NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 D 4.6488 8.3649 120.3199 53.1096 40.8687 175.4715 8 N 4.1102 8.6615 120.2341 54.7938 39.9813 172.8308 9 I 4.6628 7.7940 118.6019 59.7062 40.1139 174.2095 10 H 5.0094 9.2734 128.2945 54.0377 32.0992 173.1911 11 A 4.5763 8.5857 129.3336 51.6649 18.8788 177.0611 12 V 3.7867 8.4646 124.4868 65.4601 32.0944 175.5914 13 S 4.5730 7.1683 112.0705 56.5819 65.8763 174.3846 14 S 4.1359 8.5202 113.9594 60.6658 62.7066 174.7114 15 E 4.1740 7.6339 118.9340 55.1221 30.2167 175.1541 16 R 4.4258 6.7004 118.5972 54.5491 33.7194 173.6766 17 W 5.3522 8.9738 125.6585 54.9238 32.7540 174.6479 18 R 4.7604 9.5495 125.1442 55.1285 31.3515 174.9108 19 I 5.1201 8.9222 127.3614 59.5062 40.8830 174.8117 20 H 4.7525 9.0525 124.7143 55.7454 29.2241 176.7195 21 A 3.9176 9.2741 126.1772 55.2761 18.3628 179.0765 22 A 4.2224 7.8863 115.8901 53.2822 19.0875 177.7548 23 T 3.9178 7.8886 114.4195 63.4891 69.2495 173.7324 24 E 4.5321 8.7078 125.7302 56.2863 30.4532 177.9677 25 I 3.7461 8.6705 124.5830 64.5538 37.1875 178.1400 26 E 3.9310 8.3768 119.5844 59.8987 29.2696 178.7262 27 D 4.4533 8.0852 118.3897 57.1546 40.7897 178.7928 28 I 3.9413 7.8249 120.0040 64.6338 37.2453 178.0285 29 N 4.8259 8.4468 118.7522 56.1751 38.1175 177.7280 30 T 3.8895 7.8689 116.2687 66.3924 68.6271 176.3708 31 F 3.8769 8.0554 121.4753 61.0038 39.5521 176.5453 32 F 4.5580 8.4017 114.5786 56.5489 39.4211 176.1373 33 G 3.7491 8.1608 106.6689 46.7965 0.0000 173.7007 34 T 4.3398 7.6155 108.9031 59.8047 71.1895 173.4816 35 E 4.7044 7.6093 118.5753 55.8871 30.4096 176.2641 36 Y 4.4814 8.0458 116.3738 57.9948 38.8543 176.6106 37 S 4.4366 8.6391 118.2987 58.2636 63.2302 173.7934 38 S 4.9709 8.2845 119.3273 57.3932 63.2371 174.9642 39 E 4.0775 8.3158 123.1455 59.6495 29.1393 177.9104 40 E 4.5443 7.8133 113.7638 55.5961 30.0535 175.0905 41 A 4.4893 7.3723 120.0809 51.7825 21.9947 177.0161 42 D 4.5986 8.5223 119.3307 55.3318 42.2395 176.9323 43 T 5.0761 7.2867 107.8913 59.1457 73.0030 174.6030 44 I 3.5253 8.6890 122.2457 64.0106 37.9440 178.4037 45 G 3.6341 8.3022 106.9929 47.7653 0.0000 175.8181 46 G 3.5826 7.9533 108.3716 47.2712 0.0000 175.4831 47 L 3.7985 7.9942 123.0206 57.7592 42.0643 179.0595 48 V 3.3768 7.6526 118.3334 66.1486 31.3055 178.0477 49 I 3.6116 7.6379 119.2647 64.3964 36.6963 178.3938 50 Q 3.9419 7.9312 117.8468 59.1261 28.6370 178.5574 51 E 4.0589 8.1956 118.6053 59.1553 29.3230 178.8424 52 L 4.2524 8.2111 118.1090 54.8090 41.7977 178.7810 53 G 3.8759 9.6026 106.7541 45.5762 0.0000 173.0650 54 H 4.6868 7.1472 112.8506 53.8210 31.3941 173.3212 55 L 3.9122 8.4979 124.4533 54.5645 41.7878 175.0248 56 P 4.7679 0.0000 0.0000 62.3905 32.7387 175.2751 57 V 4.4397 8.0073 110.8891 58.7465 34.2836 175.6312 58 R 4.2492 8.3334 121.5461 58.3068 30.0691 176.8709 59 G 3.9893 9.1823 114.4338 44.9515 0.0000 173.1779 60 E 4.2884 8.1224 121.5101 55.9802 30.8887 175.5394 61 K 5.3469 8.6268 124.4215 54.5532 35.7726 175.8222 62 V 4.5008 9.0775 123.0513 59.8509 34.7343 173.9721 63 L 4.9829 8.6284 126.3158 53.8938 43.4363 175.7112 64 I 4.5451 8.8498 127.1316 60.2234 40.8099 175.3605 65 G 3.8230 8.5960 116.7626 47.2951 0.0000 173.4978 66 G 4.0450 8.6924 113.7295 44.9630 0.0000 171.8484 67 L 4.9643 7.9366 119.7353 52.4852 45.3553 175.1311 68 Q 4.8884 8.8673 124.3706 54.5215 31.2405 173.9572 69 F 4.9761 9.3493 125.9225 56.1892 41.2748 174.7474 70 T 5.0726 8.4010 119.9610 61.4948 71.3843 173.7380 71 V 3.8332 9.1661 127.0998 63.2662 31.8692 176.0593 72 A 4.4930 8.8672 130.2021 53.3835 20.6548 177.4438 73 R 4.6704 7.7693 115.1223 55.0720 33.4740 174.0151 74 A 5.2263 8.4883 126.5183 51.0520 22.6277 174.2137 75 D 4.8832 9.2146 118.7270 51.2197 42.8289 176.2934 76 N 4.3968 8.8119 115.8242 55.9115 38.7202 176.5229 77 R 4.2909 7.8821 115.9547 57.6500 30.9957 176.4058 78 R 4.6423 8.6522 115.6709 54.0806 34.1159 173.7925 79 L 4.6803 8.2884 122.1075 54.6546 43.3663 175.5097 80 H 4.9598 9.1807 122.4412 56.9276 31.7879 174.3040 81 T 5.1431 7.7657 106.3121 60.0472 72.2382 172.9170 82 L 5.4916 9.0991 124.0775 52.9845 46.1773 175.0698 *84 A 4.5594 8.5311 123.5940 53.2011 20.4441 176.1816 85 T 5.1938 8.5096 110.2642 59.8295 73.0189 173.4405 86 R 4.5767 8.7179 120.5975 55.9489 31.2255 177.3695 87 V 3.8866 8.3409 114.4205 61.7775 31.1918 176.2479 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 4.65 0.00 2.95 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.66 4.11 0.00 2.71 2.87 0.00 0.00 6.92 6.47 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 9 I 7.79 4.66 1.24 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.40 -0.12 0.00 0.00 10 H 9.27 5.01 0.00 3.37 3.31 0.00 5.77 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 11 A 8.59 4.58 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 12 V 8.46 3.79 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 0.80 0.00 0.00 1.00 0.00 0.00 13 S 7.17 4.57 0.00 3.87 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 14 S 8.52 4.14 0.00 3.99 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 0.00 15 E 7.63 4.17 0.00 1.78 1.86 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 2.18 2.17 0.00 16 R 6.70 4.43 0.00 1.59 1.44 0.00 2.95 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 17 W 8.97 5.35 0.00 3.54 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 18 R 9.55 4.76 0.00 1.92 1.90 0.00 3.05 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 19 I 8.92 5.12 2.04 0.00 0.00 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 1.30 0.90 1.03 0.00 0.00 20 H 9.05 4.75 0.00 3.10 3.22 0.00 5.65 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 21 A 9.27 3.92 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 22 A 7.89 4.22 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 23 T 7.89 3.92 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 1.21 0.00 0.00 24 E 8.71 4.53 0.00 2.20 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 2.40 2.34 0.00 25 I 8.67 3.75 1.90 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 1.39 0.49 1.02 0.00 0.00 26 E 8.38 3.93 0.00 2.05 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 2.41 2.45 0.00 27 D 8.09 4.45 0.00 2.95 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 28 I 7.82 3.94 2.26 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.03 1.39 0.00 0.00 29 N 8.45 4.83 0.00 2.93 2.96 0.00 0.00 6.58 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 30 T 7.87 3.89 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 1.20 0.00 0.00 31 F 8.06 3.88 0.00 2.94 2.84 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 32 F 8.40 4.56 0.00 3.19 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 33 G 8.16 3.75 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 0.00 0.00 0.00 34 T 7.62 4.34 3.13 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 0.98 0.00 0.00 35 E 7.61 4.70 0.00 1.85 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 36 Y 8.05 4.48 0.00 3.06 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 37 S 8.64 4.44 0.00 3.87 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 38 S 8.28 4.97 0.00 4.11 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 39 E 8.32 4.08 0.00 2.00 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 0.00 2.36 2.44 0.00 40 E 7.81 4.54 0.00 1.90 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 2.20 2.25 0.00 41 A 7.37 4.49 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 42 D 8.52 4.60 0.00 2.69 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 43 T 7.29 5.08 4.46 0.00 0.00 0.00 0.00 0.00 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 44 I 8.69 3.53 1.79 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.90 0.93 0.00 0.00 45 G 8.30 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.95 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 47 L 7.99 3.80 0.00 1.58 1.54 0.81 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.65 3.38 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 0.88 0.00 0.00 0.57 0.00 0.00 49 I 7.64 3.61 1.94 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 1.46 0.51 0.87 0.00 0.00 50 Q 7.93 3.94 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.96 0.00 0.00 0.00 0.00 0.00 2.57 2.62 0.00 51 E 8.20 4.06 0.00 1.97 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 2.37 2.37 0.00 52 L 8.21 4.25 0.00 1.58 1.45 0.90 1.01 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 53 G 9.60 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 7.15 4.69 0.00 3.04 3.25 0.00 5.76 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 55 L 8.50 3.91 0.00 1.60 1.66 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.77 0.00 2.22 2.00 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 57 V 8.01 4.44 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 0.83 0.00 0.00 0.95 0.00 0.00 58 R 8.33 4.25 0.00 1.78 1.86 0.00 3.28 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 59 G 9.18 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 0.00 0.00 0.00 60 E 8.12 4.29 0.00 2.17 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 2.32 2.32 0.00 61 K 8.63 5.35 0.00 1.65 1.68 0.00 1.75 0.00 0.00 1.92 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.53 7.81 62 V 9.08 4.50 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 0.85 0.00 0.00 0.93 0.00 0.00 63 L 8.63 4.98 0.00 1.68 1.64 0.97 1.00 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 64 I 8.85 4.55 1.85 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.63 0.78 0.00 0.00 65 G 8.60 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 66 G 8.69 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 0.00 0.00 0.00 67 L 7.94 4.96 0.00 1.40 0.72 0.05 0.43 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 68 Q 8.87 4.89 0.00 2.03 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 69 F 9.35 4.98 0.00 2.93 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 70 T 8.40 5.07 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 1.29 0.00 0.00 71 V 9.17 3.83 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 0.97 0.00 0.00 0.97 0.00 0.00 72 A 8.87 4.49 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 73 R 7.77 4.67 0.00 1.87 1.76 0.00 3.17 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 74 A 8.49 5.23 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 75 D 9.21 4.88 0.00 2.78 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.81 4.40 0.00 2.74 2.95 0.00 0.00 6.74 7.66 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 77 R 7.88 4.29 0.00 1.82 2.07 0.00 3.21 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 78 R 8.65 4.64 0.00 1.74 1.54 0.00 3.11 0.00 0.00 3.05 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.47 0.00 79 L 8.29 4.68 0.00 1.54 1.51 0.97 0.89 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 80 H 9.18 4.96 0.00 3.08 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 7.77 5.14 4.31 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 1.26 0.00 0.00 82 L 9.10 5.49 0.00 1.73 1.72 0.80 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 *84 A 8.53 4.56 1.16 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 0.00 0.00 85 T 8.51 5.19 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 1.23 0.00 0.00 86 R 8.72 4.58 0.00 1.82 1.96 0.00 3.36 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.99 0.00 87 V 8.34 3.89 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 0.61 0.00 0.00 0.99 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.