NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 36 N 3.5946 8.2833 119.1655 52.2952 39.7261 174.4165 37 P 3.9256 0.0000 0.0000 65.4691 31.4160 177.9242 38 K 3.1270 6.7735 117.6094 58.3379 33.5532 176.0199 39 R 4.5483 7.4818 111.8202 55.6500 30.1326 176.0153 40 S 4.4353 8.8079 116.5375 59.7777 63.8461 174.4703 41 S 4.4933 7.5897 111.8862 56.4024 65.4121 172.6332 42 D 4.7716 7.8301 122.9104 54.7330 42.6106 177.8408 43 Y 4.3917 7.2647 116.6646 61.4058 37.6351 177.5733 44 Y 2.0000 7.8573 118.2084 58.8193 37.2750 177.7785 45 N 4.0143 6.8185 116.5178 53.6563 39.4956 175.8550 46 R 4.3105 7.1385 115.8462 55.7324 31.1143 176.3859 47 S 4.3501 7.4306 113.3422 57.9589 63.0950 174.3158 48 T 4.0337 8.5291 115.2983 63.7632 69.4120 174.1283 49 S 5.2366 7.9349 116.9847 55.0669 61.3039 172.3153 50 P 4.6380 0.0000 0.0000 63.6901 32.8654 176.6546 51 W 5.7785 8.4975 117.3048 55.3462 31.7640 173.6336 52 N 5.2980 9.5195 117.5278 51.6487 41.5391 173.7502 53 L 5.4687 8.4927 119.6890 53.5328 45.0134 175.7960 54 H 4.8901 9.1144 118.3489 53.6491 32.1805 173.1109 55 R 3.0585 8.6817 124.4292 56.5288 30.6499 175.6652 56 N 4.6974 8.4340 124.5772 51.6426 40.6317 171.3432 57 E 4.7541 8.3384 125.2825 54.7225 31.2974 174.7420 58 D 4.4036 8.8444 126.2710 52.2623 43.5007 173.4998 59 P 4.0168 0.0000 0.0000 67.1564 32.2243 178.0627 60 E 4.3798 7.6836 115.8899 53.2320 28.4564 178.1957 61 R 4.4641 7.0445 119.1461 55.6389 33.5052 172.4083 62 Y 4.6181 8.6069 125.6988 54.8326 41.0317 172.8316 63 P 3.2895 0.0000 0.0000 61.6727 32.3078 176.7149 64 S 4.4294 8.3474 118.3581 59.9820 63.7999 174.2781 65 V 4.4442 7.1741 119.2651 60.7687 32.6299 175.3668 66 I 4.6110 7.9915 120.8575 58.8483 40.8178 174.3869 67 W 4.8238 8.9608 125.4987 55.4676 30.3061 175.0237 68 E 4.6447 9.2343 127.4316 54.4905 30.7063 174.9616 69 A 5.1273 8.7840 129.5798 51.5980 20.0913 176.6045 70 K 4.5734 9.1806 121.4340 54.7764 35.7290 175.0857 71 C 4.8000 9.0528 125.0878 57.3949 40.3135 174.1958 72 R 3.8921 8.8368 123.0558 58.8671 29.9761 175.9825 73 H 5.1234 7.6714 112.0759 53.6696 33.2765 173.0851 74 L 4.1023 8.7334 122.4488 58.1463 42.1696 177.2880 75 G 3.8237 7.6791 103.8761 45.3941 0.0000 173.1184 76 C 5.3420 8.1184 115.6728 54.6403 43.4362 174.3080 77 I 4.3566 8.8181 123.9466 61.6881 37.4852 175.6187 78 N 4.8863 8.6177 123.7066 50.5498 39.7899 175.0974 79 A 3.9521 8.5392 119.9749 55.5731 18.2787 178.5338 80 D 4.3947 8.2382 114.0330 55.4623 41.1169 177.6115 81 G 3.8887 8.4304 107.7056 45.1939 0.0000 172.8544 82 N 4.9101 7.5363 116.4589 51.0916 41.5038 174.3876 83 V 3.9163 8.1667 121.3648 63.0268 32.5356 174.5746 84 D 4.7100 8.8146 128.1266 52.4730 43.4911 175.3496 85 Y 4.5638 8.5149 122.9184 58.5117 37.9732 176.0003 86 H 4.6314 9.2406 117.0672 57.0297 28.7934 174.7016 87 M 4.9938 7.4803 116.2547 54.2377 34.7118 173.1469 88 N 5.3706 8.8874 116.5136 51.4279 42.8539 174.1287 89 S 4.8056 8.8307 119.2605 58.6441 64.1515 173.7390 90 V 4.7552 9.0249 118.3484 58.5701 35.3268 173.4799 91 P 4.6583 0.0000 0.0000 62.8942 32.5723 175.6876 92 I 4.2095 9.2763 124.5030 60.3250 38.2853 175.0122 93 Q 4.8774 8.5430 126.4457 55.1954 30.1656 175.2408 94 Q 4.5768 9.0326 122.8534 54.4213 33.1468 173.5748 95 E 4.7190 8.7691 124.5905 56.1649 30.4716 176.0979 96 I 4.6979 8.4151 124.3553 59.3177 40.9136 175.2998 97 L 4.2713 8.5675 126.2595 54.7031 42.3559 175.7264 98 V 4.2879 8.1865 122.0024 64.1023 33.9717 174.9768 *115 I 3.9969 7.3281 111.8352 60.5941 39.3752 173.1756 116 L 4.9426 8.3219 124.9786 53.9816 43.1357 175.7429 117 V 4.4815 8.7612 125.8091 61.1694 35.3814 174.2870 118 S 4.9163 8.5672 123.0700 57.8381 63.3981 174.7091 119 V 3.7036 8.6861 126.3121 63.9866 32.2719 175.5265 120 G 2.5379 6.5036 105.2387 45.8053 0.0000 172.3240 121 C 5.1840 6.9497 115.8764 55.2452 40.7302 173.6283 122 T 4.7205 8.7450 116.0435 60.4349 71.1473 171.2006 123 C 5.4210 8.6964 123.5808 54.8557 46.5358 173.0118 124 V 4.7471 8.8677 119.9512 59.7970 34.1627 175.0223 125 T 5.0417 8.3468 113.7234 59.2377 71.2794 172.5285 126 P 4.5126 0.0000 0.0000 63.5774 31.9538 175.9920 127 I 4.4633 6.6293 119.1880 59.9358 39.5472 175.6895 128 V 3.7067 7.9670 123.3103 62.4809 31.4785 175.3260 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 36 N 8.28 3.59 0.00 2.18 2.35 0.00 0.00 7.05 6.82 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 37 P 0.00 3.93 0.00 2.17 2.09 0.00 2.87 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 K 6.77 3.13 0.00 1.28 1.39 0.00 1.41 0.00 0.00 1.52 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.08 0.59 7.81 39 R 7.48 4.55 0.00 1.86 1.83 0.00 3.02 0.00 0.00 3.08 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.44 0.00 40 S 8.81 4.44 0.00 3.82 3.90 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 41 S 7.59 4.49 0.00 3.70 3.69 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 42 D 7.83 4.77 0.00 2.57 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 7.26 4.39 0.00 3.33 2.98 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 44 Y 7.86 2.00 0.00 1.93 2.34 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 45 N 6.82 4.01 0.00 1.89 2.45 0.00 0.00 6.91 7.12 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 46 R 7.14 4.31 0.00 1.79 1.92 0.00 3.25 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 47 S 7.43 4.35 0.00 4.04 3.77 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 48 T 8.53 4.03 4.36 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 1.24 0.00 0.00 49 S 7.93 5.24 0.00 4.00 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 50 P 0.00 4.64 0.00 2.07 2.13 0.00 3.78 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 51 W 8.50 5.78 0.00 3.35 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 52 N 9.52 5.30 0.00 2.76 2.79 0.00 0.00 7.22 7.29 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 53 L 8.49 5.47 0.00 1.53 1.88 0.67 1.20 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 54 H 9.11 4.89 0.00 3.24 3.17 0.00 5.82 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.68 3.06 0.00 0.79 1.53 0.00 3.01 0.00 0.00 3.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.20 0.00 56 N 8.43 4.70 0.00 2.70 2.64 0.00 0.00 6.42 7.79 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 57 E 8.34 4.75 0.00 1.86 1.72 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 2.16 2.21 0.00 58 D 8.84 4.40 0.00 2.47 2.51 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 59 P 0.00 4.02 0.00 2.04 2.08 0.00 3.90 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 2.03 1.99 0.00 60 E 7.68 4.38 0.00 1.99 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 0.00 2.22 1.86 0.00 61 R 7.04 4.46 0.00 1.73 1.90 0.00 3.29 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.46 0.00 62 Y 8.61 4.62 0.00 2.93 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 63 P 0.00 3.29 0.00 1.94 1.56 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.82 0.00 64 S 8.35 4.43 0.00 3.90 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 65 V 7.17 4.44 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 0.47 0.00 0.00 0.90 0.00 0.00 66 I 7.99 4.61 1.85 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 1.13 0.51 0.87 0.00 0.00 67 W 8.96 4.82 0.00 3.19 3.27 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 68 E 9.23 4.64 0.00 2.03 1.83 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 2.22 2.25 0.00 69 A 8.78 5.13 1.10 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 0.00 0.00 70 K 9.18 4.57 0.00 1.88 1.77 0.00 1.54 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.52 7.81 71 C 9.05 4.80 0.00 2.97 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 72 R 8.84 3.89 0.00 1.97 1.62 0.00 3.48 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 73 H 7.67 5.12 0.00 3.26 3.12 0.00 5.95 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.73 4.10 0.00 1.84 1.88 0.99 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 75 G 7.68 3.82 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 0.00 76 C 8.12 5.34 0.00 2.84 3.02 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 77 I 8.82 4.36 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.72 0.85 0.00 0.00 78 N 8.62 4.89 0.00 2.92 2.93 0.00 0.00 6.60 7.01 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 79 A 8.54 3.95 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 80 D 8.24 4.39 0.00 2.81 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 81 G 8.43 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 82 N 7.54 4.91 0.00 2.63 2.71 0.00 0.00 6.70 7.68 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 83 V 8.17 3.92 1.95 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 0.12 0.00 0.00 0.71 0.00 0.00 84 D 8.81 4.71 0.00 2.65 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 85 Y 8.51 4.56 0.00 2.97 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 86 H 9.24 4.63 0.00 3.18 3.35 0.00 5.86 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 M 7.48 4.99 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 88 N 8.89 5.37 0.00 2.69 2.73 0.00 0.00 7.39 7.16 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 89 S 8.83 4.81 0.00 4.04 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 90 V 9.02 4.76 2.07 0.00 0.00 0.00 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 0.96 0.00 0.00 91 P 0.00 4.66 0.00 2.01 2.00 0.00 3.74 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 1.96 1.98 0.00 92 I 9.28 4.21 1.72 0.00 0.00 0.74 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 0.45 0.85 0.00 0.00 93 Q 8.54 4.88 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 94 Q 9.03 4.58 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.00 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 95 E 8.77 4.72 0.00 1.89 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 2.30 2.28 0.00 96 I 8.42 4.70 1.87 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 1.24 0.61 0.92 0.00 0.00 97 L 8.57 4.27 0.00 1.66 1.63 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.19 4.29 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 0.96 0.00 0.00 0.94 0.00 0.00 *115 I 7.33 4.00 1.86 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 1.23 0.53 0.90 0.00 0.00 116 L 8.32 4.94 0.00 1.64 1.59 1.02 0.83 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 0.00 117 V 8.76 4.48 2.07 0.00 0.00 0.00 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 0.97 0.00 0.00 118 S 8.57 4.92 0.00 3.87 3.72 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 0.00 119 V 8.69 3.70 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 0.70 0.00 0.00 0.89 0.00 0.00 120 G 6.50 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 0.00 0.00 0.00 121 C 6.95 5.18 0.00 3.25 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 T 8.75 4.72 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 1.19 0.00 0.00 123 C 8.70 5.42 0.00 3.02 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 0.00 124 V 8.87 4.75 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 0.74 0.00 0.00 0.94 0.00 0.00 125 T 8.35 5.04 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 1.22 0.00 0.00 126 P 0.00 4.51 0.00 2.22 2.22 0.00 3.73 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 2.00 2.01 0.00 127 I 6.63 4.46 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 1.19 0.69 0.91 0.00 0.00 128 V 7.97 3.71 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 0.74 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.