NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.3370 8.1576 120.1367 56.5558 34.8847 177.7252 7 D 4.2211 8.2223 119.0977 56.4148 39.1323 177.1028 8 N 4.3955 8.2824 118.4243 55.4222 39.0818 178.6966 9 V 3.5933 7.7562 119.5194 66.0709 31.6954 178.3947 10 V 3.8077 8.2004 119.2218 64.4409 31.2033 178.4334 11 K 3.9324 7.9414 118.7945 59.5183 31.9980 178.8822 12 D 4.3591 8.2400 118.9395 57.5032 40.7348 179.1858 13 K 4.0746 8.5905 119.5774 59.4082 31.9397 179.6537 14 S 4.2099 8.3582 114.7936 61.1599 62.9333 176.4042 15 L 3.9475 7.9919 123.9747 58.0879 41.8374 178.7280 16 E 4.0008 8.3036 118.5558 59.4492 29.3353 179.2318 17 F 4.1482 8.6300 120.6200 61.0915 39.3905 176.8998 18 A 3.8864 8.3692 120.7244 55.2326 18.0804 179.7754 19 V 3.4727 7.7669 116.5440 66.2600 31.5499 178.2917 20 R 3.8273 8.0724 117.9035 59.4687 29.7594 179.1638 21 I 3.5315 7.4941 119.5313 64.1032 37.0654 178.5577 22 V 3.5853 7.9223 119.3529 66.2320 31.3424 177.9234 23 N 4.4247 8.4267 116.3512 56.0224 38.2339 177.2530 24 L 4.0046 8.2042 122.1915 58.1296 42.1492 178.1743 25 Y 3.9839 8.2853 119.7927 60.7938 38.7108 178.4057 26 K 3.8440 8.1956 119.1737 59.2999 32.1285 179.0112 27 F 4.1424 8.1799 120.8163 61.3001 39.2422 177.1445 28 L 3.4720 8.0650 118.7567 57.6186 41.2922 179.8262 29 V 2.7625 7.3672 118.3124 65.7514 31.2014 177.8596 30 N 4.2467 7.9989 115.1228 55.8545 38.6069 176.2957 31 E 4.1200 7.7119 118.1481 58.4246 30.0865 177.4891 32 Q 4.0905 7.3531 113.8593 55.1361 29.6290 175.3437 33 K 3.4710 7.2814 115.8853 56.1684 29.6861 174.8903 34 E 4.1889 7.4071 118.3665 54.4823 30.8294 175.0267 35 F 4.6882 8.5607 123.0032 56.5446 40.6437 176.1645 36 V 4.0517 7.8968 120.0683 62.9937 31.4688 177.0116 *38 S 4.3368 7.9601 113.7040 58.7426 64.9054 175.8729 39 K 3.9635 8.0023 121.7226 59.0166 31.8807 178.5495 40 Q 3.6006 7.3646 118.2347 58.8462 28.3508 178.6212 41 I 3.8981 7.1436 120.1695 62.7640 38.1604 177.4497 42 L 3.8330 7.9268 121.6870 57.9490 41.8577 178.9016 43 R 3.8078 7.6508 118.2469 59.4893 29.6248 178.6642 44 S 4.5529 7.6717 115.5588 61.0348 62.8551 176.6314 45 G 3.8155 8.3820 109.1772 47.2147 0.0000 175.3492 46 T 4.2233 7.8812 111.0739 63.9285 69.1547 177.1800 47 S 4.2163 8.0779 118.1428 61.1181 62.7133 176.1048 48 I 3.7901 7.5919 122.1829 64.5768 36.8241 178.3921 49 G 3.6535 8.1559 105.3989 47.8090 0.0000 174.9782 50 A 4.0103 7.8104 123.1299 55.3345 18.2964 179.5613 51 N 4.3773 8.2957 114.6933 56.2547 38.5948 177.7990 52 I 3.6636 7.7694 121.4755 64.1757 36.9126 178.4228 53 R 3.8872 8.0036 118.8222 59.5204 30.4092 178.0017 54 E 4.1017 8.2366 118.1508 59.3533 29.4461 179.1025 55 A 4.0188 8.3191 121.0905 55.4061 18.2153 179.3035 56 E 4.0741 8.2576 116.2795 59.0727 29.7232 178.0369 57 Q 4.4089 7.6151 114.7604 54.5333 29.4597 175.7434 58 A 4.1436 7.5644 124.3780 52.6961 18.8138 178.1034 59 Q 4.3391 8.6416 120.3441 56.7529 29.6804 176.0872 60 S 4.6926 7.4290 112.4051 55.7762 67.3961 174.7446 61 R 3.9410 8.5055 121.4599 59.4439 29.8436 178.2100 62 A 4.0273 8.0217 120.1787 55.3884 18.4253 179.2246 63 D 4.3109 8.3079 117.3731 57.2506 40.8735 178.6339 64 F 4.1684 8.3232 121.1885 61.5977 39.3723 177.3114 65 I 3.5587 8.2261 119.5889 64.1308 36.8589 177.8072 66 N 4.2332 8.3230 118.0456 56.8908 38.6769 177.1075 67 K 3.9671 8.0178 119.6424 59.3759 32.0865 179.4553 68 L 3.8439 7.6958 119.3314 57.7124 41.3512 179.2853 69 N 4.2936 8.4265 116.9016 56.2294 38.3582 177.5264 70 I 3.6462 7.9440 121.0559 64.2422 37.1305 178.0438 71 A 3.9629 8.1779 121.9547 55.3337 18.0663 179.4828 72 L 3.8323 8.0583 118.6512 58.0638 42.0831 178.9180 73 K 3.8513 8.2829 119.8618 59.7848 31.6432 178.6234 74 E 4.0328 8.4551 118.6636 59.0784 29.3477 179.1492 75 A 4.0717 8.3208 121.3064 55.3174 18.4515 179.4895 76 N 4.3389 8.4553 115.2828 56.3454 38.5342 177.3625 77 E 3.9740 8.5614 121.0592 59.4090 29.4899 178.8401 78 T 4.1991 8.3157 115.9954 67.0254 68.6177 176.3580 79 E 4.1769 8.3887 120.3556 59.3746 29.4030 178.8495 80 Y 4.0921 8.0336 119.6683 60.6545 38.8538 178.2108 81 W 4.2111 8.2683 119.8981 59.6407 29.1313 178.3412 82 L 4.1959 8.6423 119.5276 58.0395 41.0699 179.2268 83 E 3.9754 8.4727 119.0385 59.3085 29.6445 178.8914 84 L 3.9417 7.8287 119.0284 57.7846 41.6791 179.5043 85 L 4.2801 8.4480 120.7584 57.2771 41.5753 179.4498 86 I 3.7738 8.0778 118.7034 64.0813 37.6986 178.0764 87 R 3.9594 8.0247 118.4039 58.8283 30.2538 178.0677 88 T 4.3766 7.8951 107.2811 60.5706 68.9151 174.7988 89 E 3.7337 7.9129 119.1741 58.0271 27.5549 175.4477 90 Y 4.1425 8.1404 118.7132 59.4803 38.3727 176.0366 91 I 4.9395 7.5832 111.4742 58.4998 40.6743 175.6694 92 T 4.2966 8.8238 113.1624 60.9864 70.9241 175.7209 93 R 3.9307 8.5097 120.8770 59.8454 29.9708 178.3025 94 E 3.9964 8.1624 117.6563 59.4922 29.5637 179.1209 95 Q 3.9833 8.1709 118.0582 59.0445 28.7502 178.2393 96 Y 4.0252 8.3058 120.6031 60.8054 38.8339 177.7955 97 E 3.8482 8.6324 120.4465 59.1880 29.5848 178.7213 98 S 4.0509 8.1629 113.0958 61.5697 62.5443 176.3048 99 I 3.8489 7.8170 122.5201 64.3313 36.8525 177.9396 100 N 4.1904 8.3054 118.3830 56.6050 38.6569 176.4871 101 N 4.2737 8.3949 118.2776 56.6376 38.7439 177.1192 102 D 4.3191 7.9112 120.2239 57.1743 40.8131 178.8046 103 S 3.2409 7.9100 113.9418 61.3465 62.4594 176.3961 104 T 3.9397 8.2452 112.6747 64.3073 68.6186 176.2639 105 E 3.8681 8.0297 122.6551 59.2258 29.5648 178.8174 106 I 3.6206 7.4050 119.3041 64.2757 37.0751 177.8017 107 N 4.2027 8.1912 117.6595 56.6636 38.4347 177.5557 108 K 3.9613 8.0361 119.3357 59.3181 32.0537 179.5389 109 L 3.9726 7.7762 118.8403 57.6761 41.4863 179.4772 110 L 3.9288 8.1296 119.1750 57.8832 41.5339 179.6259 111 I 3.6545 7.8554 119.7182 64.3990 36.8259 178.2464 112 S 4.0898 7.9087 112.6306 61.6177 62.4561 176.1398 113 I 3.9268 7.9381 122.2991 64.5072 36.6673 178.4737 114 I 3.7584 7.8584 119.8140 64.1716 37.0330 177.8399 115 K 4.3187 8.1554 116.4608 57.1875 32.1208 177.7733 116 T 4.2249 7.6702 122.0798 63.8671 68.5403 173.9177 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 8.16 4.34 0.00 1.86 1.94 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.45 7.81 7 D 8.22 4.22 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.28 4.40 0.00 2.77 2.91 0.00 0.00 6.68 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 9 V 7.76 3.59 2.20 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 1.02 0.00 0.00 0.94 0.00 0.00 10 V 8.20 3.81 2.15 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 0.82 0.00 0.00 0.90 0.00 0.00 11 K 7.94 3.93 0.00 2.08 1.92 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.49 1.63 7.81 12 D 8.24 4.36 0.00 2.84 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.59 4.07 0.00 1.74 1.85 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.65 1.58 7.81 14 S 8.36 4.21 0.00 4.10 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 15 L 7.99 3.95 0.00 1.83 1.88 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.30 4.00 0.00 2.24 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 2.56 2.49 0.00 17 F 8.63 4.15 0.00 3.21 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 18 A 8.37 3.89 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 19 V 7.77 3.47 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 1.09 0.00 0.00 0.98 0.00 0.00 20 R 8.07 3.83 0.00 1.76 1.82 0.00 3.28 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 21 I 7.49 3.53 1.78 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.39 0.85 0.00 0.00 22 V 7.92 3.59 2.18 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 1.05 0.00 0.00 0.93 0.00 0.00 23 N 8.43 4.42 0.00 2.89 2.84 0.00 0.00 6.69 7.25 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 24 L 8.20 4.00 0.00 1.79 1.83 1.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.29 3.98 0.00 3.07 3.15 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 26 K 8.20 3.84 0.00 2.07 1.86 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.72 7.81 27 F 8.18 4.14 0.00 3.08 3.21 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 28 L 8.07 3.47 0.00 1.53 1.32 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.37 2.76 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 0.89 0.00 0.00 -0.01 0.00 0.00 30 N 8.00 4.25 0.00 2.72 2.79 0.00 0.00 7.10 7.57 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 31 E 7.71 4.12 0.00 1.57 1.80 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 2.28 2.24 0.00 32 Q 7.35 4.09 0.00 1.92 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.77 0.00 0.00 0.00 0.00 0.00 1.30 1.92 0.00 33 K 7.28 3.47 0.00 1.82 1.91 0.00 1.84 0.00 0.00 0.61 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.29 1.32 7.81 34 E 7.41 4.19 0.00 1.19 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 1.47 1.47 0.00 35 F 8.56 4.69 0.00 2.98 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 36 V 7.90 4.05 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 0.99 0.00 0.00 0.96 0.00 0.00 *38 S 7.96 4.34 0.00 3.92 3.95 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 39 K 8.00 3.96 0.00 2.04 1.93 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.49 7.81 40 Q 7.36 3.60 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.00 1.25 0.00 41 I 7.14 3.90 1.88 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 1.59 2.22 0.98 0.00 0.00 42 L 7.93 3.83 0.00 1.63 1.58 0.70 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.65 3.81 0.00 1.86 2.02 0.00 3.16 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 44 S 7.67 4.55 0.00 4.43 4.32 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 45 G 8.38 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 46 T 7.88 4.22 4.22 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 1.19 0.00 0.00 47 S 8.08 4.22 0.00 4.15 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 48 I 7.59 3.79 1.98 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 1.72 0.92 0.90 0.00 0.00 49 G 8.16 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.81 4.01 1.35 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 51 N 8.30 4.38 0.00 2.97 3.05 0.00 0.00 7.06 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 52 I 7.77 3.66 2.03 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 1.36 0.70 0.92 0.00 0.00 53 R 8.00 3.89 0.00 1.81 2.18 0.00 3.28 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 54 E 8.24 4.10 0.00 2.24 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 2.53 0.00 55 A 8.32 4.02 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 56 E 8.26 4.07 0.00 2.31 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 0.00 2.32 2.23 0.00 57 Q 7.62 4.41 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 58 A 7.56 4.14 1.48 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 59 Q 8.64 4.34 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 60 S 7.43 4.69 0.00 4.00 3.92 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 61 R 8.51 3.94 0.00 1.90 1.99 0.00 3.19 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.71 0.00 62 A 8.02 4.03 1.35 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 63 D 8.31 4.31 0.00 2.92 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 64 F 8.32 4.17 0.00 3.18 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 65 I 8.23 3.56 1.91 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 1.79 0.91 0.94 0.00 0.00 66 N 8.32 4.23 0.00 2.91 3.01 0.00 0.00 7.24 6.42 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 67 K 8.02 3.97 0.00 1.74 1.96 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.67 1.62 7.81 68 L 7.70 3.84 0.00 1.56 1.52 0.41 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.43 4.29 0.00 2.93 2.83 0.00 0.00 6.99 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 70 I 7.94 3.65 2.07 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 1.44 0.75 0.99 0.00 0.00 71 A 8.18 3.96 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 72 L 8.06 3.83 0.00 1.83 1.83 0.88 0.56 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 73 K 8.28 3.85 0.00 1.92 1.99 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.47 7.81 74 E 8.46 4.03 0.00 2.21 2.24 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 2.55 2.49 0.00 75 A 8.32 4.07 1.40 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 0.00 0.00 76 N 8.46 4.34 0.00 2.85 2.86 0.00 0.00 6.70 8.47 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 77 E 8.56 3.97 0.00 2.18 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 2.65 2.39 0.00 78 T 8.32 4.20 4.59 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 1.54 0.00 0.00 79 E 8.39 4.18 0.00 2.25 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 0.00 2.55 2.43 0.00 80 Y 8.03 4.09 0.00 2.88 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 81 W 8.27 4.21 0.00 3.66 3.22 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 82 L 8.64 4.20 0.00 2.04 2.00 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.47 3.98 0.00 2.15 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 2.26 2.29 0.00 84 L 7.83 3.94 0.00 1.99 1.74 0.49 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.45 4.28 0.00 2.00 1.89 1.04 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 86 I 8.08 3.77 1.74 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 1.14 1.06 0.54 0.00 0.00 87 R 8.02 3.96 0.00 2.01 1.97 0.00 3.21 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 88 T 7.90 4.38 4.45 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 1.34 0.00 0.00 89 E 7.91 3.73 0.00 1.99 1.98 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 2.19 2.20 0.00 90 Y 8.14 4.14 0.00 3.22 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 91 I 7.58 4.94 2.05 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 1.79 0.82 1.11 0.00 0.00 92 T 8.82 4.30 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 93 R 8.51 3.93 0.00 1.95 2.00 0.00 3.29 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.85 0.00 94 E 8.16 4.00 0.00 2.03 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 2.42 2.35 0.00 95 Q 8.17 3.98 0.00 2.39 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 96 Y 8.31 4.03 0.00 3.15 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 97 E 8.63 3.85 0.00 2.31 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 0.00 2.32 2.36 0.00 98 S 8.16 4.05 0.00 3.99 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 99 I 7.82 3.85 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 0.68 1.04 0.00 0.00 100 N 8.31 4.19 0.00 2.11 2.40 0.00 0.00 7.22 6.31 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 0.00 101 N 8.39 4.27 0.00 2.93 2.84 0.00 0.00 7.04 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 D 7.91 4.32 0.00 2.99 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 0.00 103 S 7.91 3.24 0.00 3.74 3.84 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 0.00 104 T 8.25 3.94 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 1.29 0.00 0.00 105 E 8.03 3.87 0.00 2.12 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 2.26 2.32 0.00 106 I 7.40 3.62 1.76 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 1.42 0.40 0.80 0.00 0.00 107 N 8.19 4.20 0.00 2.95 2.85 0.00 0.00 7.07 8.71 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 0.00 108 K 8.04 3.96 0.00 1.92 1.83 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.45 7.81 109 L 7.78 3.97 0.00 1.84 1.69 0.90 0.43 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 0.00 110 L 8.13 3.93 0.00 1.79 1.66 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.86 3.65 1.98 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 1.38 0.79 0.90 0.00 0.00 112 S 7.91 4.09 0.00 3.96 4.07 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 0.00 113 I 7.94 3.93 1.99 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 1.58 0.59 1.04 0.00 0.00 114 I 7.86 3.76 1.96 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 1.44 0.48 0.90 0.00 0.00 115 K 8.16 4.32 0.00 1.79 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.61 7.81 116 T 7.67 4.22 4.38 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 1.23 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.