NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2945 8.2649 123.5859 51.3079 20.1625 177.1452 3 R 4.0467 8.2875 119.7713 57.9730 32.1061 173.6476 4 I 4.1217 9.6407 126.4111 61.5352 37.7963 177.0720 5 A 4.2106 9.2315 132.0075 53.9425 17.4577 181.7395 6 G 3.8839 8.9269 113.7205 44.0531 0.0000 175.9777 7 V 3.8265 8.2954 117.5198 63.6205 30.9949 176.1659 8 E 4.4433 9.1346 119.3620 55.7418 30.2132 175.8505 9 I 4.9938 7.8368 121.1625 59.5689 42.9434 172.5481 10 P 4.3595 0.0000 0.0000 63.1517 29.5895 177.8440 11 R 5.0539 9.9044 115.5816 54.1027 32.0099 172.8593 12 N 3.9369 7.2260 120.3572 53.3197 36.5187 172.9132 13 K 4.5588 8.7854 119.6245 54.0055 37.4886 176.3638 14 R 4.4419 8.2820 118.5493 56.3075 31.8119 178.3878 15 V 3.6612 8.0515 116.1242 64.7669 31.5021 178.6258 16 D 4.4222 8.1788 117.1826 57.3196 39.0159 178.2937 17 V 3.5260 7.8936 119.1912 64.8299 31.7232 177.6890 18 A 3.7233 8.9029 119.8439 55.1029 18.3520 179.1968 19 L 3.9010 7.7996 116.7211 58.1992 42.0875 179.0925 20 T 4.2862 7.6156 114.6031 66.3685 68.4881 178.0946 21 Y 5.0139 7.1474 118.1091 57.6652 37.2174 176.3675 22 I 4.6029 8.8018 120.8382 59.3110 41.1979 174.5343 23 Y 3.7881 8.4970 124.7944 61.2900 38.2776 174.7217 24 G 3.3860 8.3052 120.4994 45.7278 0.0000 172.9614 25 I 3.8079 7.8207 124.1176 59.9304 36.8234 175.8576 26 G 3.8340 7.8891 114.9511 43.6293 0.0000 173.0116 27 K 4.2043 8.3204 116.4338 57.9760 31.7107 177.4254 28 A 4.3305 7.7575 120.3931 54.7182 18.8885 179.3687 29 R 4.8076 7.7914 116.2976 58.1255 30.3129 177.8511 30 A 4.3887 8.0536 122.0363 53.1525 18.1933 178.6031 31 K 3.8296 7.5290 119.4918 57.6746 33.2480 177.6723 32 E 4.4427 8.6292 119.6657 58.0128 30.7466 177.2693 33 A 4.4351 8.2717 120.4214 54.5080 18.4043 179.3173 34 L 3.9367 8.0158 118.3892 57.4803 41.7426 178.7870 35 E 3.8918 8.1963 116.8281 60.4732 29.0828 178.4759 36 K 3.6176 8.1567 117.9258 59.5173 31.9608 177.5812 37 T 3.8120 8.1037 107.3811 62.1673 68.9949 175.3337 38 G 3.8588 7.2902 110.3060 47.3639 0.0000 173.3885 39 I 4.5041 7.3495 119.3327 58.8923 40.5128 175.6015 40 N 4.6024 8.3588 120.3644 52.4996 39.2086 172.9865 41 P 4.2366 0.0000 0.0000 64.9441 31.9246 178.1332 42 A 3.9688 7.9994 122.0828 55.8336 18.6215 177.3643 43 T 3.8467 7.6608 102.8859 61.0485 69.3202 173.2340 44 R 4.2221 8.3338 124.7280 55.9067 30.7974 177.7144 45 V 3.1102 8.9378 123.4753 66.3260 31.4558 177.5121 46 K 4.0464 8.2630 120.4720 59.1987 32.7661 177.2128 47 D 4.7605 8.4711 120.1437 53.4960 39.6949 176.5301 48 L 4.7497 7.2657 117.7796 52.4002 45.0952 178.0314 49 T 3.8918 8.7031 120.0874 64.0168 69.1971 174.9368 50 E 3.4148 9.1268 125.1570 59.8440 28.6484 179.3785 51 A 4.0714 7.9154 120.3095 55.0162 18.8277 179.1530 52 E 4.6860 8.1996 116.0363 59.9503 29.3826 178.9469 53 V 3.5973 8.8313 119.7404 65.9264 31.3066 178.0019 54 V 3.5455 8.0442 115.9679 66.6912 31.5177 178.8174 55 R 3.5949 9.1390 117.1465 59.3251 30.2478 177.6103 56 L 4.1062 8.0491 120.2210 58.2583 42.2108 178.6819 57 R 3.7017 7.7961 118.4642 59.6887 29.7303 177.9861 58 E 4.0980 8.8153 118.4930 59.3442 29.7384 176.6252 59 Y 4.4300 8.7836 119.0334 57.0476 39.8188 177.8284 60 V 3.3191 7.6349 121.3829 66.0204 33.1673 177.2961 61 E 4.0912 8.6900 121.1396 58.9769 29.5447 177.5245 62 N 4.8012 7.9572 112.5306 53.8108 39.5734 175.2609 63 T 4.4236 7.4830 117.2568 62.3994 69.9395 173.2402 64 W 4.3231 7.6275 119.9704 56.4835 28.5554 176.1465 65 K 4.3347 8.6217 122.1304 57.0162 32.9561 175.7842 66 L 4.7288 7.9442 117.5870 54.8057 45.0887 175.1297 67 E 3.5279 8.5215 116.7928 55.3678 31.8037 176.5963 68 G 3.6270 8.8560 112.0723 46.7994 0.0000 175.3763 69 E 4.2433 8.8369 115.2634 55.6664 29.4014 176.2768 70 L 4.6447 8.7281 119.4843 53.8639 49.1012 177.1125 71 R 3.8069 8.1715 120.2363 59.7849 30.0336 178.2911 72 A 4.0909 7.6680 119.5851 54.6758 18.7461 178.6241 73 E 3.8131 8.2234 117.5409 60.6963 29.4618 178.5188 74 V 3.2308 8.2650 114.5241 66.1397 31.4193 177.8635 75 A 3.8349 7.9183 119.1747 55.0236 18.7702 179.1166 76 A 3.9095 7.8711 119.2956 55.9019 18.3829 179.5111 77 N 4.2571 8.3924 114.5437 56.7393 38.3741 177.6049 78 I 3.7153 7.9943 120.5397 63.0260 37.3015 177.4594 79 K 4.2273 8.3876 118.5074 56.5229 32.4136 178.2568 80 R 3.9744 7.9909 120.4904 58.8295 30.0377 177.2130 81 L 4.6181 7.4414 117.4860 55.1157 41.3299 177.3208 82 M 4.6708 7.5827 114.3520 54.8903 32.1041 177.9679 83 D 4.8511 7.4382 122.1427 52.9755 39.0835 177.6048 84 I 3.7890 8.7840 116.5361 64.1445 37.1195 175.7302 85 G 3.5485 8.1488 113.9001 45.1812 0.0000 172.5392 86 C 3.7213 8.2493 115.0018 58.0677 29.8948 173.8601 87 Y 4.2004 9.1208 124.3245 61.0385 38.2714 178.0612 88 R 3.7049 8.1386 116.9698 57.8810 30.6870 177.1501 89 G 3.8493 10.0670 105.7904 47.5504 0.0000 175.2305 90 L 4.1171 6.7190 119.2817 55.1181 41.8264 175.5196 91 R 4.1494 8.5659 119.8820 58.2063 28.3824 178.2167 92 H 4.0066 7.6761 112.6663 59.1467 28.5562 177.1483 93 R 3.9368 7.5942 116.6724 59.7901 30.1117 177.7801 94 R 4.0354 7.7903 116.1416 56.9736 30.3258 177.2696 95 G 3.7752 8.4802 106.5406 46.2738 0.0000 173.7184 96 L 4.5826 7.4614 118.7603 51.6039 43.8702 174.5338 97 P 4.4008 0.0000 0.0000 62.9720 32.4151 176.5511 98 V 4.4138 7.8778 117.1810 61.6497 31.7597 176.4684 99 R 4.5370 7.4904 117.9827 56.5428 31.3814 177.7594 100 G 3.9027 8.3219 101.9662 46.7847 0.0000 171.4919 101 Q 4.4196 7.9111 122.1423 54.2053 32.8953 174.9913 102 R 4.2497 8.3565 119.5750 55.7100 29.0562 176.5411 103 T 4.2575 8.2081 114.8193 61.9863 69.5921 176.0294 104 R 4.0846 7.9489 122.4936 58.4361 30.3431 176.5641 105 T 4.5365 8.1176 104.2544 60.2715 69.3890 173.1342 106 N 4.2098 7.3914 121.7953 53.5675 42.8145 173.1221 107 A 4.2734 8.0226 128.3709 52.5233 19.6840 179.1023 108 R 4.1102 7.8618 117.3693 59.6946 29.9752 177.7964 109 T 4.2295 7.8754 115.8045 65.9172 69.2343 176.5480 110 R 4.4297 7.7810 117.3806 56.4345 30.1411 176.4999 111 K 4.6117 7.6841 117.7926 53.8608 35.1511 176.4961 112 G 3.8427 8.8983 111.7876 45.3573 0.0000 170.8814 113 P 3.9906 0.0000 0.0000 61.3873 32.1973 175.6254 114 R 3.6820 8.2167 121.0415 56.1734 29.0392 176.7886 115 K 4.3331 8.4050 124.1757 54.8476 32.0934 177.4419 116 T 3.2056 8.5032 116.1652 65.1347 68.0354 174.4908 117 V 3.2194 8.5935 123.0683 64.5007 30.5295 170.9674 118 A 4.8766 7.9907 119.6902 50.6697 22.1641 177.0983 119 G 4.1128 7.7778 110.0574 43.8368 0.0000 177.5105 120 K 3.9657 10.4044 126.3952 55.9848 30.1647 173.7324 121 K 4.5504 7.6871 116.9151 56.7422 36.7355 175.9239 122 K 4.6211 7.8444 121.1327 55.8469 32.0434 180.0024 123 A 4.4840 8.5262 131.7771 51.6147 22.0518 175.6487 124 P 4.8196 0.0000 0.0000 63.4213 31.2258 180.6703 125 R 3.3959 7.7910 115.0474 57.4793 27.1942 176.4043 *126 K 4.1215 7.6725 122.6302 54.8027 32.4047 177.4858 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 A 8.26 4.29 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 3 R 8.29 4.05 0.00 1.91 1.94 0.00 3.21 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 4 I 9.64 4.12 1.92 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 1.27 0.82 0.97 0.00 0.00 5 A 9.23 4.21 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 6 G 8.93 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 7 V 8.30 3.83 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 0.84 0.00 0.00 0.94 0.00 0.00 8 E 9.13 4.44 0.00 1.99 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 2.35 2.31 0.00 9 I 7.84 4.99 1.91 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 1.53 0.26 1.05 0.00 0.00 10 P 0.00 4.36 0.00 2.21 1.80 0.00 3.80 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 11 R 9.90 5.05 0.00 2.00 2.09 0.00 3.23 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.42 0.00 12 N 7.23 3.94 0.00 2.79 2.74 0.00 0.00 6.68 7.61 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 13 K 8.79 4.56 0.00 1.90 1.66 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.44 7.81 14 R 8.28 4.44 0.00 1.82 1.99 0.00 3.12 0.00 0.00 3.32 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.71 0.00 15 V 8.05 3.66 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 0.90 0.00 0.00 1.06 0.00 0.00 16 D 8.18 4.42 0.00 2.79 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 17 V 7.89 3.53 2.22 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 0.80 0.00 0.00 0.86 0.00 0.00 18 A 8.90 3.72 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 19 L 7.80 3.90 0.00 1.62 1.79 0.99 0.97 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 20 T 7.62 4.29 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 1.17 0.00 0.00 21 Y 7.15 5.01 0.00 3.11 2.93 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 22 I 8.80 4.60 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.22 1.04 0.00 0.00 23 Y 8.50 3.79 0.00 3.08 2.89 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 24 G 8.31 3.39 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 0.00 25 I 7.82 3.81 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.72 0.88 0.00 0.00 26 G 7.89 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 0.00 0.00 0.00 27 K 8.32 4.20 0.00 1.83 1.75 0.00 1.53 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.52 7.81 28 A 7.76 4.33 1.18 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 0.00 0.00 0.00 0.00 0.00 29 R 7.79 4.81 0.00 1.39 1.19 0.00 2.66 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 1.03 0.00 30 A 8.05 4.39 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 31 K 7.53 3.83 0.00 1.86 1.91 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.46 7.81 32 E 8.63 4.44 0.00 2.10 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 2.39 2.41 0.00 33 A 8.27 4.44 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 0.00 0.00 0.00 0.00 0.00 34 L 8.02 3.94 0.00 1.89 1.73 0.93 0.89 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 35 E 8.20 3.89 0.00 2.17 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 0.00 2.68 2.40 0.00 36 K 8.16 3.62 0.00 1.47 0.91 0.00 1.29 0.00 0.00 1.55 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.11 7.81 37 T 8.10 3.81 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 1.26 0.00 0.00 38 G 7.29 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 39 I 7.35 4.50 1.88 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 1.12 0.94 0.92 0.00 0.00 40 N 8.36 4.60 0.00 2.66 2.70 0.00 0.00 7.03 7.69 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 41 P 0.00 4.24 0.00 2.21 2.00 0.00 3.68 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 2.11 2.08 0.00 42 A 8.00 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 43 T 7.66 3.85 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 44 R 8.33 4.22 0.00 2.05 1.89 0.00 3.37 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 45 V 8.94 3.11 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 0.71 0.00 0.00 1.03 0.00 0.00 46 K 8.26 4.05 0.00 1.76 1.83 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.43 1.47 7.81 47 D 8.47 4.76 0.00 2.64 2.63 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 48 L 7.27 4.75 0.00 1.59 1.55 0.97 0.99 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 49 T 8.70 3.89 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 1.23 0.00 0.00 50 E 9.13 3.41 0.00 1.97 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 0.00 2.42 2.37 0.00 51 A 7.92 4.07 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 52 E 8.20 4.69 0.00 2.11 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 2.38 0.00 53 V 8.83 3.60 2.30 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 1.01 0.00 0.00 1.04 0.00 0.00 54 V 8.04 3.55 2.19 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 0.95 0.00 0.00 0.94 0.00 0.00 55 R 9.14 3.59 0.00 1.89 2.10 0.00 3.31 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 56 L 8.05 4.11 0.00 1.91 2.06 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.80 3.70 0.00 1.90 2.06 0.00 3.19 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 58 E 8.82 4.10 0.00 2.09 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 0.00 2.55 2.50 0.00 59 Y 8.78 4.43 0.00 2.84 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 60 V 7.63 3.32 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 0.95 0.00 0.00 1.11 0.00 0.00 61 E 8.69 4.09 0.00 2.08 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 2.31 2.33 0.00 62 N 7.96 4.80 0.00 2.91 2.80 0.00 0.00 6.78 7.54 0.00 0.00 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 T 7.48 4.42 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 0.01 0.00 0.00 64 W 7.63 4.32 0.00 3.25 3.23 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 0.00 65 K 8.62 4.33 0.00 1.93 1.92 0.00 1.90 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.52 7.81 66 L 7.94 4.73 0.00 1.65 1.94 1.13 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.52 3.53 0.00 1.96 2.20 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 2.34 2.38 0.00 68 G 8.86 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 69 E 8.84 4.24 0.00 1.92 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 2.30 2.37 0.00 70 L 8.73 4.64 0.00 1.58 1.66 1.11 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.17 3.81 0.00 0.67 1.59 0.00 3.14 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 1.24 1.57 0.00 72 A 7.67 4.09 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 73 E 8.22 3.81 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 74 V 8.26 3.23 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 1.05 0.00 0.00 1.02 0.00 0.00 75 A 7.92 3.83 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 76 A 7.87 3.91 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 77 N 8.39 4.26 0.00 2.72 2.89 0.00 0.00 7.15 8.25 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 78 I 7.99 3.72 1.89 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 1.44 1.06 0.64 0.00 0.00 79 K 8.39 4.23 0.00 1.87 1.81 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.60 7.81 80 R 7.99 3.97 0.00 1.84 2.09 0.00 3.08 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 81 L 7.44 4.62 0.00 1.91 1.62 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 82 M 7.58 4.67 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 83 D 7.44 4.85 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 84 I 8.78 3.79 1.88 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 1.35 0.81 0.92 0.00 0.00 85 G 8.15 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.25 3.72 0.00 3.16 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 87 Y 9.12 4.20 0.00 3.04 3.09 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 0.00 0.00 0.00 0.00 88 R 8.14 3.70 0.00 1.87 1.95 0.00 3.31 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 89 G 10.07 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 90 L 6.72 4.12 0.00 1.57 1.66 0.97 0.97 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 91 R 8.57 4.15 0.00 1.73 1.86 0.00 3.43 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.98 0.00 92 H 7.68 4.01 0.00 3.35 3.34 0.00 5.86 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.59 3.94 0.00 1.73 1.93 0.00 3.31 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 94 R 7.79 4.04 0.00 1.76 1.97 0.00 3.30 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 95 G 8.48 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.46 4.58 0.00 1.59 1.59 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.40 0.00 2.16 2.03 0.00 3.69 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 98 V 7.88 4.41 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 0.59 0.00 0.00 0.68 0.00 0.00 99 R 7.49 4.54 0.00 1.79 1.83 0.00 3.41 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 100 G 8.32 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 0.00 101 Q 7.91 4.42 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.03 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 102 R 8.36 4.25 0.00 1.84 1.84 0.00 3.17 0.00 0.00 3.39 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 103 T 8.21 4.26 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 1.29 0.00 0.00 104 R 7.95 4.08 0.00 1.80 1.99 0.00 3.18 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 105 T 8.12 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 0.00 106 N 7.39 4.21 0.00 2.65 2.78 0.00 0.00 6.87 7.42 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 0.00 107 A 8.02 4.27 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 7.86 4.11 0.00 1.79 2.00 0.00 3.25 0.00 0.00 3.31 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 109 T 7.88 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 0.00 110 R 7.78 4.43 0.00 1.79 1.93 0.00 3.12 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 111 K 7.68 4.61 0.00 1.89 1.66 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.33 7.81 112 G 8.90 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 0.00 0.00 0.00 113 P 0.00 3.99 0.00 2.05 2.00 0.00 3.72 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 2.03 2.16 0.00 114 R 8.22 3.68 0.00 1.80 1.93 0.00 3.19 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 115 K 8.41 4.33 0.00 1.72 1.79 0.00 1.65 0.00 0.00 2.02 0.00 0.00 3.23 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.51 7.81 116 T 8.50 3.21 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 1.25 0.00 0.00 117 V 8.59 3.22 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 0.73 0.00 0.00 0.93 0.00 0.00 118 A 7.99 4.88 1.24 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 0.00 0.00 0.00 119 G 7.78 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 0.00 120 K 10.40 3.97 0.00 1.95 1.96 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.39 7.81 121 K 7.69 4.55 0.00 1.68 1.69 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.41 7.81 122 K 7.84 4.62 0.00 1.68 0.83 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.35 7.81 123 A 8.53 4.48 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 0.00 124 P 0.00 4.82 0.00 2.19 1.52 0.00 3.79 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 1.98 1.99 0.00 125 R 7.79 3.40 0.00 1.85 1.91 0.00 3.24 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 1.63 1.68 0.00 *126 K 7.67 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.18 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.