.37 7.81 28 A 9.07 3.09 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 29 D 8.35 4.48 0.00 2.78 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 30 Y 7.37 4.67 0.00 3.01 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 31 A 7.07 4.72 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 32 N 9.30 5.05 0.00 2.90 2.80 0.00 0.00 7.06 7.96 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 33 D 8.88 4.45 0.00 2.66 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.99 4.31 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 0.00 35 F 8.19 5.54 0.00 3.19 2.85 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 36 A 7.89 4.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.90 4.40 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 38 F 9.28 5.06 0.00 3.01 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 39 T 7.98 4.90 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 1.26 0.00 0.00 40 I 8.64 4.50 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.97 0.93 0.00 0.00 41 G 8.49 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 42 S 9.20 4.69 0.00 4.00 3.98 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 0.00 0.00 0.00 43 H 8.01 5.07 0.00 3.18 3.08 0.00 5.56 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 C 9.05 5.29 0.00 2.95 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 45 L 8.62 5.50 0.00 1.68 1.51 0.80 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 *47 L 8.18 4.48 0.00 1.60 1.59 1.02 0.63 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 48 S 8.87 5.08 0.00 4.01 3.71 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 49 Q 9.14 4.94 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.62 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 50 N 7.77 4.38 0.00 2.75 2.79 0.00 0.00 7.22 7.77 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 51 H 8.55 4.74 0.00 3.18 3.52 0.00 5.78 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.67 4.11 0.00 1.64 1.74 0.95 0.98 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 53 V 7.29 4.56 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 0.83 0.00 0.00 0.95 0.00 0.00 54 P 0.00 4.30 0.00 2.05 2.03 0.00 3.73 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 2.04 2.10 0.00 55 L 7.99 4.31 0.00 1.65 1.61 0.71 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.30 4.67 0.00 1.95 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 2.23 2.30 0.00 57 N 8.45 4.62 0.00 2.75 2.83 0.00 0.00 6.87 7.45 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 58 F 9.02 4.19 0.00 2.95 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 59 Q 6.90 4.13 0.00 1.83 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.33 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 60 S 6.65 4.30 0.00 3.61 3.57 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 61 G 9.66 4.09 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 0.00 0.00 0.00 62 I 7.79 4.86 1.88 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.87 1.08 0.00 0.00 63 I 8.23 4.81 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 1.29 0.65 0.56 0.00 0.00 64 I 8.42 4.17 1.68 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.63 0.72 0.00 0.00 65 H 8.63 5.07 0.00 2.94 3.05 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 9.26 4.47 1.57 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.49 0.95 0.00 0.00 67 E 8.83 3.85 0.00 1.63 1.67 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 1.98 1.58 0.00 68 V 8.38 4.56 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 1.00 0.00 0.00 1.07 0.00 0.00 69 E 8.87 4.00 0.00 1.95 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 2.30 2.23 0.00 70 D 7.71 4.60 0.00 2.64 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.26 3.66 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.04 0.00 0.00 72 D 8.13 4.44 0.00 2.88 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 8.52 3.97 0.00 2.32 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 74 N 7.87 4.16 0.00 2.77 2.39 0.00 0.00 6.66 7.37 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 75 Y 8.19 4.31 0.00 3.08 3.23 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 76 K 8.10 3.60 0.00 1.83 1.89 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.38 7.81 77 R 7.85 3.81 0.00 1.95 2.01 0.00 3.10 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 78 L 8.11 3.98 0.00 1.79 1.68 0.69 0.56 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 79 N 8.15 4.22 0.00 2.59 2.64 0.00 0.00 6.99 7.93 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 80 E 7.90 3.96 0.00 2.04 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 2.28 2.50 0.00 81 L 7.52 4.19 0.00 1.80 1.70 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.57 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 83 I 7.23 3.94 1.88 0.00 0.00 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 1.11 0.86 0.96 0.00 0.00 84 K 8.73 4.03 0.00 1.91 1.74 0.00 1.62 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.54 7.81 85 V 8.39 4.46 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 1.03 0.00 0.00 1.23 0.00 0.00 86 L 9.11 4.37 0.00 1.70 1.74 1.01 0.92 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 87 H 8.00 4.61 0.00 3.17 3.12 0.00 5.69 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 88 G 8.55 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 89 P 0.00 5.29 0.00 1.78 1.99 0.00 2.96 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.40 0.00 90 T 8.41 4.90 4.25 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 1.17 0.00 0.00 91 V 8.19 5.16 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 0.78 0.00 0.00 0.96 0.00 0.00 92 T 8.70 4.44 4.66 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 1.35 0.00 0.00 93 D 8.41 4.24 0.00 2.15 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.30 4.49 0.00 3.52 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 95 G 8.67 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 96 T 7.96 4.61 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 1.41 0.00 0.00 97 E 9.08 5.17 0.00 2.09 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 2.31 0.00 98 S 9.25 5.38 0.00 4.26 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 99 L 8.87 4.96 0.00 1.72 1.84 0.96 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.95 5.22 0.00 1.74 1.59 0.93 0.52 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 0.00 101 V 9.08 4.96 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 0.93 0.00 0.00 1.16 0.00 0.00 102 Q 9.22 4.34 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 103 G 8.98 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 0.00 104 P 0.00 4.49 0.00 2.25 2.35 0.00 3.80 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 105 A 9.39 3.68 1.46 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 0.00 0.00 106 G 8.50 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 0.00 107 L 7.92 4.35 0.00 1.64 1.47 0.76 -0.12 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 0.00 108 V 7.96 4.82 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 0.96 0.00 0.00 109 L 8.88 5.03 0.00 1.54 1.00 0.84 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.69 5.30 0.00 2.58 2.26 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 0.00 111 F 9.22 5.31 0.00 3.06 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 0.00 112 Y 9.16 5.22 0.00 3.24 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 R 8.67 3.96 0.00 1.80 2.24 0.00 3.01 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 1.51 1.63 0.00 *115 K 8.59 4.12 0.00 1.86 1.86 0.00 1.86 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.91 7.81 * Residues marked with a * may have inaccurate shift predictions.