NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3454 8.3149 120.1412 55.3539 33.6384 175.5882 2 P 4.3073 0.0000 0.0000 61.8543 32.0882 176.2547 3 G 3.6487 9.0864 111.4701 48.1809 0.0000 175.2653 4 A 4.0008 8.2480 122.2696 55.7348 18.2914 178.7043 5 M 3.9539 7.6920 114.4234 57.7816 31.2894 176.7162 6 Y 4.8117 8.3633 113.7032 56.9996 40.3077 177.3185 7 R 4.3793 7.9358 116.4021 57.9772 29.8895 176.4857 8 N 4.8982 7.3511 116.3249 52.9496 39.4266 175.0838 9 S 4.8158 8.2549 116.2629 58.4990 63.4401 175.4759 10 S 4.3761 8.0523 114.7325 59.2516 63.7632 174.1542 11 K 4.4904 7.5921 120.1451 54.1451 33.5241 174.4342 12 P 4.4278 0.0000 0.0000 62.2820 31.8868 176.3677 13 A 4.3344 8.4499 123.5421 52.6729 19.0056 177.5891 14 Y 4.9373 8.7414 123.3168 55.6752 38.8897 175.0184 15 T 4.5325 7.9798 109.3392 60.2847 70.6004 175.7200 16 R 4.2583 7.6671 122.2935 55.7099 28.9910 177.1156 17 R 3.9125 8.2631 123.0305 58.0851 30.3583 178.8390 18 E 3.9575 7.7615 114.8029 57.9864 29.8632 176.8414 19 Y 4.7957 7.6860 115.1272 57.4211 39.1821 175.1859 20 I 4.5976 7.4213 119.9603 59.4214 40.0986 174.8416 21 S 4.7179 8.5379 118.9535 56.9987 65.6935 173.1225 22 G 3.8412 8.5424 105.7258 46.6986 0.0000 173.8214 23 I 4.0264 7.8061 120.6564 59.3689 37.7499 174.6598 24 P 4.3420 0.0000 0.0000 62.3478 31.8012 176.6194 25 G 3.7881 8.3030 110.0738 45.1239 0.0000 173.2227 26 K 4.2129 8.2601 121.1329 55.8635 32.8836 177.1182 27 K 4.2931 8.7578 122.7469 56.9231 32.7041 177.0885 28 I 4.0400 7.6219 120.6250 61.1485 37.2961 175.7281 29 A 4.1840 9.6661 130.2170 54.8998 18.4362 177.1938 30 Q 4.8149 7.5336 110.9472 54.9371 33.2350 174.1940 31 F 4.5183 8.9824 115.8893 57.1702 42.3293 174.6621 32 D 5.5199 8.4384 118.0972 52.8196 42.8967 175.4074 33 M 4.7770 9.3767 122.9679 53.8691 36.1443 176.6116 34 G 3.2453 8.7959 106.8233 46.6960 0.0000 176.7900 35 N 4.6182 8.5175 114.2780 52.0637 36.8874 175.2474 36 N 4.6417 8.1952 116.8080 53.8335 38.3822 177.6095 37 G 3.5960 8.0521 108.0757 48.0358 0.0000 174.0635 38 A 4.4362 7.5716 121.9095 50.9576 20.0190 176.5259 39 G 4.1033 8.0705 108.0851 42.9747 0.0000 171.7112 40 P 4.2608 0.0000 0.0000 62.6053 30.0083 176.9620 41 T 4.6665 7.8529 114.0640 61.3765 69.4288 174.4109 42 Y 4.7829 7.8406 117.3496 56.6072 41.2784 175.0310 43 P 4.4059 0.0000 0.0000 65.2136 31.9624 176.7700 44 A 5.7457 8.2430 119.5082 49.6634 21.9963 175.8654 45 Q 4.5329 8.5188 121.1461 54.7282 32.0848 173.6929 46 V 4.9503 8.1664 126.7799 61.4341 34.4731 174.3320 47 E 4.9069 10.2960 124.7662 54.4501 34.2890 174.4410 48 L 4.3478 7.8274 125.6103 53.5822 43.5483 175.0980 49 V 4.7417 8.6050 127.8000 61.0959 33.2144 175.0860 50 V 4.0215 8.4874 128.4644 62.9372 32.4815 175.8472 51 E 4.7063 8.3323 125.3655 56.0369 30.2691 176.0763 52 K 4.5422 7.5803 118.1207 54.2751 36.2392 173.9789 53 P 4.9144 0.0000 0.0000 62.6934 31.8995 175.8687 54 V 4.5648 7.9075 114.1167 60.8823 36.4860 172.1398 55 Q 5.0405 9.1193 120.9097 54.4026 31.4558 175.3024 56 I 4.4690 8.7118 124.4576 59.2316 40.0261 175.7262 57 R 4.4189 8.6201 126.8371 56.0992 30.8169 177.7853 58 H 4.2464 8.9000 117.3904 58.4059 28.2343 177.7521 59 N 4.0853 7.8984 119.1866 56.4216 38.5269 176.8821 60 A 4.0128 7.8582 121.5234 54.9231 18.5245 179.4009 61 L 3.8344 7.8649 117.5932 57.9225 41.7632 179.2649 62 E 3.8263 8.0070 118.6784 59.4057 29.6149 178.7688 63 A 4.0750 7.9572 120.3667 54.9502 18.2499 179.5394 64 A 3.9706 8.5323 119.8047 55.2287 18.5438 179.8133 65 R 3.8283 8.7029 117.5278 59.5911 30.1712 178.5517 66 V 3.5533 8.2966 118.0939 66.3319 31.3096 177.7526 67 A 3.6131 7.9622 118.4573 54.8124 18.3357 179.1381 68 A 4.3872 7.6013 120.5056 54.4081 18.8330 179.3155 69 N 4.0044 8.6591 115.9866 56.6188 38.8429 177.0787 70 R 3.7580 8.6180 120.0928 59.1058 30.3342 177.2310 71 Y 4.2633 7.3882 119.2119 59.4835 38.5246 177.3223 72 V 3.1937 7.2811 116.5506 62.4604 31.7024 176.6590 73 Q 4.3263 7.7085 119.8245 56.0943 27.8211 175.3183 74 N 4.7070 7.3738 112.7583 53.0676 40.8161 174.0757 75 S 4.4946 7.5729 110.2440 58.0871 65.3132 174.8788 76 G 4.0121 8.2853 107.1970 44.5611 0.0000 174.2182 77 A 3.9423 8.6386 123.5129 54.4462 18.3333 178.4671 78 A 4.6725 7.6693 116.8211 51.4547 19.6556 176.1398 79 A 4.1927 7.9832 122.5366 54.1032 18.9605 178.9249 80 N 4.7460 8.3422 119.1695 51.9338 37.7536 173.3793 81 Y 4.8512 7.0458 119.6321 55.7206 41.2084 172.9069 82 K 5.0077 8.2395 119.3028 55.1483 36.2033 174.5950 83 F 5.8588 9.3450 125.8939 56.7158 42.2904 174.1297 84 R 5.1986 9.2676 124.5508 54.5525 34.0078 173.9764 85 I 4.5717 8.2655 124.9578 59.3287 38.1082 175.4813 86 R 4.3786 8.5936 127.0041 57.5247 29.9814 176.9669 87 K 4.7187 7.7772 118.9298 55.0190 33.9618 175.5689 88 F 4.6653 8.3830 119.3116 54.8803 41.9972 174.5295 89 P 4.6261 0.0000 0.0000 62.6558 29.4475 175.5692 90 F 4.4990 8.1880 125.3623 60.4950 39.9829 175.9168 91 H 4.4805 8.4063 122.1217 55.9482 30.4865 174.8689 92 V 4.4424 8.4588 127.3547 62.5342 32.2347 175.1357 93 I 4.7110 8.8469 121.3128 59.2973 40.4213 174.8639 94 R 5.4172 8.4842 122.4371 54.0798 33.6098 174.6351 95 E 4.5423 8.2230 119.2317 55.3985 33.1591 174.1117 96 N 5.0506 8.8520 126.6498 52.2174 37.9814 173.9328 97 K 4.4603 7.6813 125.3245 54.5412 31.9158 176.1653 *109 D 4.4691 7.6713 120.1061 54.8747 44.0769 171.6081 110 G 4.0549 8.8985 118.6726 46.3674 0.0000 173.4932 111 M 4.3530 9.2041 120.0890 54.9008 33.3643 176.0783 112 R 3.9692 7.8548 119.9071 57.1407 31.3316 175.9619 113 A 3.8359 8.6093 127.7955 52.8025 15.9435 175.3107 114 P 4.7012 0.0000 0.0000 62.9676 32.4495 176.6038 115 F 3.8450 8.4099 121.8368 58.7349 39.2334 174.8000 116 G 3.9002 7.9665 115.2227 46.1618 0.0000 172.0708 117 K 4.8075 8.4251 119.3193 54.3327 35.2526 174.3394 118 P 4.8186 0.0000 0.0000 63.4546 31.3124 176.4978 119 V 4.3126 9.0302 116.1614 60.3868 33.9803 175.8981 120 G 3.8711 7.0595 106.8030 45.9946 0.0000 171.3764 121 T 5.2290 7.4024 107.2358 60.3140 72.6644 172.6429 122 A 5.1409 9.3372 123.3005 50.7278 23.6079 174.5970 123 A 4.9891 9.0235 121.2033 50.2520 21.7590 176.1203 124 R 4.8172 8.6797 121.4772 55.1394 31.4195 176.0131 125 V 4.4254 8.6094 124.5142 61.3453 34.3197 174.4753 126 H 4.7555 8.9578 124.6100 54.0115 30.1416 174.8818 127 G 3.8469 8.5038 111.0002 47.7742 0.0000 173.5158 128 A 3.9059 9.8582 127.3452 51.5577 17.9611 177.8544 129 N 4.8388 7.9761 113.6957 52.6647 40.5529 173.7087 130 H 5.1208 8.2041 116.6930 54.4945 29.7657 174.6076 131 I 3.8658 8.4169 123.3433 62.2436 39.3839 175.2874 132 F 5.3719 7.5789 119.0230 55.5449 43.0130 174.5309 133 I 4.9704 9.0722 122.4298 59.8126 41.0048 174.1320 134 A 5.4417 9.4778 128.9969 49.9139 22.4970 175.1244 135 W 5.0176 9.1067 119.7366 54.8322 32.1607 175.1975 136 V 4.8636 8.7544 123.9336 59.9168 34.7376 174.9865 137 N 5.0654 8.9401 119.0690 51.7729 40.1238 172.9964 138 P 4.3752 0.0000 0.0000 62.9989 30.5263 176.4879 139 D 4.5583 7.6556 123.9527 52.6246 42.3063 176.8159 140 P 4.4936 0.0000 0.0000 63.0928 29.2394 176.8077 141 N 4.7000 7.8120 118.0473 53.4995 39.7491 176.6754 142 V 3.0849 7.1993 120.9927 64.4466 31.0070 177.9591 143 E 3.8654 7.8307 118.7009 59.0722 29.1142 178.6680 144 E 3.9250 7.8449 118.6141 58.7678 29.4854 178.2517 145 A 3.8227 7.6742 120.6164 54.4081 18.2588 179.1502 146 W 4.7234 7.8407 116.7708 58.8388 29.2957 178.7212 147 R 3.9284 7.4242 117.2868 59.4855 29.8284 178.4295 148 R 4.0380 7.8245 117.6974 58.5099 30.0331 178.9232 149 A 4.1071 7.8432 121.7971 55.0970 18.6683 179.0132 150 K 4.3409 8.0961 111.1601 57.9639 32.4727 177.4586 151 M 4.1882 7.5459 118.8826 57.2273 32.4138 176.8550 152 K 4.5954 8.0090 116.0354 55.8013 32.7320 175.9686 153 V 4.5302 7.4210 111.3233 59.4644 34.8880 175.5381 154 T 4.0101 8.8619 120.8086 66.3686 68.3762 173.1698 155 P 4.5010 0.0000 0.0000 62.5528 32.0774 175.8217 156 T 4.3020 8.1334 115.6145 63.7465 69.6927 173.7897 157 I 4.7539 8.1447 123.6799 59.6516 41.9281 173.8884 158 N 4.8874 9.0362 123.0253 52.0341 41.0752 173.4831 159 I 4.7379 8.4631 127.4800 60.4132 37.7589 174.4264 160 D 5.0197 9.4029 127.9932 52.3285 43.8112 174.5435 161 S 4.6085 8.4110 120.4586 58.3189 63.9213 171.3934 162 S 4.3505 9.5916 123.2224 59.0263 63.7612 173.5250 163 P 4.3758 0.0000 0.0000 63.9813 32.3794 175.4359 164 A 4.6330 8.0699 126.0532 52.2656 19.8740 175.5887 165 G 4.0907 8.3870 109.3916 45.3887 0.0000 172.4262 166 N 4.7057 7.9473 116.1171 51.7103 37.8046 175.1517 167 A 4.2755 7.6078 124.5617 52.3612 19.1015 177.5425 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 K 8.31 4.35 0.00 1.89 1.93 0.00 2.01 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.54 7.81 2 P 0.00 4.31 0.00 2.26 1.98 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 3 G 9.09 3.65 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 0.00 0.00 0.00 4 A 8.25 4.00 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 5 M 7.69 3.95 0.00 1.07 2.04 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.31 0.00 6 Y 8.36 4.81 0.00 3.01 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 7 R 7.94 4.38 0.00 2.00 2.23 0.00 3.12 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 8 N 7.35 4.90 0.00 2.92 2.77 0.00 0.00 6.90 7.45 0.00 0.00 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 S 8.25 4.82 0.00 3.82 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 10 S 8.05 4.38 0.00 3.97 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 11 K 7.59 4.49 0.00 1.84 1.80 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.45 7.81 12 P 0.00 4.43 0.00 2.12 2.04 0.00 3.70 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 2.12 0.00 13 A 8.45 4.33 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 14 Y 8.74 4.94 0.00 2.95 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 15 T 7.98 4.53 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 1.37 0.00 0.00 16 R 7.67 4.26 0.00 2.07 2.16 0.00 3.30 0.00 0.00 3.37 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 17 R 8.26 3.91 0.00 1.79 1.92 0.00 3.11 0.00 0.00 3.36 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.59 0.00 18 E 7.76 3.96 0.00 1.41 1.75 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 1.47 1.47 0.00 19 Y 7.69 4.80 0.00 2.96 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 20 I 7.42 4.60 1.73 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.63 0.86 0.00 0.00 21 S 8.54 4.72 0.00 3.94 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 22 G 8.54 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 23 I 7.81 4.03 1.85 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 1.39 0.57 0.88 0.00 0.00 24 P 0.00 4.34 0.00 2.00 1.99 0.00 3.65 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 2.13 2.09 0.00 25 G 8.30 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 0.00 0.00 0.00 26 K 8.26 4.21 0.00 1.73 1.77 0.00 1.88 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.60 1.53 7.81 27 K 8.76 4.29 0.00 1.73 1.81 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.49 7.81 28 I 7.62 4.04 1.88 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.44 0.23 0.00 0.00 29 A 9.67 4.18 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 30 Q 7.53 4.81 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 31 F 8.98 4.52 0.00 3.05 3.08 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 0.00 0.00 0.00 0.00 32 D 8.44 5.52 0.00 2.64 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 33 M 9.38 4.78 0.00 2.17 2.37 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.75 0.00 34 G 8.80 3.25 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 0.00 35 N 8.52 4.62 0.00 2.76 2.79 0.00 0.00 7.18 6.49 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 36 N 8.20 4.64 0.00 2.85 2.99 0.00 0.00 6.32 7.00 0.00 0.00 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 G 8.05 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.57 4.44 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 39 G 8.07 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.26 0.00 1.62 0.72 0.00 3.39 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.91 0.00 41 T 7.85 4.67 4.16 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 1.20 0.00 0.00 42 Y 7.84 4.78 0.00 3.15 3.25 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 43 P 0.00 4.41 0.00 2.13 2.16 0.00 4.04 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 2.08 2.12 0.00 44 A 8.24 5.75 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 45 Q 8.52 4.53 0.00 2.32 2.02 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 2.02 1.50 0.00 46 V 8.17 4.95 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 1.34 0.00 0.00 0.87 0.00 0.00 47 E 10.30 4.91 0.00 1.79 1.66 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 0.00 2.05 2.31 0.00 48 L 7.83 4.35 0.00 0.27 1.00 0.79 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.61 4.74 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 1.01 0.00 0.00 0.91 0.00 0.00 50 V 8.49 4.02 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 0.87 0.00 0.00 0.85 0.00 0.00 51 E 8.33 4.71 0.00 1.99 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 2.25 2.33 0.00 52 K 7.58 4.54 0.00 1.67 1.64 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.44 7.81 53 P 0.00 4.91 0.00 1.94 1.68 0.00 3.72 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.13 0.00 54 V 7.91 4.56 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 0.70 0.00 0.00 0.95 0.00 0.00 55 Q 9.12 5.04 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 56 I 8.71 4.47 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.64 0.86 0.00 0.00 57 R 8.62 4.42 0.00 1.84 1.81 0.00 2.89 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 58 H 8.90 4.25 0.00 3.34 3.51 0.00 5.27 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 7.90 4.09 0.00 2.73 2.83 0.00 0.00 7.04 8.04 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 60 A 7.86 4.01 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 61 L 7.86 3.83 0.00 1.77 1.57 0.74 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.01 3.83 0.00 2.13 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 2.36 0.00 63 A 7.96 4.08 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 64 A 8.53 3.97 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.70 3.83 0.00 2.16 2.09 0.00 3.18 0.00 0.00 3.04 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.82 0.00 66 V 8.30 3.55 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 0.97 0.00 0.00 1.02 0.00 0.00 67 A 7.96 3.61 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 68 A 7.60 4.39 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.66 4.00 0.00 2.98 2.90 0.00 0.00 6.93 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 70 R 8.62 3.76 0.00 1.87 2.05 0.00 3.33 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 71 Y 7.39 4.26 0.00 2.97 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 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6.86 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 81 Y 7.05 4.85 0.00 3.14 3.02 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 0.00 0.00 0.00 82 K 8.24 5.01 0.00 1.92 1.92 0.00 1.38 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.03 1.56 7.81 83 F 9.34 5.86 0.00 3.33 3.17 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 0.00 0.00 0.00 84 R 9.27 5.20 0.00 2.15 1.99 0.00 3.38 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.08 0.00 85 I 8.27 4.57 1.68 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.02 0.52 0.00 0.00 86 R 8.59 4.38 0.00 1.96 2.15 0.00 3.20 0.00 0.00 3.42 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 87 K 7.78 4.72 0.00 1.63 1.76 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.31 7.81 88 F 8.38 4.67 0.00 2.12 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 89 P 0.00 4.63 0.00 2.13 2.07 0.00 3.73 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 1.91 1.98 0.00 90 F 8.19 4.50 0.00 3.16 3.12 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 91 H 8.41 4.48 0.00 3.40 3.38 0.00 5.77 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.46 4.44 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 0.89 0.00 0.00 0.83 0.00 0.00 93 I 8.85 4.71 1.71 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 1.25 0.32 1.02 0.00 0.00 94 R 8.48 5.42 0.00 1.52 1.75 0.00 2.48 0.00 0.00 3.01 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.25 0.00 95 E 8.22 4.54 0.00 2.17 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 2.31 2.35 0.00 96 N 8.85 5.05 0.00 2.91 2.66 0.00 0.00 6.86 6.27 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 125 V 8.61 4.43 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 1.00 0.00 0.00 0.87 0.00 0.00 126 H 8.96 4.76 0.00 3.29 3.21 0.00 5.89 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.50 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 0.00 128 A 9.86 3.91 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 N 7.98 4.84 0.00 2.67 2.66 0.00 0.00 6.58 8.32 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 0.00 130 H 8.20 5.12 0.00 3.01 3.18 0.00 5.52 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.42 3.87 1.62 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 0.29 0.96 0.65 0.00 0.00 132 F 7.58 5.37 0.00 2.29 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 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141 N 7.81 4.70 0.00 2.52 2.66 0.00 0.00 6.75 7.68 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 0.00 142 V 7.20 3.08 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 -0.44 0.00 0.00 143 E 7.83 3.87 0.00 1.93 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 2.43 2.36 0.00 144 E 7.84 3.92 0.00 2.02 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 2.18 1.84 0.00 145 A 7.67 3.82 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 146 W 7.84 4.72 0.00 3.50 3.12 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 0.00 147 R 7.42 3.93 0.00 1.82 1.99 0.00 3.22 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 148 R 7.82 4.04 0.00 1.90 1.87 0.00 2.76 0.00 0.00 3.00 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 149 A 7.84 4.11 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 0.00 150 K 8.10 4.34 0.00 1.88 1.93 0.00 1.66 0.00 0.00 1.98 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.52 7.81 151 M 7.55 4.19 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 152 K 8.01 4.60 0.00 1.78 1.78 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.37 7.81 153 V 7.42 4.53 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 0.76 0.00 0.00 0.94 0.00 0.00 154 T 8.86 4.01 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 0.00 155 P 0.00 4.50 0.00 2.15 2.03 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 156 T 8.13 4.30 4.23 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 1.24 0.00 0.00 157 I 8.14 4.75 1.85 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 1.19 0.77 0.87 0.00 0.00 158 N 9.04 4.89 0.00 2.89 2.64 0.00 0.00 7.48 7.79 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 0.00 159 I 8.46 4.74 1.96 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.78 1.15 0.00 0.00 160 D 9.40 5.02 0.00 2.65 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 0.00 161 S 8.41 4.61 0.00 3.89 3.74 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 0.00 162 S 9.59 4.35 0.00 3.92 3.68 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 0.00 163 P 0.00 4.38 0.00 2.31 2.12 0.00 3.78 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.19 0.00 164 A 8.07 4.63 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 0.00 165 G 8.39 4.09 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 0.00 0.00 0.00 166 N 7.95 4.71 0.00 2.74 2.82 0.00 0.00 7.02 7.35 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 0.00 167 A 7.61 4.28 1.23 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.