NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.4003 8.2027 119.6423 55.8023 30.7455 173.2472 3 V 4.6912 8.4569 123.5058 60.1813 34.2964 172.7933 4 S 4.6598 9.2907 122.5088 56.4771 65.7477 171.9890 5 V 4.9651 8.4513 126.9075 61.2071 33.6244 174.2291 6 E 4.7793 8.8399 123.8521 55.4605 33.2652 174.4755 7 T 4.4621 8.3973 117.9526 63.3970 68.9355 173.9233 8 T 4.2140 7.9232 115.4973 61.8756 70.3406 173.9335 9 Q 4.5289 7.5727 117.5560 54.8437 32.7226 174.9969 10 G 3.8747 8.2407 108.6389 47.4864 0.0000 174.3504 11 L 4.3663 8.4601 124.8821 54.6217 41.8010 175.9431 12 G 4.1731 8.1200 108.3467 45.3864 0.0000 173.5764 13 R 5.0668 8.5652 122.2557 54.1174 35.1449 174.2703 14 R 4.5461 9.0012 120.7980 54.6824 33.7142 173.7335 15 V 4.8531 8.9285 126.7065 61.5329 33.9898 174.1049 16 T 4.8572 9.1740 125.1179 61.8439 70.8401 173.5343 17 I 5.5121 8.0202 126.4737 58.6441 41.1099 174.4799 18 T 5.0239 8.5120 121.9992 61.9161 70.9968 173.3443 19 I 4.5990 9.5099 128.5942 59.2363 39.4577 175.5304 20 A 4.4773 8.7966 129.6951 52.1815 19.3177 177.7487 21 A 4.2304 9.6404 125.4382 55.5456 18.4547 180.0643 22 D 4.5128 8.0901 115.9561 55.8217 39.6340 178.6236 23 S 4.1544 7.8986 117.0053 61.4767 62.7265 176.5288 24 I 3.7716 7.6997 122.2101 64.4067 36.9694 178.1000 25 E 3.9991 8.2121 119.4498 59.6599 29.2847 179.5857 26 T 3.8449 8.2305 115.7467 66.6339 68.5542 176.6464 27 A 4.0101 7.8200 122.6871 54.9936 18.3851 179.9207 28 V 3.5014 7.9991 116.9639 65.9820 31.6287 178.2289 29 K 3.9587 8.3279 119.6865 59.5637 32.0953 178.9770 30 S 4.0869 8.1517 115.4463 61.6787 62.7079 176.3753 31 E 3.9555 8.2505 121.9735 59.0216 29.3474 178.5757 32 L 3.9281 8.0439 120.6673 58.0193 42.1980 179.1378 33 V 3.6232 7.8370 118.3743 65.8863 31.2043 177.6889 34 N 4.5121 7.7305 115.0336 55.7603 38.7552 177.3376 35 V 3.6303 8.0935 120.0186 65.7224 31.5838 177.9631 36 A 4.0310 8.1208 120.6511 54.9990 17.9431 179.7652 37 K 3.9504 7.4129 114.9944 59.2432 32.1317 179.1151 38 K 4.1639 7.5435 117.2651 57.0757 32.7395 177.5604 39 V 3.7509 7.2380 119.5730 62.2155 32.1378 174.6619 40 R 4.7168 8.3264 126.2725 54.8492 31.2804 173.4872 41 I 4.4990 8.1444 123.6542 60.2376 41.1600 173.2390 42 D 4.4037 9.7994 119.8420 55.3886 38.1199 175.3834 43 G 3.7796 8.4487 106.3724 45.3166 0.0000 174.2415 44 F 4.5935 7.5211 117.7527 56.1781 40.3298 175.9730 45 R 4.2062 8.3676 122.0272 55.4383 30.7007 176.1872 46 K 4.3320 8.3813 121.1360 58.1270 32.4179 177.3638 47 G 4.4648 9.2098 114.7581 45.6731 0.0000 173.8957 48 K 4.4333 7.7575 117.5617 55.8333 32.5253 176.3545 49 V 3.0806 7.4887 119.7537 61.6000 32.8279 175.6847 50 P 4.4222 0.0000 0.0000 61.8554 30.6330 177.2081 *52 N 4.6812 8.7473 115.6266 53.9910 39.5144 177.0407 53 I 3.7347 7.4716 119.3102 64.0214 37.2921 178.2105 54 V 3.7093 7.8848 118.9343 65.9361 31.2544 178.0387 55 A 3.9972 7.8688 120.0378 55.2620 18.1719 179.2662 56 Q 3.8398 7.9997 116.9054 58.9706 29.1140 178.1755 57 R 3.9427 7.7649 118.1436 57.9602 30.6867 177.4569 58 Y 4.8665 8.0193 113.8108 57.1829 38.7829 177.6893 59 G 3.6823 8.2908 108.9219 47.8906 0.0000 175.7444 60 A 3.9945 7.9584 123.1091 55.0467 18.4123 179.7764 61 S 4.0733 8.0417 113.0994 61.7116 62.8931 176.9991 62 V 3.5611 8.1502 121.2710 65.8308 31.2444 178.3586 63 R 3.7951 8.1534 118.0033 59.2001 29.9169 178.9219 64 Q 3.7488 7.9898 117.7043 58.9465 28.7786 178.2773 65 D 4.2220 8.0788 118.9779 57.5456 41.2002 178.6386 66 V 3.5224 8.0123 118.8740 65.7911 31.2565 177.9218 67 L 3.7740 7.5603 117.8528 57.5721 41.4903 179.3151 68 G 3.5910 7.4950 104.1236 47.7962 0.0000 174.6806 69 D 4.4893 7.9182 120.8299 56.7837 41.2573 179.7440 70 L 4.2956 8.1022 119.5227 54.7835 41.6710 179.6481 *72 S 4.7966 7.9539 114.6353 58.9938 65.0455 176.6791 73 R 4.0305 8.0752 118.9935 59.5250 29.7279 179.0013 74 N 4.5287 8.6219 116.3314 55.9464 38.4405 177.4345 75 F 4.3371 8.4716 121.8278 61.4205 39.7869 177.0787 76 I 3.3693 7.9509 119.3893 64.5006 36.9316 178.1414 77 D 4.3256 8.2267 119.3835 57.1707 40.5509 178.8399 78 A 3.9305 7.9204 121.4452 55.2027 18.4983 179.8498 79 I 3.6174 7.5612 111.7768 63.7957 37.3195 178.6242 80 I 3.6331 7.4800 121.7223 64.1992 36.7440 178.4938 81 K 3.9570 7.7352 117.9074 59.5947 31.9081 178.2420 82 E 4.0787 8.4541 115.7374 56.4039 30.0162 176.5154 83 K 3.7804 7.3401 118.1167 57.7641 30.0863 174.9637 84 I 4.4778 7.7685 116.4910 59.0510 40.7981 174.0016 85 N 4.7940 8.5456 124.2802 50.5313 39.9672 172.7461 86 P 4.3591 0.0000 0.0000 62.3278 31.9366 176.9269 87 A 2.8057 8.9597 126.8388 54.0010 19.3258 177.7120 88 G 3.9620 7.4033 107.0239 44.9829 0.0000 172.4104 89 A 4.5209 8.5805 127.8505 50.0556 20.0469 175.3032 90 P 4.6652 0.0000 0.0000 63.0343 32.8058 175.7185 91 T 4.5855 8.9386 118.5871 62.1495 70.8097 173.0886 92 Y 4.6460 8.6664 124.4506 57.3603 39.9238 174.8329 93 V 4.7463 9.1544 124.4692 60.0204 32.8827 172.7137 94 P 4.7951 0.0000 0.0000 62.7564 32.3505 177.1879 95 G 4.2702 8.3951 108.8984 44.7007 0.0000 172.2739 96 E 4.6309 8.8274 118.3396 55.4748 31.0070 174.8085 97 Y 4.7287 8.6794 123.1390 56.0895 39.9260 174.6134 98 K 4.1511 7.8866 126.7489 53.9195 33.5163 175.2561 99 L 3.5320 8.0435 125.4045 56.6977 42.1106 177.4088 100 G 3.8915 8.8970 112.4174 45.8358 0.0000 172.3403 101 E 4.7533 7.7874 118.5835 53.9830 32.4375 175.4895 102 D 4.8543 8.6281 120.3231 54.6302 42.0592 175.9649 103 F 5.0750 9.5277 122.8777 57.0121 41.9481 173.6426 104 T 5.1231 8.1121 122.5886 62.0244 71.3851 172.9564 105 Y 4.6836 8.4793 122.6778 56.0010 42.3861 173.5192 106 S 5.0762 9.2035 114.5975 56.6692 67.4567 173.6314 107 V 4.6094 8.7395 121.5186 61.1909 34.4802 174.1260 108 E 5.0788 8.7693 127.2948 54.7829 33.0528 175.0057 109 F 4.7513 7.3009 116.4454 56.8860 41.9481 172.0490 110 E 5.1693 8.6660 117.0770 54.8324 32.9660 175.9014 111 V 4.7280 8.0491 114.6487 59.5901 34.5414 175.5356 112 Y 4.4621 8.2647 119.4597 57.1831 38.4106 174.4107 113 P 4.5709 0.0000 0.0000 62.0415 32.4101 175.7669 114 E 4.1063 8.4617 120.4337 55.9799 30.2919 176.9878 115 V 3.5120 8.7823 125.7643 66.1365 31.9300 175.6095 116 E 4.1418 7.9901 121.9971 56.7619 29.3718 175.0622 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 Q 8.20 4.40 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 3 V 8.46 4.69 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 0.75 0.00 0.00 0.93 0.00 0.00 4 S 9.29 4.66 0.00 3.85 3.60 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 5 V 8.45 4.97 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 0.92 0.00 0.00 0.96 0.00 0.00 6 E 8.84 4.78 0.00 2.01 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 2.13 2.23 0.00 7 T 8.40 4.46 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 8 T 7.92 4.21 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 1.11 0.00 0.00 9 Q 7.57 4.53 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.99 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 10 G 8.24 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 11 L 8.46 4.37 0.00 1.89 1.83 1.00 0.85 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 12 G 8.12 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 0.00 0.00 0.00 0.00 13 R 8.57 5.07 0.00 0.67 1.41 0.00 3.17 0.00 0.00 2.99 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 14 R 9.00 4.55 0.00 1.63 1.60 0.00 3.14 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.45 0.00 15 V 8.93 4.85 2.38 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 1.10 0.00 0.00 1.26 0.00 0.00 16 T 9.17 4.86 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 1.11 0.00 0.00 17 I 8.02 5.51 1.01 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 1.19 1.10 0.99 0.00 0.00 18 T 8.51 5.02 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 1.30 0.00 0.00 19 I 9.51 4.60 2.18 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 1.05 0.00 0.00 20 A 8.80 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 21 A 9.64 4.23 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.09 4.51 0.00 2.94 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 23 S 7.90 4.15 0.00 4.16 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 24 I 7.70 3.77 2.17 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 1.67 0.84 0.93 0.00 0.00 25 E 8.21 4.00 0.00 2.02 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 2.56 2.52 0.00 26 T 8.23 3.84 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 1.22 0.00 0.00 27 A 7.82 4.01 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 28 V 8.00 3.50 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 0.98 0.00 0.00 0.91 0.00 0.00 29 K 8.33 3.96 0.00 1.93 1.93 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 30 S 8.15 4.09 0.00 4.04 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 31 E 8.25 3.96 0.00 2.02 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 2.27 2.27 0.00 32 L 8.04 3.93 0.00 2.12 1.64 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.84 3.62 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 0.94 0.00 0.00 34 N 7.73 4.51 0.00 2.85 2.82 0.00 0.00 6.98 7.84 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 35 V 8.09 3.63 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 0.77 0.00 0.00 0.89 0.00 0.00 36 A 8.12 4.03 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 37 K 7.41 3.95 0.00 1.97 1.87 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.70 7.81 38 K 7.54 4.16 0.00 1.77 1.80 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.58 7.81 39 V 7.24 3.75 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 1.14 0.00 0.00 0.84 0.00 0.00 40 R 8.33 4.72 0.00 1.78 1.82 0.00 3.33 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.77 0.00 41 I 8.14 4.50 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.10 1.05 0.00 0.00 42 D 9.80 4.40 0.00 3.14 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 43 G 8.45 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 44 F 7.52 4.59 0.00 3.24 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 45 R 8.37 4.21 0.00 1.94 1.89 0.00 3.16 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 46 K 8.38 4.33 0.00 1.73 1.74 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.55 1.57 7.81 47 G 9.21 4.46 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 0.00 48 K 7.76 4.43 0.00 1.97 1.88 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.58 1.54 7.81 49 V 7.49 3.08 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 0.69 0.00 0.00 1.11 0.00 0.00 50 P 0.00 4.42 0.00 1.99 1.74 0.00 2.57 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 *52 N 8.75 4.68 0.00 2.87 3.09 0.00 0.00 6.01 7.80 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 53 I 7.47 3.73 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.66 0.95 0.00 0.00 54 V 7.88 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 1.06 0.00 0.00 1.02 0.00 0.00 55 A 7.87 4.00 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 56 Q 8.00 3.84 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 57 R 7.76 3.94 0.00 1.31 0.68 0.00 3.03 0.00 0.00 2.93 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.55 0.00 58 Y 8.02 4.87 0.00 3.10 2.88 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 59 G 8.29 3.68 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 0.00 0.00 0.00 60 A 7.96 3.99 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 61 S 8.04 4.07 0.00 3.97 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 62 V 8.15 3.56 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 1.11 0.00 0.00 1.02 0.00 0.00 63 R 8.15 3.80 0.00 2.00 1.79 0.00 3.27 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 64 Q 7.99 3.75 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 65 D 8.08 4.22 0.00 2.70 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 66 V 8.01 3.52 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 0.92 0.00 0.00 1.02 0.00 0.00 67 L 7.56 3.77 0.00 1.50 1.22 -0.37 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.50 3.59 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 0.00 0.00 0.00 69 D 7.92 4.49 0.00 2.81 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 70 L 8.10 4.30 0.00 1.64 1.70 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 *72 S 7.95 4.80 0.00 4.04 4.01 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 73 R 8.08 4.03 0.00 1.99 2.03 0.00 3.18 0.00 0.00 3.47 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 74 N 8.62 4.53 0.00 3.21 3.12 0.00 0.00 6.64 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 75 F 8.47 4.34 0.00 3.45 3.51 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 76 I 7.95 3.37 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.10 0.87 0.00 0.00 77 D 8.23 4.33 0.00 2.85 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 78 A 7.92 3.93 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 79 I 7.56 3.62 1.79 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 1.29 0.40 -0.03 0.00 0.00 80 I 7.48 3.63 1.96 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 1.45 1.00 0.88 0.00 0.00 81 K 7.74 3.96 0.00 1.86 1.85 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.59 7.81 82 E 8.45 4.08 0.00 1.96 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 2.48 2.42 0.00 83 K 7.34 3.78 0.00 1.81 1.83 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.52 7.81 84 I 7.77 4.48 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.00 0.96 0.00 0.00 85 N 8.55 4.79 0.00 2.78 2.74 0.00 0.00 7.06 8.02 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 86 P 0.00 4.36 0.00 1.82 1.56 0.00 3.45 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.76 0.00 87 A 8.96 2.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 G 7.40 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 89 A 8.58 4.52 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 90 P 0.00 4.67 0.00 1.28 1.79 0.00 3.77 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 1.95 2.03 0.00 91 T 8.94 4.59 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 1.22 0.00 0.00 92 Y 8.67 4.65 0.00 2.89 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 93 V 9.15 4.75 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 1.10 0.00 0.00 0.94 0.00 0.00 94 P 0.00 4.80 0.00 2.43 2.29 0.00 3.91 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 2.11 2.07 0.00 95 G 8.40 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 0.00 0.00 0.00 0.00 96 E 8.83 4.63 0.00 2.17 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 2.30 2.37 0.00 97 Y 8.68 4.73 0.00 2.76 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 98 K 7.89 4.15 0.00 1.67 1.54 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.27 7.81 99 L 8.04 3.53 0.00 1.49 1.53 1.07 1.13 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 0.00 100 G 8.90 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 0.00 101 E 7.79 4.75 0.00 1.90 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 2.32 2.34 0.00 102 D 8.63 4.85 0.00 2.62 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 0.00 103 F 9.53 5.08 0.00 3.31 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 0.00 104 T 8.11 5.12 4.11 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 1.14 0.00 0.00 105 Y 8.48 4.68 0.00 3.20 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 0.00 106 S 9.20 5.08 0.00 3.71 3.67 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 0.00 107 V 8.74 4.61 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 -0.20 0.00 0.00 0.64 0.00 0.00 108 E 8.77 5.08 0.00 1.79 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 2.08 2.12 0.00 109 F 7.30 4.75 0.00 3.03 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 0.00 110 E 8.67 5.17 0.00 1.87 1.84 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 2.27 2.24 0.00 111 V 8.05 4.73 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 0.85 0.00 0.00 1.03 0.00 0.00 112 Y 8.26 4.46 0.00 3.04 2.83 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 0.00 113 P 0.00 4.57 0.00 2.22 2.10 0.00 4.02 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 114 E 8.46 4.11 0.00 1.95 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 2.30 2.37 0.00 115 V 8.78 3.51 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 0.85 0.00 0.00 0.92 0.00 0.00 116 E 7.99 4.14 0.00 2.08 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 2.26 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.