NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5305 8.2629 120.7080 54.9806 33.6428 174.6516 2 V 4.2555 8.4186 123.7647 59.7991 32.8144 171.1546 3 K 4.8352 10.1455 131.4720 51.8596 37.0131 172.4177 4 I 4.6570 8.4081 124.7966 60.5398 36.5073 175.5951 5 R 5.1540 9.0676 131.9836 55.1200 33.9505 171.4802 6 L 5.5697 8.7587 116.1876 54.7350 43.5389 171.7395 7 A 5.0329 8.3098 121.1621 50.5955 22.8661 175.8885 8 R 4.5410 8.7734 124.3969 56.8410 29.9236 175.1681 *9 F 4.5053 9.0182 123.6192 57.8375 41.3538 172.4803 10 G 4.1088 8.2145 107.8326 45.9724 0.0000 172.6545 11 S 4.7083 8.1784 116.2344 57.7623 66.8146 173.4353 12 K 4.6990 7.6828 120.0445 54.6571 33.8117 178.6287 *13 H 4.2688 9.2162 121.6973 58.2134 27.7679 175.8255 14 N 4.9045 8.8397 119.6060 51.3535 37.4362 176.9867 15 P 5.0863 0.0000 0.0000 62.6407 32.5064 175.3258 *16 H 4.8293 8.7429 123.6034 54.0776 32.1299 171.9942 *17 Y 5.7809 8.3796 127.4088 55.5403 39.6491 172.1006 18 R 4.8354 8.2868 117.0247 57.2344 33.8705 172.4642 19 I 4.6733 8.7169 127.5943 59.8962 35.3540 174.9553 20 V 4.2527 8.0635 124.9671 63.0604 33.2850 178.3895 21 V 4.7997 7.8361 122.5731 61.5532 33.9921 177.2873 22 T 4.5418 8.4961 120.0485 61.2313 74.4260 169.1263 23 D 5.3940 8.5855 118.5199 53.8376 40.6216 173.1907 24 A 3.9660 9.1795 128.6154 55.2195 18.3635 179.6583 25 R 3.9228 8.4377 115.2299 60.1081 29.4550 181.6241 26 R 4.2951 7.6333 117.4535 55.9725 30.5488 177.7671 27 K 4.5263 8.3557 118.2582 55.2685 33.4124 175.3514 28 R 4.3985 8.4745 126.8144 55.2266 27.8809 175.8834 29 D 4.7319 7.5059 113.4370 54.0933 44.0815 177.8739 30 G 4.4217 8.2944 112.7848 45.4635 0.0000 173.9685 31 K 3.9860 8.7312 124.3315 56.0778 32.3627 172.3581 *32 Y 4.6417 7.9843 116.4741 57.6359 40.1627 174.6198 33 I 4.4952 7.7942 115.8668 64.4882 38.0921 172.0147 34 E 4.7815 7.6943 120.6267 56.3945 34.2350 176.3410 35 K 4.7775 8.7180 122.0447 55.8842 34.7587 173.8408 36 I 4.1739 9.7563 123.1334 59.6842 37.2693 173.9115 37 G 3.9685 6.8768 109.7225 47.8081 0.0000 171.5550 *38 Y 5.0137 7.9593 122.6978 57.6798 42.2335 170.1076 *39 Y 5.0976 8.2037 116.5789 59.4741 41.4919 171.4804 40 D 4.7605 8.7832 127.3023 51.5200 41.7556 173.6172 41 P 4.2297 0.0000 0.0000 65.5757 30.8796 176.3629 42 R 3.8672 8.0010 118.2057 58.2743 29.9589 178.7044 43 K 3.7964 7.7018 119.3481 56.2370 28.7168 178.7526 44 T 4.2749 7.8256 117.7095 63.8489 70.0013 177.7691 45 T 4.3718 7.8095 116.9489 59.6098 69.3518 176.9615 46 P 4.1248 0.0000 0.0000 63.9773 31.0572 173.1074 47 D 4.9098 8.2104 117.8649 52.4218 41.6852 180.4012 *48 W 4.2285 8.5418 128.8341 56.4842 29.5844 173.5505 49 L 5.0701 8.4284 120.0400 55.7902 42.1968 181.8229 50 K 4.7038 8.5573 126.6466 54.2844 33.6121 174.0807 51 V 5.3860 7.9469 125.7349 59.6134 34.2888 176.9756 52 D 4.4829 9.0658 129.2309 52.7741 38.9593 176.6796 53 V 3.3564 8.2214 125.7850 66.0755 32.4935 177.3439 54 E 3.7625 8.3196 116.4005 62.0925 30.0507 182.1683 55 R 4.1297 8.1098 118.6643 61.9059 30.0275 180.1059 56 A 4.1527 8.4902 123.7185 55.9853 18.2040 180.2150 57 R 3.9602 8.7455 120.1449 62.5113 29.5424 181.2034 *58 Y 4.2821 7.7733 123.9602 62.3714 36.8482 181.2155 *59 W 4.3595 8.2698 127.4316 61.7626 27.9027 180.8020 60 L 4.3215 8.1328 125.5677 60.1277 40.1130 182.1202 61 S 4.6004 8.2736 119.6133 62.7106 62.3975 179.1316 62 V 4.2806 7.3154 118.3020 64.5596 31.8628 181.5825 63 G 3.7972 7.3052 103.1783 45.0370 0.0000 173.5635 64 A 4.9218 8.0524 125.5973 52.6142 18.6095 178.1386 65 Q 4.4194 8.8090 126.2214 55.0611 29.6459 170.5353 66 P 5.2837 0.0000 0.0000 60.9480 32.2221 173.3751 67 T 4.0935 8.5732 117.1779 60.8278 69.6076 175.3226 68 D 4.5184 8.8254 124.0146 60.7607 39.3549 179.1499 69 T 4.1397 7.8447 115.1172 65.8340 68.7277 178.5427 70 A 4.2763 8.0790 125.8522 55.8843 18.3191 180.0506 71 R 3.9772 8.6651 122.0985 61.9617 29.2981 182.9875 72 R 4.1548 7.9889 123.4908 61.9450 29.8133 181.2066 73 L 4.4458 7.8825 125.4969 59.9299 40.9387 181.9164 74 L 4.3992 7.9037 125.1833 59.5494 40.6101 181.8934 75 R 4.2955 8.4165 121.4531 62.0228 29.4366 183.5516 76 Q 4.3740 7.6606 118.1050 60.0686 28.1746 182.3809 77 A 4.4549 7.7881 120.3448 54.9047 18.9863 177.5712 78 G 3.8499 7.9866 115.2363 46.4272 0.0000 175.2184 79 V 3.9309 7.9009 118.9442 62.5555 31.2725 181.4996 *80 F 4.7183 8.2800 118.0503 57.5796 40.2288 181.1385 81 R 4.2024 7.9801 119.3214 56.6116 27.7531 180.8634 82 Q 4.2043 8.8686 124.6650 55.1494 28.2495 175.3850 83 E 3.7128 7.9001 118.8862 53.8312 29.0772 172.7583 84 A 4.7101 8.3686 128.7932 49.8931 22.5949 174.8056 85 R 4.1779 8.8140 118.6764 57.8502 32.9020 172.9239 86 E 3.8554 8.9938 108.0040 56.0693 26.2364 170.5156 87 G 4.5603 8.4498 120.4056 46.4998 0.0000 170.4794 88 A 4.1475 7.7593 127.3382 52.2702 18.2231 177.0681 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 1 M 8.26 4.53 0.00 1.73 2.03 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.13 0.00 2 V 8.42 4.26 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 0.62 0.00 0.00 0.93 0.00 0.00 3 K 10.15 4.84 0.00 1.21 1.64 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.78 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.25 1.06 7.81 4 I 8.41 4.66 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 1.20 0.57 0.91 0.00 0.00 5 R 9.07 5.15 0.00 1.41 1.80 0.00 3.21 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.42 0.00 6 L 8.76 5.57 0.00 1.41 1.46 0.92 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 7 A 8.31 5.03 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 8 R 8.77 4.54 0.00 1.61 1.74 0.00 3.21 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.19 0.00 *9 F 9.02 4.51 0.00 2.00 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 0.00 0.00 0.00 10 G 8.21 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.18 4.71 0.00 3.64 3.69 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 12 K 7.68 4.70 0.00 1.84 1.10 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.02 7.81 *13 H 9.22 4.27 0.00 2.92 3.01 0.00 7.12 0.00 0.00 0.00 0.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.84 4.90 0.00 2.57 2.72 0.00 0.00 7.04 8.40 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 15 P 0.00 5.09 0.00 1.85 1.85 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.59 0.00 *16 H 8.74 4.83 0.00 2.52 2.89 0.00 7.14 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *17 Y 8.38 5.78 0.00 2.11 2.14 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 18 R 8.29 4.84 0.00 1.44 1.75 0.00 3.21 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 19 I 8.72 4.67 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 1.08 1.32 0.91 0.00 0.00 20 V 8.06 4.25 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 0.65 0.00 0.00 0.93 0.00 0.00 21 V 7.84 4.80 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 0.64 0.00 0.00 0.93 0.00 0.00 22 T 8.50 4.54 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 23 D 8.59 5.39 0.00 2.36 2.58 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 24 A 9.18 3.97 1.28 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 0.00 0.00 0.00 25 R 8.44 3.92 0.00 1.84 1.87 0.00 3.27 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 1.55 1.21 0.00 26 R 7.63 4.30 0.00 1.87 1.79 0.00 3.22 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 27 K 8.36 4.53 0.00 1.67 1.70 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.38 0.99 7.81 28 R 8.47 4.40 0.00 1.73 1.91 0.00 3.25 0.00 0.00 3.37 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.20 0.00 29 D 7.51 4.73 0.00 2.63 2.49 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 0.00 0.00 0.00 0.00 30 G 8.29 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 0.00 0.00 0.00 0.00 31 K 8.73 3.99 0.00 1.78 1.65 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.04 7.81 *32 Y 7.98 4.64 0.00 2.26 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 0.00 0.00 0.00 33 I 7.79 4.50 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 1.09 1.23 0.91 0.00 0.00 34 E 7.69 4.78 0.00 1.60 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 2.18 1.84 0.00 35 K 8.72 4.78 0.00 1.48 1.56 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.70 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.24 0.97 7.81 36 I 9.76 4.17 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 1.16 0.62 0.91 0.00 0.00 37 G 6.88 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 0.00 0.00 0.00 *38 Y 7.96 5.01 0.00 1.96 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 0.00 0.00 0.00 *39 Y 8.20 5.10 0.00 1.95 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 0.00 0.00 0.00 40 D 8.78 4.76 0.00 2.32 2.58 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 41 P 0.00 4.23 0.00 2.08 2.02 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.62 0.00 42 R 8.00 3.87 0.00 1.82 1.89 0.00 3.33 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.25 0.00 43 K 7.70 3.80 0.00 1.90 1.81 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.27 1.24 7.81 44 T 7.83 4.27 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 45 T 7.81 4.37 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 46 P 0.00 4.12 0.00 2.08 2.03 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.64 0.00 47 D 8.21 4.91 0.00 2.67 2.48 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 *48 W 8.54 4.23 0.00 2.39 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 0.00 0.00 0.00 49 L 8.43 5.07 0.00 1.42 1.48 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.56 4.70 0.00 1.38 1.66 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.78 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.34 1.01 7.81 51 V 7.95 5.39 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 1.00 0.00 0.00 0.93 0.00 0.00 52 D 9.07 4.48 0.00 2.36 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.22 3.36 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 0.74 0.00 0.00 0.93 0.00 0.00 54 E 8.32 3.76 0.00 1.97 1.83 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 2.32 2.00 0.00 55 R 8.11 4.13 0.00 1.81 1.98 0.00 3.25 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 1.64 1.28 0.00 56 A 8.49 4.15 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 57 R 8.75 3.96 0.00 1.80 1.99 0.00 3.29 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 *58 Y 7.77 4.28 0.00 2.26 2.34 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 *59 W 8.27 4.36 0.00 2.51 2.32 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 60 L 8.13 4.32 0.00 1.66 1.71 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.27 4.60 0.00 3.71 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 62 V 7.32 4.28 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 0.93 0.00 0.00 0.93 0.00 0.00 63 G 7.31 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 64 A 8.05 4.92 1.27 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 0.00 0.00 0.00 65 Q 8.81 4.42 0.00 1.75 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.99 0.00 0.00 0.00 0.00 0.00 2.32 1.92 0.00 66 P 0.00 5.28 0.00 1.85 1.85 0.00 3.62 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.43 0.00 67 T 8.57 4.09 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 68 D 8.83 4.52 0.00 2.67 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 69 T 7.84 4.14 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 70 A 8.08 4.28 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 71 R 8.67 3.98 0.00 1.83 1.90 0.00 3.31 0.00 0.00 3.20 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 72 R 7.99 4.15 0.00 1.95 1.89 0.00 3.23 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 1.59 1.57 0.00 73 L 7.88 4.45 0.00 1.64 1.70 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.90 4.40 0.00 1.66 1.70 0.92 1.04 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 75 R 8.42 4.30 0.00 1.86 1.87 0.00 3.23 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 76 Q 7.66 4.37 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 77 A 7.79 4.45 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 78 G 7.99 3.85 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 0.00 0.00 0.00 79 V 7.90 3.93 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 0.70 0.00 0.00 0.93 0.00 0.00 *80 F 8.28 4.72 0.00 2.22 2.14 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 81 R 7.98 4.20 0.00 1.82 1.79 0.00 3.23 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.19 0.00 82 Q 8.87 4.20 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.58 0.00 0.00 0.00 0.00 0.00 2.27 1.92 0.00 83 E 7.90 3.71 0.00 2.00 1.74 0.00 0.00 0.00 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 1.94 0.00 84 A 8.37 4.71 1.20 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 85 R 8.81 4.18 0.00 1.87 1.75 0.00 3.42 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.95 0.00 86 E 8.99 3.86 0.00 2.10 1.84 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 2.14 1.85 0.00 87 G 8.45 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.76 4.15 1.26 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.