NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 D 4.5646 8.3644 120.5404 53.8907 43.0858 174.8010 8 Y 4.4717 8.0150 120.7661 55.8568 39.1901 172.8045 9 I 4.1145 8.8423 129.2239 58.4223 40.1896 173.2775 10 P 4.1630 0.0000 0.0000 62.7291 32.0797 176.7746 11 E 4.7628 8.2763 121.7717 53.8050 30.3959 174.7082 12 P 4.5494 0.0000 0.0000 61.9532 31.2017 180.0394 *14 D 4.2588 8.5876 119.5946 54.3169 40.5631 173.9120 15 L 4.6030 8.0854 125.1387 54.2220 42.1448 178.8870 16 S 4.0536 8.3961 116.0635 60.9876 62.7385 175.2399 17 L 4.4701 7.6764 117.6650 54.0932 41.7930 176.3662 18 V 3.6525 7.7422 120.4495 62.6016 31.8701 174.7589 19 D 4.7015 8.6059 126.8170 52.8414 41.6332 175.2692 20 L 4.7326 8.0924 126.3863 52.0622 44.0591 174.8049 21 P 4.3489 0.0000 0.0000 62.5040 32.0941 177.4058 22 E 3.9480 8.9195 123.2132 59.3389 29.3526 179.1710 23 S 4.1535 8.0659 112.8915 60.6438 63.1052 175.5194 24 L 4.2401 7.8838 124.0987 57.5595 42.1485 178.2986 25 I 3.6638 7.7154 119.2238 64.5721 36.8175 178.1407 26 Q 3.9659 8.1401 117.6218 58.2740 28.8728 177.2239 27 L 4.5150 8.0159 116.6475 54.6464 42.5254 178.4243 28 S 4.0515 8.2497 117.6103 61.9339 62.6798 176.6833 29 E 3.9984 8.1376 120.4876 59.2843 29.2735 179.3001 30 R 3.8172 7.9102 117.6048 59.3611 30.1819 178.9962 31 I 3.5910 7.6119 118.9679 64.4061 37.1111 178.3507 32 A 3.9451 8.2367 121.9853 55.0077 18.1520 179.2280 33 E 2.8350 7.7137 117.7492 59.1886 29.6382 178.6613 34 N 4.2908 7.9710 117.0344 56.5710 38.9047 177.0414 35 V 3.6013 7.7533 119.8162 66.1635 31.6435 177.3471 36 H 4.2457 8.4676 118.1419 59.4619 29.5800 177.0523 37 E 3.9924 8.2993 120.2390 59.3231 29.3241 179.3766 38 V 3.5554 7.9264 118.2332 65.8860 31.6504 177.5596 39 W 4.1822 8.4352 127.9093 60.7108 30.3488 177.6019 40 A 3.4448 8.1792 120.2059 54.2270 18.0123 179.5131 41 K 3.7994 8.2652 118.3852 59.4238 32.1433 178.8706 42 A 3.8753 7.9037 120.9905 55.2781 18.3215 179.8488 43 R 3.4869 7.3497 116.3627 59.3704 30.0179 179.4260 44 I 4.0951 7.7677 121.2430 63.9771 36.8096 178.2296 45 D 4.4554 8.1303 119.1989 57.0595 40.5962 177.5095 46 E 4.5209 7.7525 117.2439 56.3388 29.8195 177.6823 47 G 3.9342 7.9945 106.5836 45.1144 0.0000 174.4809 48 W 4.5524 8.2030 120.4765 56.7452 30.5031 175.3850 49 T 4.8082 8.8387 112.5252 59.6429 72.4767 172.2106 50 Y 5.0142 8.1969 123.0657 57.4240 39.5133 175.0168 51 G 3.8184 7.3245 111.5471 44.4410 0.0000 173.0680 52 E 3.9351 8.8444 124.3992 58.1535 29.8325 176.9475 53 K 4.6104 7.4674 118.1626 54.0013 34.4352 175.9674 54 R 4.3112 8.5437 127.5834 56.8732 31.1942 175.6237 55 D 4.3872 9.0403 124.5159 53.9259 43.4492 175.7628 56 D 4.5837 8.9534 127.7002 57.2197 41.4524 179.2327 57 I 3.4966 7.9301 119.5982 64.2665 37.1496 176.6079 58 H 4.3540 8.1155 113.4027 54.7336 29.6199 175.0044 59 K 2.0000 6.6217 118.6835 56.7041 29.5359 174.7783 60 K 5.0360 8.2298 118.6055 54.7869 34.9400 175.8124 61 H 5.2108 9.2397 122.9577 53.6402 32.5390 172.3809 62 P 4.3831 0.0000 0.0000 64.8989 31.4627 176.7273 63 C 4.5846 8.4479 114.8167 60.2872 28.7969 174.2574 64 L 4.7156 8.0208 121.7626 53.8924 39.7668 175.9633 65 V 4.6595 7.3351 111.4849 58.4414 36.4727 174.2305 66 P 4.4340 0.0000 0.0000 63.1252 32.0322 176.6705 67 Y 3.9428 9.1435 123.3791 61.0928 38.6035 178.3618 68 D 4.4097 8.3931 117.1358 57.1646 40.8998 177.3768 69 E 4.3434 7.9682 116.1303 56.1735 30.0118 176.6171 70 L 4.0809 7.5765 120.2810 53.6142 42.4929 175.3486 71 P 4.2818 0.0000 0.0000 62.7126 32.0407 177.1356 72 E 3.9110 8.8560 122.0595 59.4206 29.3699 179.0941 73 E 4.0349 8.0815 117.0575 59.0507 29.9189 178.7673 74 E 3.9845 8.1113 119.7272 59.1567 29.4178 179.3253 75 K 4.0140 7.8673 118.1863 59.2113 32.0557 179.0861 76 E 3.9414 8.3897 119.0669 59.5204 29.3741 178.4685 77 Y 3.9869 8.0911 119.4676 61.0570 38.8344 178.1395 78 D 4.3315 8.2823 119.4553 57.4382 40.7143 179.0804 79 R 3.9325 8.0190 117.5965 59.4098 30.1667 178.6106 80 N 4.4172 8.1397 115.4064 56.3527 38.7443 177.4313 81 T 3.8392 7.8194 117.0957 66.3897 68.5815 176.8193 82 A 3.6602 7.6365 119.5303 53.3876 18.7559 178.6896 *84 N 4.5512 8.0386 118.5611 54.9965 40.6331 176.9330 85 T 3.9502 7.7648 113.1353 66.8607 68.9585 175.8643 86 I 3.8470 7.7241 121.7386 64.3573 37.3185 179.4267 87 K 4.3832 7.5621 118.2812 56.4320 30.9007 179.1344 *89 V 3.9911 7.9163 120.7716 62.8156 33.4011 177.2508 90 K 4.4006 7.8262 119.7404 58.3760 32.3347 178.7394 91 K 4.0061 8.3691 119.9175 59.3200 32.1404 177.3451 92 L 4.3143 7.9680 115.6497 55.2200 41.5180 176.9922 93 G 3.8608 8.1058 106.7160 45.7631 0.0000 173.4533 94 F 4.8115 7.9205 117.2930 54.9743 41.2022 175.7744 95 R 4.1952 8.5183 123.9583 56.0830 30.6279 176.2044 96 I 4.6109 8.2015 121.8806 59.6166 40.0229 174.7544 97 E 4.7243 8.4598 123.7082 54.0885 33.5112 175.2114 98 K 4.0437 8.4708 123.4486 56.3885 32.8439 176.7008 99 E 4.3638 8.5027 125.2062 56.0942 30.6733 176.5969 100 D 4.5648 8.3861 118.4688 54.7129 41.3646 176.5257 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 7 D 8.36 4.56 0.00 2.72 2.85 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 0.00 0.00 0.00 0.00 8 Y 8.01 4.47 0.00 2.88 2.90 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 9 I 8.84 4.11 1.80 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 1.35 0.76 0.82 0.00 0.00 10 P 0.00 4.16 0.00 1.90 1.88 0.00 3.32 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.51 0.00 11 E 8.28 4.76 0.00 1.85 1.81 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 2.17 2.25 0.00 12 P 0.00 4.55 0.00 2.21 1.45 0.00 3.83 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 *14 D 8.59 4.26 0.00 2.66 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 15 L 8.09 4.60 0.00 1.73 1.64 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.40 4.05 0.00 3.97 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 17 L 7.68 4.47 0.00 1.63 1.72 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.74 3.65 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 0.73 0.00 0.00 0.94 0.00 0.00 19 D 8.61 4.70 0.00 2.65 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 20 L 8.09 4.73 0.00 1.65 1.55 0.91 1.11 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 21 P 0.00 4.35 0.00 2.17 1.97 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 22 E 8.92 3.95 0.00 2.03 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 2.37 2.37 0.00 23 S 8.07 4.15 0.00 4.06 3.99 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 24 L 7.88 4.24 0.00 1.77 1.85 0.90 0.78 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 25 I 7.72 3.66 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 1.63 0.59 0.90 0.00 0.00 26 Q 8.14 3.97 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 27 L 8.02 4.52 0.00 1.81 1.65 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.25 4.05 0.00 4.03 3.94 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 29 E 8.14 4.00 0.00 1.99 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 2.45 2.39 0.00 30 R 7.91 3.82 0.00 1.90 1.93 0.00 3.26 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 31 I 7.61 3.59 1.94 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 1.41 0.69 0.87 0.00 0.00 32 A 8.24 3.95 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 33 E 7.71 2.84 0.00 1.41 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 2.14 1.94 0.00 34 N 7.97 4.29 0.00 2.84 2.75 0.00 0.00 6.91 7.80 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 35 V 7.75 3.60 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 1.04 0.00 0.00 0.97 0.00 0.00 36 H 8.47 4.25 0.00 3.47 3.69 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.30 3.99 0.00 2.25 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 2.67 2.48 0.00 38 V 7.93 3.56 2.29 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 1.02 0.00 0.00 1.02 0.00 0.00 39 W 8.44 4.18 0.00 3.39 3.38 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 40 A 8.18 3.44 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 41 K 8.27 3.80 0.00 1.88 1.91 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.43 7.81 42 A 7.90 3.88 1.25 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 0.00 0.00 43 R 7.35 3.49 0.00 0.98 1.23 0.00 2.82 0.00 0.00 2.60 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.50 0.00 44 I 7.77 4.10 1.90 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 1.72 1.66 0.92 0.00 0.00 45 D 8.13 4.46 0.00 2.77 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 E 7.75 4.52 0.00 2.24 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 2.37 2.33 0.00 47 G 7.99 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.20 4.55 0.00 3.25 3.16 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 49 T 8.84 4.81 4.33 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 1.24 0.00 0.00 50 Y 8.20 5.01 0.00 3.32 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 51 G 7.32 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 52 E 8.84 3.94 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 2.32 2.40 0.00 53 K 7.47 4.61 0.00 1.74 1.62 0.00 1.84 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.32 7.81 54 R 8.54 4.31 0.00 1.80 1.81 0.00 3.33 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.54 0.00 55 D 9.04 4.39 0.00 2.74 2.47 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 0.00 0.00 0.00 0.00 56 D 8.95 4.58 0.00 2.79 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 57 I 7.93 3.50 1.86 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 1.21 0.40 0.62 0.00 0.00 58 H 8.12 4.35 0.00 3.05 3.22 0.00 5.85 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 6.62 2.00 0.00 1.24 0.74 0.00 1.28 0.00 0.00 1.16 0.00 0.00 2.69 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 0.73 7.81 60 K 8.23 5.04 0.00 1.76 1.85 0.00 1.46 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.31 7.81 61 H 9.24 5.21 0.00 3.40 3.31 0.00 5.59 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.38 0.00 2.29 2.34 0.00 3.32 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 63 C 8.45 4.58 0.00 3.05 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 64 L 8.02 4.72 0.00 2.03 1.81 1.02 0.53 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 65 V 7.34 4.66 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 0.80 0.00 0.00 1.01 0.00 0.00 66 P 0.00 4.43 0.00 2.22 2.05 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 67 Y 9.14 3.94 0.00 3.07 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 68 D 8.39 4.41 0.00 2.74 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 69 E 7.97 4.34 0.00 2.04 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 0.00 2.28 2.26 0.00 70 L 7.58 4.08 0.00 1.39 1.36 0.89 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.28 0.00 2.13 1.96 0.00 3.55 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 72 E 8.86 3.91 0.00 2.04 1.93 0.00 0.00 0.00 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 2.42 0.00 73 E 8.08 4.03 0.00 2.24 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 0.00 2.33 2.37 0.00 74 E 8.11 3.98 0.00 2.13 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 0.00 2.26 2.42 0.00 75 K 7.87 4.01 0.00 1.90 1.82 0.00 1.68 0.00 0.00 1.53 0.00 0.00 2.62 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.61 1.17 7.81 76 E 8.39 3.94 0.00 2.25 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 2.34 2.53 0.00 77 Y 8.09 3.99 0.00 3.17 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.28 4.33 0.00 3.06 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 79 R 8.02 3.93 0.00 1.78 1.99 0.00 3.19 0.00 0.00 3.51 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.99 0.00 80 N 8.14 4.42 0.00 2.72 2.75 0.00 0.00 7.11 8.18 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 81 T 7.82 3.84 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 1.12 0.00 0.00 82 A 7.64 3.66 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 *84 N 8.04 4.55 0.00 2.94 2.87 0.00 0.00 7.03 7.05 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 85 T 7.76 3.95 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 1.17 0.00 0.00 86 I 7.72 3.85 1.85 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 1.26 0.99 0.89 0.00 0.00 87 K 7.56 4.38 0.00 2.05 1.81 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.36 7.81 *89 V 7.92 3.99 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 0.78 0.00 0.00 0.81 0.00 0.00 90 K 7.83 4.40 0.00 1.89 1.93 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.54 7.81 91 K 8.37 4.01 0.00 1.81 1.85 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.48 7.81 92 L 7.97 4.31 0.00 1.95 1.88 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.11 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 0.00 0.00 0.00 94 F 7.92 4.81 0.00 3.24 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 95 R 8.52 4.20 0.00 1.84 1.89 0.00 3.16 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 96 I 8.20 4.61 1.89 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 1.44 0.65 0.91 0.00 0.00 97 E 8.46 4.72 0.00 1.90 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 2.21 2.30 0.00 98 K 8.47 4.04 0.00 1.71 1.71 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.46 7.81 99 E 8.50 4.36 0.00 2.00 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 2.31 2.33 0.00 100 D 8.39 4.56 0.00 2.63 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 * Residues marked with a * may have inaccurate shift predictions.