NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3593 8.1733 120.0848 55.9464 34.8799 175.2131 4 I 4.2021 7.3098 120.5775 59.0969 39.1084 173.4821 5 R 5.7506 9.7741 127.4215 53.6264 33.5270 173.7921 6 I 5.6638 8.2740 118.4322 58.2702 40.5985 174.1734 7 K 4.7436 8.5293 125.6846 54.6693 34.5103 175.0629 8 L 5.1095 9.0776 125.0666 53.1263 44.3227 174.8636 9 R 4.6351 8.5508 124.6195 56.0668 33.5195 171.6238 10 G 3.6057 8.2602 106.7566 45.3666 0.0000 173.1055 11 F 4.8972 8.6151 115.8151 58.9726 41.2954 175.4469 12 D 4.5879 8.0421 120.8665 54.0501 41.4878 175.7729 13 H 4.6723 8.8685 120.6457 55.9449 28.9250 175.1434 14 K 4.3443 8.4024 119.6259 58.7713 33.7027 178.4333 15 T 4.1103 7.6298 104.4976 62.9537 69.0603 174.3744 16 L 4.5679 7.3827 122.5684 54.5051 43.6102 177.0129 17 D 4.4496 7.8432 116.2030 55.4514 41.5475 176.3210 18 A 4.5736 7.7949 120.6976 53.0755 21.1089 178.3941 19 S 4.2115 7.9740 109.4062 60.0492 63.6890 175.6666 20 A 4.3152 7.3916 122.2958 53.2581 19.0206 177.5713 21 Q 4.3209 7.7550 114.4773 56.2947 30.1029 176.2834 22 K 4.1577 7.7610 119.1611 59.9302 32.6628 179.1782 23 I 4.2066 6.9504 117.6395 61.1073 36.3376 176.8675 24 V 4.4944 7.5604 116.3442 62.3751 34.1105 174.5475 25 E 4.5040 8.5397 117.2022 56.9106 31.7005 177.0011 26 A 4.7949 8.0520 118.9596 51.6245 19.4000 176.9828 27 A 4.6175 7.6272 120.9799 53.7537 21.3080 179.5406 28 R 3.9464 8.0575 113.9666 59.2013 30.5116 178.0895 29 R 4.0364 7.5210 117.8381 58.9134 30.3594 177.4553 30 S 4.4084 7.9851 111.2770 59.0289 63.8387 173.2137 31 G 4.4166 7.9692 108.4904 42.3020 0.0000 171.5392 32 A 3.8123 8.3151 120.9100 55.1690 18.1712 177.5392 33 Q 4.6854 8.1189 111.3538 53.2377 34.5508 174.2368 34 V 4.8805 8.1705 121.6072 60.7557 33.9590 175.2444 35 S 4.2471 9.4457 124.0643 58.2315 63.2613 174.1972 36 G 3.9692 8.7575 113.4692 43.4087 0.0000 170.9493 37 P 4.5123 0.0000 0.0000 62.7851 31.9689 175.6614 38 I 4.5230 9.1340 119.7682 58.4273 39.8936 172.7714 39 P 4.9891 0.0000 0.0000 61.2225 32.3447 175.6749 40 L 4.5303 7.8734 126.7060 53.4072 42.3071 174.7593 41 P 4.1848 0.0000 0.0000 64.2062 31.0342 177.1708 42 T 4.2944 8.2222 119.6897 61.9095 67.2597 172.6142 43 R 3.8783 8.2427 122.7228 56.9275 31.3186 175.3556 44 V 4.2699 8.3338 123.7679 61.5662 33.5778 175.6542 45 R 4.3725 7.9146 127.1454 54.4547 30.6208 174.5318 46 R 4.3208 7.7958 122.7904 54.5755 32.7606 175.4943 47 F 4.7259 8.1149 111.3956 56.7658 41.3391 173.4413 48 T 4.9027 8.9151 120.5221 62.5241 70.3807 174.2175 49 V 4.6105 8.1713 122.3556 60.2196 35.7275 174.6904 50 I 4.0386 8.2987 115.4466 59.7821 36.4958 176.1900 51 R 3.2168 7.5093 120.8888 59.0923 30.9830 177.0686 52 G 3.9684 7.9462 110.8811 45.5682 0.0000 171.5630 53 P 4.3375 0.0000 0.0000 65.6464 31.0309 177.3013 54 F 4.6024 7.6979 121.6181 57.4345 39.8561 174.5290 55 K 4.0445 7.5938 119.8508 57.1581 34.1072 176.1963 56 H 4.8382 8.2412 122.8124 54.3828 30.3652 175.0822 57 K 3.8178 7.7963 117.5869 57.9838 33.4943 176.6951 58 D 4.8272 9.1150 120.1200 55.4098 43.8774 175.8323 59 S 3.5824 8.3578 110.0204 60.5321 61.9431 171.4641 60 R 4.2637 7.2728 122.5539 56.7385 32.4479 175.4363 61 E 4.6418 8.2477 118.4500 55.7227 33.2715 174.7098 62 H 4.8096 8.5588 121.7500 53.5734 31.8045 172.2792 63 F 5.2463 8.2163 115.5481 54.9539 41.6523 173.0775 64 E 4.7386 8.7232 116.0391 54.2292 32.2384 175.6645 65 L 4.4615 7.9796 120.7331 52.5497 41.6673 174.0034 66 R 3.9005 7.9480 117.2724 56.9394 30.9481 177.0940 67 T 4.6745 8.1920 120.4569 60.7065 66.7499 174.1278 68 H 4.5630 8.5053 124.9780 55.9092 29.2142 174.5298 69 N 5.1886 8.5330 115.7806 52.0709 43.2320 173.5253 70 R 4.8486 8.7068 120.7196 55.2464 34.3435 173.3863 71 L 5.2784 9.4654 126.6082 53.6001 45.8942 175.2529 72 V 4.7618 8.2828 123.6355 61.7479 35.5502 172.9061 73 D 5.1107 8.7681 126.7038 52.4409 44.4753 174.5937 74 I 4.8077 8.0675 115.2181 59.6525 39.6971 176.3557 75 I 3.8147 8.7177 118.8296 62.8744 38.8267 175.3422 76 N 4.7150 8.0770 122.3691 51.1561 39.6281 173.6581 77 P 4.6023 0.0000 0.0000 61.1339 30.3256 174.8052 78 N 4.9970 7.9599 125.8814 51.6426 41.2957 175.8459 79 R 3.9947 8.3897 119.1518 58.6771 30.1056 178.9083 80 K 4.1023 7.9342 119.1920 59.4567 32.6246 178.5369 81 T 4.6423 7.7204 110.8456 64.7001 69.2596 176.5720 82 I 3.6726 7.7029 123.6165 63.7117 36.9699 177.5687 83 E 4.0236 8.1298 120.3386 59.0720 29.3333 179.3122 84 Q 4.3075 7.7664 112.9004 56.4815 28.1082 176.5255 85 L 4.5758 8.2443 117.1219 56.2076 44.3708 178.2470 86 M 4.1187 8.2930 120.6371 57.7642 32.0718 176.1078 87 T 4.4171 7.1198 104.4494 63.2998 71.4114 174.8094 88 L 4.1856 7.6419 130.5497 54.2539 40.1221 174.2371 89 D 5.0097 8.1084 120.9407 52.0834 43.1263 176.7506 90 L 4.8127 8.1593 126.0630 53.5806 42.7118 176.4174 91 P 4.5587 0.0000 0.0000 60.9296 30.5945 174.8565 92 T 3.9699 8.2883 121.2140 65.8185 67.2690 175.4658 93 G 4.0591 7.5928 102.9378 46.1485 0.0000 172.7230 94 V 3.8949 7.4562 119.8477 62.4740 32.2666 174.3935 95 E 4.9208 8.5092 123.8594 54.4085 33.0161 174.3686 96 I 4.9916 7.9835 115.9746 59.6359 40.7243 173.9191 97 E 4.8268 9.4722 124.2191 54.6716 34.1167 174.6563 98 I 5.0932 8.3542 122.2966 59.7353 40.1888 174.8358 99 K 4.9173 9.5599 126.7382 54.9962 36.3696 175.1518 100 T 5.2138 8.1421 112.8403 61.2560 72.2236 174.8260 *101 V 3.9074 8.1789 117.8140 61.1038 32.4044 174.7943 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 3 K 8.17 4.36 0.00 1.73 1.92 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.48 7.81 4 I 7.31 4.20 1.87 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 1.11 1.21 0.91 0.00 0.00 5 R 9.77 5.75 0.00 1.73 1.81 0.00 3.07 0.00 0.00 3.31 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 6 I 8.27 5.66 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.21 0.90 0.00 0.00 7 K 8.53 4.74 0.00 1.68 1.75 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.39 7.81 8 L 9.08 5.11 0.00 1.50 1.52 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.55 4.64 0.00 1.61 1.69 0.00 3.13 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.54 0.00 10 G 8.26 3.61 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 0.00 0.00 0.00 11 F 8.62 4.90 0.00 3.02 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 12 D 8.04 4.59 0.00 2.77 2.58 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 0.00 0.00 0.00 0.00 13 H 8.87 4.67 0.00 3.09 3.13 0.00 5.53 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.40 4.34 0.00 2.14 1.84 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.38 1.57 7.81 15 T 7.63 4.11 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 nan 0.00 0.00 16 L 7.38 4.57 0.00 1.69 1.75 0.91 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.84 4.45 0.00 2.83 2.70 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 18 A 7.79 4.57 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 19 S 7.97 4.21 0.00 4.00 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 20 A 7.39 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 21 Q 7.75 4.32 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.96 0.00 0.00 0.00 0.00 0.00 2.45 2.32 0.00 22 K 7.76 4.16 0.00 1.95 1.91 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.54 7.81 23 I 6.95 4.21 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.86 0.90 0.00 0.00 24 V 7.56 4.49 2.22 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 0.81 0.00 0.00 0.97 0.00 0.00 25 E 8.54 4.50 0.00 2.04 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 2.20 2.30 0.00 26 A 8.05 4.79 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 27 A 7.63 4.62 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 28 R 8.06 3.95 0.00 1.81 2.00 0.00 3.32 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 29 R 7.52 4.04 0.00 1.67 2.02 0.00 3.25 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 30 S 7.99 4.41 0.00 4.09 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 31 G 7.97 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.32 3.81 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 33 Q 8.12 4.69 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 34 V 8.17 4.88 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 0.91 0.00 0.00 0.93 0.00 0.00 35 S 9.45 4.25 0.00 3.86 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 36 G 8.76 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 37 P 0.00 4.51 0.00 1.94 2.03 0.00 3.64 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 2.02 2.16 0.00 38 I 9.13 4.52 1.87 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 1.40 0.96 0.98 0.00 0.00 39 P 0.00 4.99 0.00 2.11 2.12 0.00 3.76 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 40 L 7.87 4.53 0.00 1.88 1.75 0.93 0.94 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 41 P 0.00 4.18 0.00 2.19 2.14 0.00 3.76 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 2.00 2.02 0.00 42 T 8.22 4.29 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 1.02 0.00 0.00 43 R 8.24 3.88 0.00 1.74 1.89 0.00 3.27 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.61 0.00 44 V 8.33 4.27 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 0.63 0.00 0.00 0.91 0.00 0.00 45 R 7.91 4.37 0.00 2.03 1.50 0.00 3.30 0.00 0.00 3.05 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.72 0.00 46 R 7.80 4.32 0.00 1.58 1.66 0.00 3.19 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.46 0.00 47 F 8.11 4.73 0.00 3.09 3.19 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 48 T 8.92 4.90 4.29 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 0.00 0.00 0.00 1.16 0.00 0.00 49 V 8.17 4.61 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 0.69 0.00 0.00 0.96 0.00 0.00 50 I 8.30 4.04 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.93 0.89 0.00 0.00 51 R 7.51 3.22 0.00 1.82 1.85 0.00 3.31 0.00 0.00 3.21 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 52 G 7.95 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 53 P 0.00 4.34 0.00 2.26 2.24 0.00 3.84 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 54 F 7.70 4.60 0.00 2.87 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 55 K 7.59 4.04 0.00 1.59 1.31 0.00 1.10 0.00 0.00 1.27 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.73 1.06 7.81 56 H 8.24 4.84 0.00 3.16 3.21 0.00 5.66 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.80 3.82 0.00 1.70 1.87 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.42 7.81 58 D 9.12 4.83 0.00 2.61 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 59 S 8.36 3.58 0.00 4.02 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 60 R 7.27 4.26 0.00 1.70 2.13 0.00 3.14 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.56 0.00 61 E 8.25 4.64 0.00 1.92 1.50 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 1.93 2.16 0.00 62 H 8.56 4.81 0.00 3.14 3.09 0.00 5.54 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.22 5.25 0.00 3.20 3.26 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 64 E 8.72 4.74 0.00 1.72 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 2.12 2.19 0.00 65 L 7.98 4.46 0.00 1.59 1.45 0.15 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.95 3.90 0.00 1.67 1.76 0.00 3.21 0.00 0.00 3.08 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 67 T 8.19 4.67 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 1.32 0.00 0.00 68 H 8.51 4.56 0.00 2.93 3.29 0.00 5.85 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.53 5.19 0.00 2.75 2.65 0.00 0.00 6.23 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 70 R 8.71 4.85 0.00 1.87 1.84 0.00 3.02 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 71 L 9.47 5.28 0.00 1.71 1.53 1.00 0.44 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 72 V 8.28 4.76 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 0.90 0.00 0.00 0.97 0.00 0.00 73 D 8.77 5.11 0.00 2.58 2.48 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 74 I 8.07 4.81 1.87 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 1.39 0.90 0.91 0.00 0.00 75 I 8.72 3.81 1.87 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 1.41 0.63 0.91 0.00 0.00 76 N 8.08 4.72 0.00 2.73 2.87 0.00 0.00 6.91 7.69 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 77 P 0.00 4.60 0.00 2.21 2.06 0.00 3.77 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 1.92 1.93 0.00 78 N 7.96 5.00 0.00 3.08 2.96 0.00 0.00 6.97 7.54 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 79 R 8.39 3.99 0.00 1.80 2.04 0.00 3.37 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 80 K 7.93 4.10 0.00 1.74 2.03 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.44 7.81 81 T 7.72 4.64 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 1.34 0.00 0.00 82 I 7.70 3.67 1.87 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 1.67 1.38 0.91 0.00 0.00 83 E 8.13 4.02 0.00 2.20 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 2.34 0.00 84 Q 7.77 4.31 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.64 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 85 L 8.24 4.58 0.00 1.60 1.53 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.29 4.12 0.00 1.99 2.29 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 87 T 7.12 4.42 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 1.23 0.00 0.00 88 L 7.64 4.19 0.00 1.60 1.79 0.92 1.12 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 89 D 8.11 5.01 0.00 2.67 2.54 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 90 L 8.16 4.81 0.00 1.53 1.58 0.89 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.56 0.00 2.28 2.06 0.00 3.76 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 92 T 8.29 3.97 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 1.21 0.00 0.00 93 G 7.59 4.06 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 0.00 0.00 0.00 94 V 7.46 3.89 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 0.81 0.00 0.00 0.97 0.00 0.00 95 E 8.51 4.92 0.00 1.98 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 2.20 2.28 0.00 96 I 7.98 4.99 1.85 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 0.94 0.89 0.00 0.00 97 E 9.47 4.83 0.00 1.82 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.39 0.00 98 I 8.35 5.09 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.47 0.91 0.00 0.00 99 K 9.56 4.92 0.00 1.58 1.65 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.48 7.81 100 T 8.14 5.21 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 1.21 0.00 0.00 *101 V 8.18 3.91 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.