NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *13 K 4.1162 8.3101 122.1404 54.5758 33.9125 175.1381 *15 A 4.2331 8.0594 122.5936 51.5293 20.2914 176.0670 16 I 4.5391 7.6140 116.9792 60.4671 37.3681 175.3283 17 L 4.9596 8.8862 127.0142 52.4572 46.0927 176.0549 18 K 3.9729 8.6326 124.2787 56.1992 32.0666 176.0922 19 L 3.9715 8.5029 129.5511 56.0221 43.3073 174.8985 20 D 4.5305 7.2638 115.7928 52.5563 44.3724 174.7721 21 E 3.7090 8.7361 121.4552 59.2585 29.4145 177.4450 22 H 4.9070 7.8705 112.9492 54.9577 31.0029 172.8541 23 L 5.1413 7.9595 121.1086 53.8643 44.8719 174.8956 24 Y 5.1386 9.4622 125.1051 56.7079 40.4083 174.8715 25 I 5.7114 8.5762 115.0151 58.8061 41.6586 173.9459 26 S 5.2553 8.5318 115.1653 57.1870 65.8377 171.9912 27 P 5.0312 0.0000 0.0000 61.9933 32.6013 175.1806 28 Q 4.2112 8.3505 120.7185 57.0291 28.9790 177.0136 29 L 4.3069 7.8050 126.1383 54.6243 42.7047 175.7934 30 T 4.8339 8.7544 110.9574 58.7407 72.3311 174.8152 31 K 3.2438 7.9608 121.1889 59.2731 31.5066 178.1089 32 A 3.9952 7.0569 119.1986 54.2387 18.5567 178.3737 33 D 4.4433 7.9951 116.4293 55.2097 41.0184 178.1173 34 A 3.9780 7.6986 122.3070 55.1413 18.3412 179.2517 35 E 3.7944 7.9792 117.0747 59.5881 29.8771 178.7413 36 Q 3.9485 7.9422 119.0615 59.1011 29.0120 177.9988 37 I 3.6051 7.8850 120.8011 64.1805 37.1137 178.2282 38 A 4.1810 8.1585 123.1990 54.6709 17.9829 179.4332 39 Q 3.8997 7.8852 117.0457 59.2679 29.2424 178.0845 40 L 4.1654 7.9189 118.0337 54.7945 41.8189 177.1650 41 G 3.8732 7.8216 106.7925 46.1106 0.0000 174.1891 42 I 3.7266 7.3001 120.4637 61.6040 37.5863 176.3547 43 K 4.4935 8.9540 123.4386 56.9105 34.6919 176.3008 44 T 4.9038 7.6886 115.9724 61.6695 72.9816 172.7314 45 I 5.0754 8.4775 126.6005 59.5870 40.2657 174.4625 46 I 5.0014 8.9620 127.9319 59.7065 40.0239 173.9644 47 C 4.1676 9.0896 128.2573 57.5470 33.2901 173.2456 48 N 5.6851 8.7964 123.3239 52.2695 39.6894 173.7881 49 R 4.8550 7.5352 119.5231 53.5926 31.9854 174.0536 50 P 4.3886 0.0000 0.0000 62.5406 32.0424 176.0407 51 D 4.5131 8.4711 121.3198 55.9355 41.2759 176.2055 52 R 4.0156 8.6490 118.5787 57.5789 27.0078 177.8903 53 E 4.2027 8.5797 120.2105 58.7015 30.0923 177.2945 54 E 4.8018 8.1450 118.5301 54.8156 33.6380 176.8924 55 E 4.1001 8.8237 117.3420 58.9359 29.9788 179.5153 56 S 4.3542 7.9746 111.2479 59.8470 63.5891 173.9127 57 Q 4.2094 7.6682 123.6737 54.7915 29.0456 173.6920 58 P 4.4576 0.0000 0.0000 62.2829 32.4754 176.5984 59 D 4.7083 8.4125 120.5890 54.1658 42.7510 177.2816 60 F 4.1460 9.2683 124.1691 61.8473 39.3230 177.6255 61 A 3.6733 8.0359 119.5271 55.0607 18.0110 179.2548 62 Q 3.3618 7.5732 117.5169 58.8380 29.0932 177.9137 63 I 3.6711 7.1822 120.7733 64.2457 37.1952 178.0899 64 K 3.0716 7.6393 120.5577 59.3045 31.5828 178.4639 65 Q 3.8050 7.2398 116.6519 58.9546 28.7588 178.9437 66 W 4.5818 8.0635 119.7702 59.6018 29.0792 178.0125 67 L 4.3436 8.2873 117.3469 55.6577 41.3135 178.6412 68 E 4.1778 8.2233 118.3652 59.2903 29.4892 177.8817 69 Q 4.2420 7.6922 114.9127 56.5666 29.0752 176.0553 70 A 4.5456 8.6340 121.4898 51.7664 19.2506 178.2421 71 G 4.0671 8.3882 105.4369 45.9451 0.0000 174.1990 72 V 3.9516 7.4917 119.8294 62.6021 32.1356 175.3333 73 T 4.5845 8.5104 116.6891 61.3694 70.9468 174.5089 74 G 4.2346 7.6849 109.2247 44.2483 0.0000 172.1146 75 F 5.4592 8.6600 121.3372 56.0013 42.9727 173.8493 76 H 4.9543 9.7559 120.2522 54.3238 32.7568 171.8506 77 H 4.4424 8.6225 123.3571 54.2668 30.4803 174.3925 78 Q 4.7102 8.6666 129.7307 53.6533 28.2411 172.4007 79 P 4.7166 0.0000 0.0000 62.8614 32.6114 177.4146 80 V 4.7083 8.3385 115.2982 60.1621 36.5078 174.4053 81 T 4.6076 8.2227 110.5821 59.4938 71.2296 175.0056 82 A 3.9335 8.7262 126.6912 55.5457 18.6112 180.0700 83 R 4.0429 8.2562 116.8098 59.6688 30.2643 177.3224 84 D 4.7497 7.7016 113.8549 52.6080 40.3707 179.4602 85 I 3.8536 7.1735 118.9822 63.0325 37.6846 175.8633 86 Q 4.5189 8.9288 123.2491 52.9783 33.4739 176.4374 87 K 3.7926 8.3710 121.1202 60.0937 31.8661 178.1991 88 H 4.2577 8.0439 114.9374 58.4412 28.5481 177.2420 89 D 4.2935 7.6602 121.3420 57.0879 40.6923 178.4959 90 V 3.6505 7.6205 118.5428 66.3398 31.5405 178.0541 91 E 4.0663 8.4956 118.3358 59.4718 29.1821 179.3953 92 T 3.8998 8.2925 116.3249 66.5497 68.5304 176.3446 93 F 4.1534 8.5056 122.5656 61.2346 39.3698 176.8717 94 R 3.9127 8.2771 118.3550 59.8885 29.9219 178.4747 95 Q 3.9873 8.5281 117.9660 58.8233 28.4201 178.8792 96 L 3.8816 7.8666 119.3808 57.7870 41.9555 179.2908 97 I 3.9536 7.7140 119.8662 64.3820 36.8285 178.7322 98 G 3.7963 8.2373 105.5747 47.2051 0.0000 174.6275 99 Q 4.4213 7.6281 116.3505 54.6568 29.5388 175.6347 100 A 4.3312 6.8973 123.4304 50.9042 19.7660 177.3574 101 E 3.8118 8.2636 119.2738 56.3984 30.2216 176.5092 102 Y 4.9832 7.7819 119.9095 55.7951 40.2434 173.8243 103 P 4.9375 0.0000 0.0000 62.8599 33.5764 174.8230 104 V 4.7848 9.0554 121.1223 61.3888 33.9123 174.1709 105 L 5.3881 9.2060 129.2199 53.3936 44.5394 174.6360 106 A 5.5950 9.2531 128.9357 50.5921 21.7329 174.9112 107 Y 5.7144 9.1943 118.6334 54.8473 41.9323 173.8559 108 C 4.3219 8.4397 115.1438 57.6636 32.4247 173.8431 109 R 4.3149 9.1524 115.8215 59.4840 30.3045 179.4591 110 T 4.5212 8.3103 104.8525 60.5523 70.5587 174.6776 111 G 4.0288 8.3767 110.8367 45.7653 0.0000 175.4491 112 T 3.7835 8.0879 117.0203 66.8082 68.3504 176.5960 113 R 3.7408 7.8274 119.2959 59.2970 30.1241 178.6441 114 C 3.7181 7.9240 115.9516 63.0121 28.1546 176.2986 115 S 4.1168 8.0514 116.5193 61.4930 62.3294 176.8547 116 L 3.5574 7.9113 121.8664 57.5085 40.8172 179.4706 117 L 4.0011 7.8311 119.1776 57.3954 41.4241 179.3775 118 W 4.2612 8.2493 128.4333 60.6111 30.7385 178.3548 119 G 3.3442 8.6252 106.1253 47.7038 0.0000 175.6738 120 F 4.3652 8.2816 120.5787 60.3206 38.8602 177.7995 121 R 3.9012 7.5708 118.1555 59.3091 29.6851 178.6318 122 R 3.6229 7.2754 116.6960 58.9614 30.2345 178.6123 123 A 4.0492 7.9886 120.2124 55.1943 18.2349 179.3655 124 A 4.0596 7.6589 117.8361 55.5397 18.5192 179.2487 125 E 4.3006 7.9239 114.7831 56.2944 29.6953 177.7195 126 G 3.7882 7.5632 107.4341 45.6542 0.0000 172.0186 *128 P 4.1880 0.0000 0.0000 61.4992 33.8715 177.7561 129 V 3.5927 8.1731 120.0904 66.4371 31.4924 178.2015 130 D 4.3614 8.1213 118.0724 57.3712 40.6107 178.3389 131 E 3.9648 8.1253 119.3977 59.0568 29.7079 178.4259 132 I 3.8764 7.9102 120.0280 64.8180 37.2452 178.4016 133 I 3.7554 8.0403 120.4637 64.2741 36.9214 178.4928 134 R 3.8995 8.2486 119.6639 59.6145 29.6332 178.8795 135 R 3.9196 8.5716 118.0633 59.1748 30.0987 178.9159 136 A 3.8061 8.2861 120.7595 55.0807 18.3017 179.4786 137 Q 4.1582 8.5957 119.3254 58.7051 28.9009 178.2694 138 A 4.0262 8.0116 120.6805 54.0948 18.3156 178.3164 139 A 4.5511 7.2373 117.6097 51.7138 19.3975 177.6117 140 G 3.8322 8.1886 106.7519 46.6109 0.0000 174.0041 141 V 4.2520 7.9043 119.1069 60.5751 33.8829 173.8886 142 N 4.8847 8.8486 125.9171 52.6891 39.3665 174.0201 143 L 4.9003 8.3562 124.5907 54.5785 42.6075 178.0005 144 E 3.9339 8.7649 123.4881 59.4158 29.5567 178.3100 145 N 4.4829 8.0834 113.2983 54.5194 38.8087 175.1641 146 F 4.8318 8.2194 117.1212 57.0765 39.9664 177.0281 147 R 3.9360 8.0741 123.2230 59.8068 29.7178 178.3397 148 E 3.9967 8.2028 117.5406 59.6711 29.3140 179.5021 149 R 4.1005 8.0554 116.2390 59.2037 30.6169 178.6464 150 L 4.3225 8.3449 118.9634 57.8950 41.6683 178.9988 151 D 4.3775 8.4888 118.2644 57.5379 40.9903 178.0354 152 N 4.4755 8.2435 115.1084 55.4803 38.5991 176.4235 153 A 4.2649 7.6455 120.2116 53.2214 18.8244 178.8522 154 R 3.9799 7.8395 119.1404 59.6495 30.4499 177.9003 *155 V 3.9215 7.6167 117.5543 60.9532 32.3226 176.8195 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 *13 K 8.31 4.12 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.51 7.81 *15 A 8.06 4.23 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.61 4.54 1.85 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 1.34 0.58 0.86 0.00 0.00 17 L 8.89 4.96 0.00 1.68 1.48 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.63 3.97 0.00 1.35 1.48 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.72 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.14 0.76 7.81 19 L 8.50 3.97 0.00 1.21 1.21 0.01 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.26 4.53 0.00 2.70 2.50 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 0.00 0.00 0.00 21 E 8.74 3.71 0.00 1.81 1.76 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 1.52 2.11 0.00 22 H 7.87 4.91 0.00 2.56 2.61 0.00 5.61 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.96 5.14 0.00 1.73 1.38 1.01 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 9.46 5.14 0.00 2.92 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 25 I 8.58 5.71 1.91 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.05 0.90 0.00 0.00 26 S 8.53 5.26 0.00 3.95 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 27 P 0.00 5.03 0.00 2.15 2.17 0.00 3.88 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 28 Q 8.35 4.21 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 29 L 7.81 4.31 0.00 1.07 1.37 0.69 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.75 4.83 4.15 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 1.21 0.00 0.00 31 K 7.96 3.24 0.00 0.79 1.01 0.00 0.75 0.00 0.00 1.26 0.00 0.00 2.68 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.81 0.21 7.81 32 A 7.06 4.00 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 D 8.00 4.44 0.00 2.79 2.65 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 34 A 7.70 3.98 1.34 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 0.00 0.00 35 E 7.98 3.79 0.00 2.00 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 2.34 2.33 0.00 36 Q 7.94 3.95 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.68 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 37 I 7.88 3.61 2.05 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.00 0.88 0.00 0.00 38 A 8.16 4.18 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 7.89 3.90 0.00 2.04 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 40 L 7.92 4.17 0.00 1.56 1.34 0.50 0.64 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 41 G 7.82 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 42 I 7.30 3.73 1.80 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.70 0.89 0.00 0.00 43 K 8.95 4.49 0.00 1.65 1.78 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.56 1.53 7.81 44 T 7.69 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 1.23 0.00 0.00 45 I 8.48 5.08 1.84 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.16 1.34 0.00 0.00 46 I 8.96 5.00 2.04 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.79 1.09 0.00 0.00 47 C 9.09 4.17 0.00 2.98 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.80 5.69 0.00 2.65 2.69 0.00 0.00 6.31 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 49 R 7.54 4.86 0.00 1.76 1.81 0.00 3.44 0.00 0.00 3.42 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 50 P 0.00 4.39 0.00 2.10 1.98 0.00 3.91 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 51 D 8.47 4.51 0.00 2.73 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 52 R 8.65 4.02 0.00 2.01 2.11 0.00 3.39 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 53 E 8.58 4.20 0.00 2.17 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 0.00 2.37 2.50 0.00 54 E 8.15 4.80 0.00 2.00 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 2.32 2.32 0.00 55 E 8.82 4.10 0.00 1.99 1.87 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 2.23 1.87 0.00 56 S 7.97 4.35 0.00 4.01 4.05 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 57 Q 7.67 4.21 0.00 2.14 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.89 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 58 P 0.00 4.46 0.00 2.12 2.14 0.00 3.94 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.27 0.00 59 D 8.41 4.71 0.00 2.65 2.65 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 60 F 9.27 4.15 0.00 2.81 2.94 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 61 A 8.04 3.67 1.24 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 0.00 0.00 0.00 62 Q 7.57 3.36 0.00 1.74 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 1.47 1.16 0.00 63 I 7.18 3.67 1.97 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.84 1.00 0.00 0.00 64 K 7.64 3.07 0.00 0.79 1.25 0.00 1.12 0.00 0.00 1.22 0.00 0.00 2.75 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.63 0.21 7.81 65 Q 7.24 3.81 0.00 1.85 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 66 W 8.06 4.58 0.00 3.53 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 67 L 8.29 4.34 0.00 2.01 1.88 1.03 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.22 4.18 0.00 1.94 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 0.00 2.43 2.08 0.00 69 Q 7.69 4.24 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.13 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 70 A 8.63 4.55 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 71 G 8.39 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 0.00 0.00 0.00 72 V 7.49 3.95 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 0.14 0.00 0.00 1.01 0.00 0.00 73 T 8.51 4.58 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 74 G 7.68 4.23 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 0.00 0.00 0.00 75 F 8.66 5.46 0.00 2.94 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 76 H 9.76 4.95 0.00 3.08 3.16 0.00 5.59 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.62 4.44 0.00 1.40 2.67 0.00 5.69 0.00 0.00 0.00 0.00 6.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.67 4.71 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 79 P 0.00 4.72 0.00 2.03 1.89 0.00 3.65 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.73 0.00 80 V 8.34 4.71 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 0.73 0.00 0.00 0.92 0.00 0.00 81 T 8.22 4.61 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 1.22 0.00 0.00 82 A 8.73 3.93 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 83 R 8.26 4.04 0.00 1.86 2.02 0.00 3.27 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 84 D 7.70 4.75 0.00 2.76 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 85 I 7.17 3.85 1.94 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 1.27 1.18 0.91 0.00 0.00 86 Q 8.93 4.52 0.00 1.79 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.75 0.00 0.00 0.00 0.00 0.00 2.18 2.44 0.00 87 K 8.37 3.79 0.00 1.70 1.76 0.00 1.67 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.46 7.81 88 H 8.04 4.26 0.00 3.38 3.52 0.00 5.52 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 D 7.66 4.29 0.00 2.77 2.71 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 90 V 7.62 3.65 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 1.14 0.00 0.00 1.03 0.00 0.00 91 E 8.50 4.07 0.00 2.04 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 2.51 2.50 0.00 92 T 8.29 3.90 4.44 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 1.25 0.00 0.00 93 F 8.51 4.15 0.00 3.28 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 94 R 8.28 3.91 0.00 2.13 2.18 0.00 3.16 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 95 Q 8.53 3.99 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 96 L 7.87 3.88 0.00 1.60 1.56 0.92 0.66 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 97 I 7.71 3.95 1.77 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.20 0.98 0.00 0.00 98 G 8.24 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 7.63 4.42 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 100 A 6.90 4.33 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 0.00 101 E 8.26 3.81 0.00 1.88 1.79 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 2.22 2.20 0.00 102 Y 7.78 4.98 0.00 2.92 2.75 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 0.00 0.00 0.00 103 P 0.00 4.94 0.00 2.43 2.42 0.00 3.94 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 2.16 2.15 0.00 104 V 9.06 4.78 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 0.95 0.00 0.00 1.14 0.00 0.00 105 L 9.21 5.39 0.00 1.76 1.55 1.07 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 0.00 106 A 9.25 5.60 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.19 5.71 0.00 3.28 3.03 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 0.00 108 C 8.44 4.32 0.00 2.92 2.81 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 0.00 0.00 0.00 109 R 9.15 4.31 0.00 1.98 2.02 0.00 3.16 0.00 0.00 3.43 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 110 T 8.31 4.52 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 1.25 0.00 0.00 111 G 8.38 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 0.00 0.00 0.00 112 T 8.09 3.78 4.23 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 1.13 0.00 0.00 113 R 7.83 3.74 0.00 1.78 1.86 0.00 3.31 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 114 C 7.92 3.72 0.00 3.07 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 0.00 115 S 8.05 4.12 0.00 3.93 3.86 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 0.00 116 L 7.91 3.56 0.00 1.56 1.33 -0.06 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 117 L 7.83 4.00 0.00 0.77 1.10 0.47 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 118 W 8.25 4.26 0.00 3.57 3.40 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 0.00 119 G 8.63 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 0.00 0.00 0.00 120 F 8.28 4.37 0.00 3.00 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 0.00 121 R 7.57 3.90 0.00 1.84 2.01 0.00 3.13 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 122 R 7.28 3.62 0.00 1.44 1.55 0.00 2.53 0.00 0.00 2.75 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 123 A 7.99 4.05 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 7.66 4.06 1.37 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 0.00 0.00 0.00 125 E 7.92 4.30 0.00 2.03 1.96 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 2.30 2.40 0.00 126 G 7.56 3.79 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 0.00 0.00 0.00 *128 P 0.00 4.19 0.00 2.20 2.02 0.00 3.75 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 2.01 2.14 0.00 129 V 8.17 3.59 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 1.17 0.00 0.00 0.97 0.00 0.00 130 D 8.12 4.36 0.00 2.74 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 0.00 131 E 8.13 3.96 0.00 2.05 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 2.45 2.44 0.00 132 I 7.91 3.88 2.05 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 1.36 0.54 1.00 0.00 0.00 133 I 8.04 3.76 2.04 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 1.45 0.82 0.94 0.00 0.00 134 R 8.25 3.90 0.00 1.98 2.12 0.00 3.10 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 135 R 8.57 3.92 0.00 2.30 1.95 0.00 3.49 0.00 0.00 3.49 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 136 A 8.29 3.81 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 0.00 137 Q 8.60 4.16 0.00 2.32 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 138 A 8.01 4.03 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.24 4.55 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.19 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 0.00 141 V 7.90 4.25 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 0.95 0.00 0.00 0.93 0.00 0.00 142 N 8.85 4.88 0.00 2.80 2.75 0.00 0.00 7.10 7.78 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 0.00 143 L 8.36 4.90 0.00 1.79 1.72 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.76 3.93 0.00 2.16 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 2.31 2.33 0.00 145 N 8.08 4.48 0.00 2.32 2.39 0.00 0.00 6.73 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 0.00 146 F 8.22 4.83 0.00 3.15 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 0.00 147 R 8.07 3.94 0.00 1.99 1.96 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 148 E 8.20 4.00 0.00 2.09 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 2.42 2.42 0.00 149 R 8.06 4.10 0.00 2.25 2.38 0.00 3.38 0.00 0.00 3.58 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.87 0.00 150 L 8.34 4.32 0.00 1.88 1.72 0.90 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 151 D 8.49 4.38 0.00 2.80 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 0.00 152 N 8.24 4.48 0.00 2.93 2.88 0.00 0.00 7.05 6.66 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 0.00 153 A 7.65 4.26 1.51 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 0.00 0.00 154 R 7.84 3.98 0.00 2.18 2.00 0.00 3.31 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.44 0.00 *155 V 7.62 3.92 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 0.66 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.