NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4389 8.1933 115.2890 58.6154 64.5566 175.8962 7 T 3.7556 7.7795 116.8234 65.9829 68.1996 175.2240 8 K 3.9727 8.1533 120.3383 59.2605 32.6674 178.8008 9 K 3.9611 7.9888 119.4665 59.7589 32.1638 178.8961 10 T 4.1255 7.6937 117.1527 66.0824 68.3903 176.4595 11 Q 3.9285 8.2076 121.5622 59.1747 29.0886 178.1422 12 L 4.1533 8.0771 121.3113 58.2021 42.0871 179.0103 13 Q 4.0264 8.0659 117.8539 59.0113 28.5975 178.6977 14 L 4.1533 7.9942 119.9984 57.8005 41.5993 179.4913 15 E 3.9622 8.2751 118.6866 59.6677 29.3223 179.0962 16 H 4.1452 8.3409 116.4052 58.5489 28.6538 177.6049 17 L 3.9359 8.1214 122.2818 57.9306 41.9413 178.6124 18 L 3.9585 8.2003 120.5779 58.4406 42.0331 179.0922 19 L 4.0055 8.0287 118.7006 57.7290 41.3642 179.2362 20 D 4.3404 8.3181 119.0309 57.4618 40.7968 178.9137 21 L 4.0450 8.2045 119.6219 57.8784 41.6219 179.5900 22 Q 4.0287 8.2843 118.1299 59.0891 28.6058 178.4581 23 M 4.0692 8.2085 119.3448 58.4971 32.1129 178.4629 24 I 3.9011 7.5722 120.1738 64.3194 37.3023 178.0647 25 L 3.9225 7.9197 121.1390 58.3242 41.6928 178.7490 26 N 4.4064 8.5842 115.6213 56.1778 38.7580 177.3358 27 G 3.8670 8.1627 107.0836 47.9613 0.0000 175.8014 28 I 2.2715 7.7981 122.8363 63.6623 36.8698 178.3004 29 N 4.3850 8.0578 115.9968 55.6306 38.3931 176.1025 30 N 4.7448 7.5092 115.7042 52.6474 39.3081 175.0082 31 Y 4.6387 7.0393 118.6470 57.5611 38.7804 176.7353 32 K 4.2879 8.4485 121.2132 56.2015 34.2353 178.2052 33 N 4.3522 8.6874 119.5132 56.1711 38.5048 175.7549 34 P 4.2350 0.0000 0.0000 65.5592 31.4256 178.4816 35 K 3.8775 7.9739 117.6192 59.5304 32.2457 178.3920 36 L 4.1679 8.3530 120.9246 58.5322 41.7219 179.0561 37 T 3.8994 8.2430 115.4118 66.6058 68.6663 176.5645 38 R 3.9504 7.8297 119.7374 59.5250 30.1555 178.9525 39 M 4.3841 8.2443 118.4736 58.4329 31.7984 178.2632 40 L 4.3653 7.9252 117.0020 56.3226 41.9301 178.4732 41 T 4.0547 7.3527 109.3435 62.1064 69.4699 174.9725 42 F 4.4954 7.1167 121.0736 57.2813 39.6223 174.7072 43 K 4.4691 8.4572 124.4572 55.3676 33.2654 176.0304 44 F 4.7612 9.0454 123.0797 55.8178 42.4729 173.8288 45 Y 4.8946 9.1057 119.5008 57.0240 39.5165 175.1113 46 M 5.2395 8.8356 122.2958 52.7560 35.5752 173.6215 47 P 4.6879 0.0000 0.0000 62.3121 32.4117 176.5333 48 K 4.0917 8.9360 123.9781 58.7674 32.3784 177.1777 49 K 4.4148 7.6244 117.0994 54.5358 35.0520 175.4992 50 A 4.3531 8.2663 128.1956 51.1144 19.7538 175.4432 51 T 4.8354 8.7504 108.3577 61.7100 70.8478 173.9590 52 E 4.8611 8.2567 120.9072 53.6075 33.8534 176.0596 53 L 4.1810 8.7446 121.0193 58.2365 41.6944 180.0181 54 K 3.9764 7.9622 117.9197 60.2383 32.2406 178.2868 55 H 4.2589 8.0687 116.5607 57.4591 28.5074 177.0594 56 L 3.7804 8.2244 121.7589 56.7452 41.3444 178.6984 57 Q 4.0058 7.9940 120.1354 59.4745 28.6977 177.6571 58 C 4.4535 8.2037 116.8518 59.7178 36.6542 175.5250 59 L 3.6631 7.2287 121.5820 57.5922 41.6149 178.0583 60 E 3.8525 8.2593 119.7059 59.6486 29.3345 178.8736 61 E 4.1409 8.2371 116.6805 58.6817 29.9201 178.1181 62 E 4.5441 8.0851 117.0431 56.5050 29.8728 177.9310 63 L 4.1510 7.8635 121.2032 57.5468 41.5741 179.3393 64 K 3.9676 8.0424 118.3666 59.0062 32.0961 177.3434 65 P 4.1175 0.0000 0.0000 65.6912 30.9548 178.0529 66 L 4.2032 7.9426 119.6036 58.2210 41.9851 178.6128 67 E 3.9658 8.4240 119.3571 59.0796 29.4356 178.3617 68 E 3.8636 8.3487 119.5022 59.2400 29.7730 178.9143 69 V 3.2714 7.8412 118.3614 65.9379 31.5617 177.8819 70 L 3.9592 8.0691 118.6561 57.8929 41.2310 179.2237 71 N 4.2879 8.2143 115.5744 56.4631 38.5907 177.2443 72 L 4.0742 7.9868 119.0634 57.9569 41.6545 178.7226 73 A 3.9361 7.4935 120.8250 51.3929 18.6955 176.5532 74 Q 4.4707 7.9917 115.2498 54.4530 27.1859 176.8234 *77 N 4.4944 8.8801 132.6289 54.3192 38.7502 171.7691 78 F 5.0691 8.5897 128.0703 56.5757 41.3940 175.3496 79 H 4.6410 8.5020 122.0553 56.0618 28.9182 174.9212 80 L 4.7591 7.0416 122.1001 52.6554 45.6790 177.6472 81 R 4.2554 8.5432 123.8843 57.7307 31.1133 175.1136 82 P 4.7222 0.0000 0.0000 65.3880 31.4816 178.9730 83 R 4.3708 8.0528 115.3431 58.8706 29.0658 178.5366 84 D 4.2929 7.9360 118.8482 56.9943 41.1786 178.1188 85 L 3.9307 8.0417 120.8119 58.4938 42.1052 179.2198 86 I 3.8615 8.3568 119.9841 64.2542 36.9596 178.6009 87 S 4.1303 8.0867 116.2420 61.5760 62.6466 176.2302 88 N 4.3065 8.2232 119.7607 56.6727 38.6629 177.0634 89 I 3.7011 7.6793 120.8826 64.2403 37.1466 177.7639 90 N 4.2295 8.6413 118.2448 56.7185 38.7845 176.9072 91 V 3.5630 7.8847 119.4461 66.1775 31.6615 178.0349 92 I 3.7024 7.5427 118.9733 64.3660 37.0649 178.6242 93 V 3.5643 7.9360 119.1138 66.0329 29.8346 178.0968 94 L 4.0235 8.1217 118.8208 57.8016 41.2304 179.1768 95 E 4.2437 8.1233 117.2418 58.3870 29.5183 178.7633 96 L 4.2719 7.6239 118.8610 57.0495 42.2063 178.5876 97 K 4.2203 7.9471 115.4665 56.7951 32.9441 178.4608 98 G 3.7981 7.2225 107.4988 47.2002 0.0000 173.4126 *103 F 4.3194 7.7014 119.5490 57.4856 40.1199 173.6923 104 M 4.2865 7.6897 127.4669 53.1426 33.0812 176.1495 105 C 3.9974 8.6414 123.9016 57.4625 42.5531 172.2969 106 E 4.5759 8.6842 126.5466 54.9777 30.9125 174.0179 107 Y 5.2758 8.5992 124.2173 56.3732 40.0054 175.6634 108 A 4.3914 9.2188 125.6373 51.8729 19.4434 177.9709 109 D 4.5708 8.7035 119.9962 57.3241 41.1786 177.6300 110 E 4.1654 8.0249 118.1603 56.1704 30.0862 176.6893 111 T 4.4353 8.1660 113.7520 60.9864 70.8702 172.9920 112 A 5.0423 8.6756 122.3562 50.3254 23.4126 175.7921 113 T 4.6440 9.3165 110.5125 61.0405 70.4042 175.8062 114 I 3.0582 8.6132 120.8227 63.8434 37.7966 177.9259 115 V 3.5974 7.7283 118.7961 66.0952 31.5154 177.7641 116 E 4.0012 8.1719 118.2109 59.1933 29.3492 179.1143 117 F 4.2198 8.4933 120.8377 61.3235 39.4268 177.2138 118 L 3.8932 8.1133 118.5026 57.8113 41.4254 179.0359 119 N 4.2694 8.2145 116.4236 56.4944 38.5193 177.2845 120 R 3.7330 7.9675 119.7751 59.3493 30.1046 178.5884 121 W 4.2914 7.8004 118.2060 59.3603 29.0275 178.8322 122 I 3.8039 8.2446 120.5988 64.6743 36.4810 178.4953 123 T 3.8705 8.3581 117.0602 66.4179 68.2307 176.2628 124 F 4.1088 8.3411 122.6009 61.6183 39.3339 176.9702 125 C 3.9414 8.2702 116.0074 63.0122 28.0592 176.0689 126 Q 3.9717 8.0694 119.4662 59.1199 28.0454 179.3174 127 S 4.0419 7.9169 115.1373 61.7311 63.1976 176.5895 128 I 3.7289 7.3813 122.4401 64.1461 36.7844 178.3810 129 I 3.6557 7.9631 121.1623 64.6427 36.7822 178.4232 130 S 4.2810 7.8203 113.9472 60.5136 62.7187 175.6431 131 T 4.3072 7.5624 111.1192 61.9734 69.2154 174.9837 132 L 4.5764 7.4422 120.2078 54.6723 43.1133 176.5527 133 T 4.0191 7.8985 120.4336 63.9484 68.3168 173.8111 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 S 8.19 4.44 0.00 3.87 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 7 T 7.78 3.76 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 1.20 0.00 0.00 8 K 8.15 3.97 0.00 1.76 1.85 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.43 7.81 9 K 7.99 3.96 0.00 1.81 1.97 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.53 7.81 10 T 7.69 4.13 4.41 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 1.20 0.00 0.00 11 Q 8.21 3.93 0.00 2.21 2.22 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 2.46 2.34 0.00 12 L 8.08 4.15 0.00 1.93 1.83 1.01 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.07 4.03 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 14 L 7.99 4.15 0.00 1.87 1.70 0.86 0.98 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 15 E 8.28 3.96 0.00 2.15 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 2.30 2.60 0.00 16 H 8.34 4.15 0.00 3.33 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.12 3.94 0.00 1.79 1.89 0.90 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.20 3.96 0.00 1.86 1.92 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.03 4.01 0.00 1.71 1.67 0.84 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.32 4.34 0.00 2.88 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 21 L 8.20 4.05 0.00 1.84 1.74 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.28 4.03 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 23 M 8.21 4.07 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.28 0.00 24 I 7.57 3.90 2.08 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 1.60 0.83 1.03 0.00 0.00 25 L 7.92 3.92 0.00 1.78 1.81 0.91 0.69 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 26 N 8.58 4.41 0.00 2.71 2.87 0.00 0.00 7.05 7.53 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 27 G 8.16 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 28 I 7.80 2.27 1.84 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 1.22 0.81 0.77 0.00 0.00 29 N 8.06 4.39 0.00 2.82 2.87 0.00 0.00 7.06 7.95 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 30 N 7.51 4.74 0.00 2.90 2.92 0.00 0.00 7.01 7.49 0.00 0.00 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 Y 7.04 4.64 0.00 3.04 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 32 K 8.45 4.29 0.00 1.82 1.75 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.57 7.81 33 N 8.69 4.35 0.00 2.75 2.89 0.00 0.00 6.90 8.03 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 34 P 0.00 4.24 0.00 2.15 2.11 0.00 3.55 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 35 K 7.97 3.88 0.00 1.76 1.98 0.00 1.48 0.00 0.00 1.12 0.00 0.00 2.13 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.29 1.34 7.81 36 L 8.35 4.17 0.00 2.05 1.89 1.07 0.93 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 37 T 8.24 3.90 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 1.19 0.00 0.00 38 R 7.83 3.95 0.00 1.96 1.90 0.00 3.11 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 39 M 8.24 4.38 0.00 2.30 2.44 0.00 0.00 0.00 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 3.09 0.00 40 L 7.93 4.37 0.00 1.77 1.74 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.35 4.05 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 1.16 0.00 0.00 42 F 7.12 4.50 0.00 3.20 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 43 K 8.46 4.47 0.00 1.50 1.41 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.41 7.81 44 F 9.05 4.76 0.00 2.95 2.57 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 0.00 0.00 0.00 0.00 45 Y 9.11 4.89 0.00 2.68 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 46 M 8.84 5.24 0.00 1.97 2.06 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 2.68 2.62 0.00 47 P 0.00 4.69 0.00 2.17 2.06 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.14 0.00 48 K 8.94 4.09 0.00 1.73 1.88 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.40 7.81 49 K 7.62 4.41 0.00 1.66 1.53 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.23 1.39 7.81 50 A 8.27 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.75 4.84 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 1.25 0.00 0.00 52 E 8.26 4.86 0.00 1.76 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 2.29 2.33 0.00 53 L 8.74 4.18 0.00 1.69 1.89 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.96 3.98 0.00 1.66 1.88 0.00 1.09 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.99 0.50 7.81 55 H 8.07 4.26 0.00 3.33 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.22 3.78 0.00 1.75 1.59 1.03 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 7.99 4.01 0.00 2.32 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.53 2.66 0.00 58 C 8.20 4.45 0.00 3.52 3.44 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 0.00 59 L 7.23 3.66 0.00 0.27 0.89 0.25 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.26 3.85 0.00 2.00 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 0.00 2.32 2.36 0.00 61 E 8.24 4.14 0.00 2.25 2.13 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 2.42 2.58 0.00 62 E 8.09 4.54 0.00 2.49 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 2.64 3.10 0.00 63 L 7.86 4.15 0.00 1.84 1.75 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.04 3.97 0.00 1.79 1.83 0.00 1.67 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.50 7.81 65 P 0.00 4.12 0.00 1.91 2.11 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.94 0.00 66 L 7.94 4.20 0.00 2.10 2.03 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.42 3.97 0.00 2.11 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 2.44 2.35 0.00 68 E 8.35 3.86 0.00 2.04 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 2.18 2.18 0.00 69 V 7.84 3.27 2.31 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 1.11 0.00 0.00 0.58 0.00 0.00 70 L 8.07 3.96 0.00 1.88 1.58 1.05 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.21 4.29 0.00 2.86 2.85 0.00 0.00 7.11 7.47 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 72 L 7.99 4.07 0.00 1.69 1.71 0.68 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.49 3.94 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 0.00 0.00 0.00 0.00 0.00 74 Q 7.99 4.47 0.00 1.99 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.56 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 *77 N 8.88 4.49 0.00 2.79 2.92 0.00 0.00 6.61 7.02 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 78 F 8.59 5.07 0.00 3.07 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 79 H 8.50 4.64 0.00 3.27 3.34 0.00 5.52 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.04 4.76 0.00 1.37 1.50 0.85 0.80 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 81 R 8.54 4.26 0.00 1.81 1.81 0.00 3.28 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 82 P 0.00 4.72 0.00 2.19 2.20 0.00 3.66 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 83 R 8.05 4.37 0.00 2.12 2.23 0.00 3.14 0.00 0.00 3.32 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 84 D 7.94 4.29 0.00 2.90 2.76 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 0.00 0.00 0.00 85 L 8.04 3.93 0.00 1.80 1.92 0.88 0.58 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 86 I 8.36 3.86 1.91 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 1.83 0.89 0.95 0.00 0.00 87 S 8.09 4.13 0.00 4.14 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 88 N 8.22 4.31 0.00 2.85 2.95 0.00 0.00 7.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.68 3.70 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.54 0.88 0.00 0.00 90 N 8.64 4.23 0.00 2.94 2.93 0.00 0.00 6.88 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.88 3.56 2.21 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 0.97 0.00 0.00 0.95 0.00 0.00 92 I 7.54 3.70 1.98 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 1.40 0.85 0.98 0.00 0.00 93 V 7.94 3.56 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 0.94 0.00 0.00 0.84 0.00 0.00 94 L 8.12 4.02 0.00 1.87 1.70 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.12 4.24 0.00 1.95 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 96 L 7.62 4.27 0.00 1.73 1.75 0.96 0.93 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 97 K 7.95 4.22 0.00 1.91 2.05 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.38 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.63 7.81 98 G 7.22 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 *103 F 7.70 4.32 0.00 3.04 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 0.00 104 M 7.69 4.29 0.00 1.88 1.77 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 105 C 8.64 4.00 0.00 3.02 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 0.00 106 E 8.68 4.58 0.00 2.00 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 2.30 2.29 0.00 107 Y 8.60 5.28 0.00 2.98 3.01 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 0.00 108 A 9.22 4.39 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 0.00 109 D 8.70 4.57 0.00 2.72 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 0.00 110 E 8.02 4.17 0.00 1.98 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 0.00 2.33 2.25 0.00 111 T 8.17 4.44 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 0.59 0.00 0.00 112 A 8.68 5.04 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 0.00 113 T 9.32 4.64 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 1.30 0.00 0.00 114 I 8.61 3.06 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.77 1.00 0.00 0.00 115 V 7.73 3.60 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 1.03 0.00 0.00 0.95 0.00 0.00 116 E 8.17 4.00 0.00 2.16 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 0.00 2.35 2.36 0.00 117 F 8.49 4.22 0.00 3.17 3.10 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 0.00 118 L 8.11 3.89 0.00 1.91 1.72 0.95 0.53 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 0.00 119 N 8.21 4.27 0.00 2.93 2.86 0.00 0.00 6.70 7.28 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 0.00 120 R 7.97 3.73 0.00 1.84 1.74 0.00 2.93 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.98 0.00 121 W 7.80 4.29 0.00 3.20 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 0.00 122 I 8.24 3.80 2.10 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 1.55 1.02 0.92 0.00 0.00 123 T 8.36 3.87 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 1.18 0.00 0.00 124 F 8.34 4.11 0.00 2.96 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.27 3.94 0.00 3.23 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 0.00 126 Q 8.07 3.97 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.65 0.00 127 S 7.92 4.04 0.00 3.89 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 0.00 128 I 7.38 3.73 1.53 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.25 0.77 0.00 0.00 129 I 7.96 3.66 2.00 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 1.48 1.00 0.88 0.00 0.00 130 S 7.82 4.28 0.00 3.97 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 0.00 131 T 7.56 4.31 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 0.00 132 L 7.44 4.58 0.00 1.71 1.69 0.88 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 133 T 7.90 4.02 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 * Residues marked with a * may have inaccurate shift predictions.