NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6258 8.4249 118.0612 53.5574 39.9885 173.2324 3 Y 4.7159 7.8836 116.2178 53.9133 41.9753 172.7309 4 P 4.3137 0.0000 0.0000 63.0193 32.7766 175.6922 5 V 3.8766 8.1663 120.9260 61.5169 32.1569 174.9261 6 N 4.3509 8.7248 126.2309 53.1905 38.7718 173.4565 7 P 4.3088 0.0000 0.0000 65.3692 31.8027 177.3097 8 D 4.5477 8.6197 117.5071 55.8867 41.3205 178.7223 9 L 3.8418 7.9370 116.6224 55.3794 41.1123 176.9666 *11 P 4.2728 0.0000 0.0000 62.5525 33.2630 177.9434 12 A 4.0586 8.0083 120.9797 55.1566 18.5922 179.5198 13 L 3.7874 7.9804 115.0527 55.5879 41.6942 178.3792 *15 A 4.2924 8.0853 122.0631 51.7149 20.6523 180.0932 16 V 3.6040 7.3912 115.1319 66.0284 31.5015 178.1435 17 F 4.5964 8.0720 117.4837 60.9335 38.7640 177.4040 18 Q 4.0482 8.3139 116.9309 59.6266 28.4614 178.7282 19 H 4.0887 8.3906 118.8383 59.0314 29.7581 177.5325 20 V 3.5972 7.8604 120.2768 65.7083 31.3696 178.0391 21 R 3.8503 8.4628 118.8405 59.7926 30.1034 178.4770 22 T 3.8286 8.0682 115.7055 66.7484 68.4262 176.5835 23 R 3.8732 7.6833 120.5379 59.2220 30.0081 178.5654 24 I 3.6318 7.8584 119.6378 64.6768 37.1926 178.4188 25 Q 3.9618 8.3518 119.0879 58.8812 28.4655 178.9930 26 S 4.0635 7.9185 113.7742 61.6601 62.5067 176.2503 27 E 4.0447 8.1601 121.0980 59.1478 29.0914 179.2757 28 L 4.0240 8.2207 119.5327 57.7715 41.5479 179.3513 29 D 4.3124 8.2798 118.8539 57.6499 40.6494 178.6221 30 C 4.1527 7.8871 115.9066 62.5175 28.1630 175.2439 31 Q 4.2868 7.9850 116.8204 54.7178 29.0589 175.7401 32 R 3.8307 7.8803 118.5114 57.3009 28.1780 176.9229 33 L 4.1544 8.2289 116.0966 54.6750 42.8163 176.6860 34 D 4.3462 8.0175 117.3252 55.2473 39.4089 171.9029 35 L 5.0340 7.5209 115.7763 52.6281 46.4004 176.5151 36 T 5.4747 8.2774 111.2481 58.0091 72.9189 173.1519 37 P 4.2380 0.0000 0.0000 65.5494 31.2068 177.0401 38 P 4.3150 0.0000 0.0000 65.6579 31.2578 178.3158 39 D 4.3277 7.7255 116.4320 57.3831 40.7600 178.9102 40 V 3.6280 7.7477 118.6868 66.2178 31.4216 177.4686 41 H 4.1740 8.6643 118.2543 59.2982 29.7703 177.0882 42 V 3.5051 7.9334 120.0800 66.2967 31.3293 177.8647 43 L 3.9672 7.9862 118.3880 57.6283 41.4097 179.5610 44 K 3.7898 7.9851 119.4821 59.5633 31.9814 178.9152 45 L 3.9816 7.8362 118.0367 57.8326 41.2403 179.3206 46 I 3.7871 7.7839 119.8766 64.2657 36.7845 178.0193 47 D 4.3380 7.7825 118.1077 57.2428 41.2109 177.6498 48 E 4.4407 8.1401 116.8093 57.1658 30.6156 177.4016 49 Q 4.3658 7.5597 117.2266 53.1804 30.2146 173.4193 50 R 3.9578 8.4668 120.0063 57.7940 30.6717 176.8513 51 G 3.2021 7.2419 108.8978 45.7066 0.0000 173.2796 52 L 3.7329 7.0636 120.7117 55.5423 42.6264 176.2085 53 N 5.2003 8.3173 122.0604 52.3165 41.8446 175.9929 54 L 4.0779 8.4128 124.2464 57.7870 41.7158 179.8316 55 Q 4.0065 9.1064 118.1630 59.3810 28.5629 178.3202 56 D 4.3422 8.0104 120.4455 56.7784 40.6798 178.3278 57 L 3.9755 7.7579 119.9856 58.1743 42.5178 178.7712 58 G 3.8287 8.3702 106.0735 47.8868 0.0000 175.4974 59 R 3.9478 8.1625 120.3651 59.1410 30.1899 179.5671 60 Q 4.1812 7.7883 114.6042 56.2200 29.0148 176.4273 *62 C 4.4309 8.0217 115.2045 60.0585 29.6193 174.0260 63 R 4.7349 7.6952 116.6420 53.5554 33.6277 176.4173 64 D 4.5039 8.4803 120.8312 53.9602 42.6940 177.6581 65 K 3.8341 8.8127 123.4388 60.4818 32.1986 178.9701 66 A 3.9949 8.0476 121.3419 54.8963 18.3962 179.2413 67 L 3.9416 7.8491 118.1800 58.0710 42.1592 179.1314 68 I 3.7161 7.6533 119.8744 64.6993 37.0029 178.4731 69 T 3.8755 8.0305 116.5943 66.5706 68.2492 176.6569 70 R 3.8570 7.7915 120.7909 59.2035 30.2058 178.3819 71 K 3.8915 7.8458 119.0590 59.7313 32.1348 178.8170 72 I 3.7119 8.0448 120.3656 64.4034 36.9311 178.6458 73 R 4.1326 8.2776 120.6826 58.5752 28.6905 178.6383 74 E 3.9063 8.2106 119.1463 59.3667 29.6334 178.9799 75 L 4.2650 7.8422 118.7330 57.8498 41.3330 179.3844 76 E 4.2386 8.5305 118.8955 59.1387 29.1809 179.3468 77 G 3.8952 8.1492 104.8462 46.6689 0.0000 174.2169 78 R 4.4825 6.8924 118.5289 55.0181 30.8494 175.2444 79 N 4.1627 8.5207 115.5041 55.0896 38.0386 174.5007 80 L 4.6508 7.9816 117.3283 54.8896 44.7293 177.8522 81 V 4.8511 7.7525 116.6669 60.8645 34.6107 174.8086 82 R 4.7776 9.3651 126.5623 54.5874 33.2776 174.2911 83 R 5.1984 8.5430 122.8243 54.5860 33.4598 175.0611 84 E 4.8261 9.0549 120.7950 54.5018 34.1282 175.1737 85 R 4.3821 8.9158 123.5441 56.1318 31.0269 176.1094 86 N 4.4161 8.4586 123.7261 53.0869 39.2874 173.9176 87 P 4.1115 0.0000 0.0000 65.5922 31.7835 177.5103 88 S 4.2971 8.2100 112.3344 59.7120 62.7922 173.8223 89 D 4.4843 9.3862 119.6662 53.8237 42.1954 175.3920 90 Q 3.4037 8.3845 119.5911 54.3733 26.6939 172.6366 91 R 4.4133 6.7213 126.3765 56.8016 31.3240 173.5621 92 S 3.9517 6.6508 113.9218 57.3862 64.6856 174.8327 93 F 5.0649 7.0147 120.3580 56.8122 39.2478 174.0719 94 Q 4.9296 9.6365 117.4410 54.1454 31.9974 174.8982 95 L 5.1733 8.5648 121.3819 53.2502 44.5063 175.7460 96 F 5.1349 9.0145 120.2317 55.8760 43.9586 173.4667 97 L 5.0113 8.5959 120.8427 54.0209 43.0421 176.9880 98 T 4.4032 8.4474 114.0396 60.7252 70.5264 175.3521 99 D 4.4840 8.7757 121.3199 56.7991 39.0196 178.5077 100 E 4.1412 8.2095 119.6109 58.9323 29.6076 179.2374 101 G 3.5768 8.2055 106.0419 47.4709 0.0000 175.4792 102 L 3.9540 8.4134 123.0513 57.9489 42.1561 178.8961 103 A 4.0317 7.9392 120.5171 55.3592 18.2519 179.6887 104 I 3.6739 8.0077 118.3656 64.6310 37.1677 177.9972 105 H 4.1405 8.7548 119.4713 59.6611 29.6914 177.3221 106 Q 3.9922 8.2961 119.6912 59.2112 28.4911 178.6002 107 H 4.1150 8.3669 117.1869 58.5636 28.4965 177.6998 108 A 3.9697 7.9903 121.9336 55.3553 18.3621 179.2536 109 E 3.9870 8.3755 115.8867 59.3052 29.6219 179.3252 110 A 4.1679 7.8682 121.2193 54.8199 18.5135 181.0082 111 I 3.9659 7.5047 110.8805 61.2201 37.5283 178.1801 *113 S 4.1437 8.0894 116.3504 59.1815 64.0932 175.8049 114 R 3.9131 8.1145 117.5413 59.2938 29.1838 178.9932 115 V 3.5507 8.3053 119.4052 65.7790 31.5032 177.6843 116 H 4.1381 8.1397 115.5723 59.0153 28.6080 177.0264 117 D 4.4759 8.3759 120.7640 57.6564 40.4892 178.5453 118 E 3.9215 8.0286 117.3689 59.6448 29.6109 178.8873 119 L 3.9137 7.4538 118.5128 57.9561 42.4356 178.4108 120 F 4.9036 8.0174 115.9074 58.5192 39.3115 177.6917 121 A 4.1074 8.3059 121.0060 54.7273 18.1424 177.0643 122 P 4.3411 0.0000 0.0000 65.1283 31.7959 176.8429 123 L 4.4406 7.7136 119.1090 54.0729 42.4238 177.2929 124 T 4.2339 8.3345 112.6645 60.6870 70.8841 174.0708 125 P 4.2113 0.0000 0.0000 66.2130 31.2508 179.0562 126 V 3.6855 7.7099 111.7362 63.9847 31.4767 178.2272 127 E 3.9563 8.2106 118.4503 59.4285 29.2812 179.3281 128 Q 3.8545 8.3398 118.0591 58.9621 28.8190 178.8024 129 A 3.9417 8.3503 122.0461 55.4968 18.3385 179.7898 130 T 3.8097 8.3159 114.6264 66.5432 68.4787 176.5540 131 L 3.8979 8.1819 122.5924 58.3668 42.0676 179.4251 132 V 3.5540 7.8184 112.3352 64.6650 31.4494 178.0908 133 H 4.1174 8.2620 117.9380 59.3246 29.5117 177.4094 134 L 4.0081 7.9590 119.7808 57.3296 41.6124 179.2300 135 L 4.1301 8.0414 119.2802 57.9938 41.6423 179.1820 136 D 4.3848 8.3005 118.9836 57.4726 40.7064 178.8171 137 Q 4.0795 8.0344 118.5485 59.0371 28.3947 178.7293 138 C 4.0879 7.6208 116.5827 62.8751 28.5349 175.9476 139 L 4.1170 7.8216 119.5047 57.7251 41.1862 179.0762 140 A 3.9941 8.2091 119.4145 55.2220 18.4189 178.8325 141 A 4.3148 7.5528 115.3143 52.5734 18.5548 177.2795 142 Q 4.0822 7.8315 125.5835 56.7835 29.1478 175.5842 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 2 N 8.42 4.63 0.00 2.57 2.70 0.00 0.00 6.73 6.57 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 3 Y 7.88 4.72 0.00 3.01 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 4 P 0.00 4.31 0.00 2.21 2.10 0.00 3.98 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 2.06 2.02 0.00 5 V 8.17 3.88 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 0.80 0.00 0.00 0.96 0.00 0.00 6 N 8.72 4.35 0.00 2.75 2.70 0.00 0.00 7.17 7.71 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 7 P 0.00 4.31 0.00 2.07 2.12 0.00 3.72 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 2.03 2.13 0.00 8 D 8.62 4.55 0.00 2.80 2.68 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 0.00 0.00 0.00 0.00 9 L 7.94 3.84 0.00 1.91 1.66 0.91 0.82 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 *11 P 0.00 4.27 0.00 2.05 2.14 0.00 3.78 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 1.92 2.08 0.00 12 A 8.01 4.06 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 13 L 7.98 3.79 0.00 1.70 1.43 0.66 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 *15 A 8.09 4.29 1.36 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 0.00 0.00 0.00 16 V 7.39 3.60 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 1.05 0.00 0.00 0.94 0.00 0.00 17 F 8.07 4.60 0.00 3.14 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 18 Q 8.31 4.05 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.89 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 19 H 8.39 4.09 0.00 3.25 3.52 0.00 5.58 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.86 3.60 2.39 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 0.97 0.00 0.00 1.02 0.00 0.00 21 R 8.46 3.85 0.00 1.86 1.91 0.00 3.13 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 1.61 1.65 0.00 22 T 8.07 3.83 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 1.19 0.00 0.00 23 R 7.68 3.87 0.00 1.81 1.82 0.00 3.28 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 24 I 7.86 3.63 1.98 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 1.52 0.76 0.91 0.00 0.00 25 Q 8.35 3.96 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 26 S 7.92 4.06 0.00 4.01 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 27 E 8.16 4.04 0.00 2.06 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 2.58 0.00 28 L 8.22 4.02 0.00 1.82 1.71 0.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.28 4.31 0.00 2.68 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 30 C 7.89 4.15 0.00 2.95 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 31 Q 7.98 4.29 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.71 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 32 R 7.88 3.83 0.00 1.88 1.96 0.00 3.14 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 33 L 8.23 4.15 0.00 1.61 1.70 0.93 1.26 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 34 D 8.02 4.35 0.00 2.73 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 35 L 7.52 5.03 0.00 1.61 1.51 0.93 0.88 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 36 T 8.28 5.47 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 37 P 0.00 4.24 0.00 2.15 2.13 0.00 3.59 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 38 P 0.00 4.31 0.00 2.15 2.11 0.00 3.53 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 39 D 7.73 4.33 0.00 2.96 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 40 V 7.75 3.63 2.28 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 1.03 0.00 0.00 1.00 0.00 0.00 41 H 8.66 4.17 0.00 3.28 3.42 0.00 5.68 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.93 3.51 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 0.94 0.00 0.00 0.99 0.00 0.00 43 L 7.99 3.97 0.00 1.78 1.71 0.95 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.99 3.79 0.00 2.05 2.07 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.58 7.81 45 L 7.84 3.98 0.00 1.70 1.65 0.70 0.80 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 46 I 7.78 3.79 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.17 0.83 0.00 0.00 47 D 7.78 4.34 0.00 2.54 2.67 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 0.00 0.00 0.00 48 E 8.14 4.44 0.00 1.98 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 2.36 2.59 0.00 49 Q 7.56 4.37 0.00 2.16 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.90 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 50 R 8.47 3.96 0.00 1.84 2.04 0.00 3.41 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 51 G 7.24 3.20 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 0.00 0.00 0.00 0.00 52 L 7.06 3.73 0.00 1.89 1.44 0.87 0.52 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 53 N 8.32 5.20 0.00 2.77 2.78 0.00 0.00 7.18 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 54 L 8.41 4.08 0.00 1.89 1.78 1.07 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 9.11 4.01 0.00 2.21 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.63 2.38 0.00 56 D 8.01 4.34 0.00 2.89 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 57 L 7.76 3.98 0.00 1.60 1.85 0.86 1.12 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 58 G 8.37 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 59 R 8.16 3.95 0.00 1.83 2.16 0.00 3.26 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 60 Q 7.79 4.18 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.00 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 *62 C 8.02 4.43 0.00 2.99 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 63 R 7.70 4.73 0.00 1.77 1.78 0.00 3.33 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 64 D 8.48 4.50 0.00 2.68 2.59 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 0.00 65 K 8.81 3.83 0.00 1.99 2.10 0.00 1.52 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.54 7.81 66 A 8.05 3.99 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 67 L 7.85 3.94 0.00 1.84 1.67 0.92 0.98 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 68 I 7.65 3.72 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 1.68 0.79 0.91 0.00 0.00 69 T 8.03 3.88 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 1.25 0.00 0.00 70 R 7.79 3.86 0.00 1.83 2.07 0.00 3.10 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 71 K 7.85 3.89 0.00 1.94 1.95 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.52 7.81 72 I 8.04 3.71 1.96 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 1.70 0.64 0.81 0.00 0.00 73 R 8.28 4.13 0.00 1.97 1.96 0.00 3.13 0.00 0.00 3.18 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.46 0.00 74 E 8.21 3.91 0.00 2.04 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 0.00 2.30 2.35 0.00 75 L 7.84 4.27 0.00 1.88 1.68 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.53 4.24 0.00 2.08 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 2.50 2.54 0.00 77 G 8.15 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 0.00 0.00 0.00 78 R 6.89 4.48 0.00 2.05 1.90 0.00 3.31 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 79 N 8.52 4.16 0.00 2.73 2.82 0.00 0.00 6.94 6.32 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 80 L 7.98 4.65 0.00 1.75 1.66 0.92 0.84 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 81 V 7.75 4.85 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 0.78 0.00 0.00 0.92 0.00 0.00 82 R 9.37 4.78 0.00 1.86 1.80 0.00 3.06 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 83 R 8.54 5.20 0.00 1.62 1.49 0.00 2.21 0.00 0.00 2.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.37 0.00 84 E 9.05 4.83 0.00 2.15 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 2.26 2.39 0.00 85 R 8.92 4.38 0.00 1.77 1.94 0.00 3.28 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 86 N 8.46 4.42 0.00 3.11 2.71 0.00 0.00 6.60 7.59 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 87 P 0.00 4.11 0.00 2.24 2.20 0.00 3.97 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 88 S 8.21 4.30 0.00 3.87 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 89 D 9.39 4.48 0.00 2.58 2.68 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 0.00 0.00 0.00 0.00 90 Q 8.38 3.40 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 91 R 6.72 4.41 0.00 1.78 1.94 0.00 3.21 0.00 0.00 3.22 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.25 0.00 92 S 6.65 3.95 0.00 3.89 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 93 F 7.01 5.06 0.00 3.01 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 94 Q 9.64 4.93 0.00 2.07 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 95 L 8.56 5.17 0.00 1.42 1.41 0.87 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 96 F 9.01 5.13 0.00 2.97 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 97 L 8.60 5.01 0.00 1.55 1.62 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.45 4.40 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 1.27 0.00 0.00 99 D 8.78 4.48 0.00 2.90 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 0.00 100 E 8.21 4.14 0.00 2.16 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 2.40 2.37 0.00 101 G 8.21 3.58 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 0.00 0.00 0.00 102 L 8.41 3.95 0.00 1.84 1.89 0.97 0.92 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 0.00 103 A 7.94 4.03 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 0.00 104 I 8.01 3.67 2.02 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 0.71 0.93 0.00 0.00 105 H 8.75 4.14 0.00 3.22 3.63 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 8.30 3.99 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 107 H 8.37 4.12 0.00 3.41 3.35 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 7.99 3.97 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 0.00 109 E 8.38 3.99 0.00 1.94 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 2.23 2.34 0.00 110 A 7.87 4.17 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 0.00 111 I 7.50 3.97 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 1.09 0.99 0.00 0.00 *113 S 8.09 4.14 0.00 3.92 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 0.00 114 R 8.11 3.91 0.00 2.05 2.16 0.00 2.81 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.61 0.00 115 V 8.31 3.55 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 0.99 0.00 0.00 0.99 0.00 0.00 116 H 8.14 4.14 0.00 3.47 3.52 0.00 5.71 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.38 4.48 0.00 2.97 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 0.00 118 E 8.03 3.92 0.00 1.99 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 2.34 2.59 0.00 119 L 7.45 3.91 0.00 1.39 1.15 0.78 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.02 4.90 0.00 3.20 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 0.00 121 A 8.31 4.11 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 0.00 122 P 0.00 4.34 0.00 2.21 2.21 0.00 3.75 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 2.03 2.00 0.00 123 L 7.71 4.44 0.00 1.73 1.76 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.33 4.23 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 0.00 125 P 0.00 4.21 0.00 2.27 2.34 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 126 V 7.71 3.69 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 0.79 0.00 0.00 0.92 0.00 0.00 127 E 8.21 3.96 0.00 2.28 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 2.33 2.35 0.00 128 Q 8.34 3.85 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.64 0.00 129 A 8.35 3.94 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 0.00 130 T 8.32 3.81 4.39 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 1.21 0.00 0.00 131 L 8.18 3.90 0.00 1.84 1.63 0.91 0.89 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 0.00 132 V 7.82 3.55 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 0.66 0.00 0.00 0.92 0.00 0.00 133 H 8.26 4.12 0.00 3.31 3.49 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 7.96 4.01 0.00 1.63 1.69 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.04 4.13 0.00 1.99 1.71 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 136 D 8.30 4.38 0.00 2.78 2.69 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 0.00 137 Q 8.03 4.08 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 138 C 7.62 4.09 0.00 3.10 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 0.00 139 L 7.82 4.12 0.00 1.74 1.72 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.21 3.99 1.36 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 0.00 0.00 0.00 141 A 7.55 4.31 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 0.00 142 Q 7.83 4.08 0.00 2.28 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.49 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.