NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 C 4.5224 8.3293 118.3632 59.2231 29.0809 173.3339 11 P 4.4236 0.0000 0.0000 63.0465 32.7174 173.8873 12 L 5.0620 8.3314 123.2691 53.7167 44.9147 176.3453 13 M 4.9062 9.3088 125.7850 53.4674 36.3186 174.7930 14 V 4.8898 8.1343 120.0280 61.0243 35.6059 173.9549 15 K 4.7754 9.2277 128.0815 54.5896 35.4888 174.7278 16 V 4.7646 8.9516 127.1757 61.0137 34.3951 174.0438 17 L 5.0673 8.8574 127.3023 52.9234 45.4934 174.8947 18 D 5.1219 9.4323 123.0707 52.9437 42.2624 176.4555 19 A 4.3950 9.4885 128.3151 53.2240 18.7286 178.4344 20 V 3.9114 8.5571 115.0455 65.3743 32.0505 177.3329 21 R 4.1664 9.0687 116.7580 56.2750 30.6806 176.3600 22 G 3.9083 8.3865 105.9475 45.7024 0.0000 172.4714 23 S 4.6926 7.3818 111.3332 56.0738 67.0580 172.7496 24 P 4.6972 0.0000 0.0000 62.7955 31.8027 176.2620 25 A 4.2061 9.2971 126.6419 51.4520 19.2661 176.5726 26 I 4.2977 8.4072 122.9174 60.6093 39.7079 175.4028 27 N 4.2030 8.3982 120.1966 54.3613 36.6749 174.2201 28 V 4.1650 7.8500 118.8179 61.6964 33.0721 175.0110 29 A 4.6353 8.5544 129.7678 51.8473 19.9846 176.0845 30 V 4.6697 8.9589 121.7310 61.3754 34.6197 173.9332 31 H 5.1291 9.5615 125.1416 53.8588 31.9723 173.0664 32 V 4.8905 8.9182 122.9216 61.1610 34.3942 174.3159 33 F 5.4908 9.3877 125.2360 55.7390 43.4621 173.8378 34 R 4.7317 9.2131 120.3909 54.1618 33.4454 174.1689 35 K 4.1044 8.6830 128.2340 56.1977 32.6443 176.7616 36 A 4.2310 9.5543 131.5598 51.0142 19.5474 177.7905 37 A 3.9070 8.5997 122.5837 55.6337 18.2502 178.7340 38 D 4.4923 7.9272 111.5532 53.5084 39.2972 176.1404 39 D 4.2543 8.1761 117.4337 55.2214 40.1645 173.5709 40 T 4.2787 8.1587 108.5492 60.2430 71.3007 173.6481 41 W 5.2318 8.4481 122.4445 56.2468 29.9616 175.6459 42 E 4.8746 9.4180 125.4833 53.8276 31.2624 173.8950 43 P 4.1967 0.0000 0.0000 63.8324 31.4776 175.1193 44 F 4.8219 8.9298 124.4163 59.5428 41.7032 174.3966 45 A 4.5298 7.5461 117.3938 51.4894 22.4474 174.8500 46 S 4.7676 8.1982 111.1547 58.2414 65.6136 175.0845 47 G 4.1917 8.3134 107.7759 45.9027 0.0000 171.7471 48 K 5.3078 8.2018 117.5507 55.0351 36.3708 176.0384 49 T 4.2316 8.6284 113.3364 62.0096 70.3855 174.9183 50 S 4.9573 8.4616 118.9358 57.3281 65.5863 174.2880 51 E 4.1633 8.7434 118.5338 59.6738 29.2168 177.9624 52 S 4.2767 7.6758 110.8286 58.4722 63.6954 175.0053 53 G 3.9016 8.8962 110.8737 44.8211 0.0000 172.4650 54 E 5.2811 7.8136 116.3737 52.2757 33.0154 173.5408 55 P 5.1711 0.0000 0.0000 62.2828 32.8943 174.6511 56 H 4.7709 8.4337 116.4007 54.0261 32.1696 173.7408 57 G 4.0075 8.7571 107.3658 46.0844 0.0000 174.6072 58 L 3.9766 8.0388 119.4323 57.4982 41.9242 177.3234 59 T 4.4559 7.2752 108.7444 61.2276 70.5726 171.5578 60 T 4.7924 8.0412 111.1308 59.2401 71.7470 174.6219 61 E 4.1265 9.0408 123.9937 60.3487 29.7419 179.4687 62 E 4.2082 8.2561 113.7362 58.7971 30.0084 180.1182 63 E 4.3092 8.2457 119.5646 58.2489 30.1256 177.0142 64 F 5.0334 7.9321 122.1889 56.9889 37.6272 174.7800 65 V 4.0917 7.4956 118.0328 59.1211 33.7079 175.3250 66 E 4.2877 8.0448 121.2540 55.9486 30.1487 176.6238 67 G 3.7668 7.7361 110.6883 46.7293 0.0000 170.3141 68 I 4.8863 7.2008 119.8832 59.7223 39.4342 175.0586 69 Y 4.9988 8.7965 124.3748 55.9367 41.7146 174.6475 70 K 4.8652 8.9493 122.0580 54.7568 35.6552 174.9033 71 V 4.7143 9.4722 128.8917 61.3320 33.6112 173.7721 72 E 4.9469 9.7730 130.4718 54.5522 32.0848 174.3570 73 I 4.6225 8.4109 128.5177 59.7755 38.9733 176.0163 74 D 5.2696 8.8782 129.9343 53.8511 37.8358 177.1076 75 T 3.9073 7.8160 114.1839 64.1405 69.4655 176.8209 76 K 4.1061 7.8027 121.3706 59.7202 32.3203 179.0795 77 S 4.2117 8.0958 114.9625 61.4444 62.7696 175.8262 78 Y 3.9079 7.7087 121.8888 60.6416 38.5967 178.2421 79 W 4.2948 8.2658 119.8295 59.6532 29.1378 178.8114 80 K 4.1807 8.3614 118.3774 59.4544 31.3063 179.2301 81 A 4.0244 7.8239 119.8958 54.8507 18.3390 178.8052 82 L 4.2333 7.3266 114.4783 54.8851 41.9211 177.8602 83 G 3.9299 7.9074 107.3349 45.6614 0.0000 173.3887 84 I 4.3580 8.0316 119.7962 59.5328 38.8331 175.9830 85 S 4.5884 8.4419 120.2615 56.4446 62.6487 172.4976 86 P 4.4256 0.0000 0.0000 61.4357 32.6992 176.5167 87 F 3.9544 8.0421 121.2625 61.1124 39.3224 175.6604 88 H 4.5177 7.7607 115.3618 54.6538 30.0080 175.2520 89 E 4.0893 8.5299 121.5970 59.5502 29.6606 176.1127 90 H 5.0096 7.6485 110.4857 55.8380 31.4817 172.6062 91 A 4.3109 8.5664 122.4305 50.7758 21.2830 176.5530 *92 E 4.8585 8.5789 117.4072 54.6920 33.6393 175.2639 93 V 4.4633 8.9603 124.5941 60.2352 34.4064 174.2577 94 V 5.1911 8.5843 127.9357 61.1319 33.9278 174.4034 95 F 5.1059 8.7132 121.1385 56.0545 41.6432 173.2161 96 T 4.7150 8.7392 117.2308 63.2814 69.1398 173.9681 97 A 4.5924 8.7000 127.7520 50.6361 22.3998 176.1947 98 N 4.9791 9.8982 115.9508 53.7726 36.8869 176.4588 99 D 4.3706 8.4680 119.9952 57.0440 41.4042 177.0433 100 S 4.6751 8.0555 113.7981 58.1769 63.8232 174.8349 101 G 4.0367 8.0717 105.4654 44.0211 0.0000 171.9301 102 P 4.7669 0.0000 0.0000 63.3961 31.4191 175.5685 103 R 4.7841 8.7192 118.7199 54.6276 34.4755 174.4245 104 R 4.8913 8.8451 119.0363 54.8746 32.7988 175.2605 105 Y 4.9668 9.0990 120.6670 56.4300 41.7217 174.6129 106 T 5.0078 8.9464 120.4545 61.9011 71.8489 172.9107 107 I 4.6750 8.8117 128.2697 59.6683 39.2050 174.7219 108 A 5.3218 8.9534 128.9345 50.0825 22.1385 174.9422 109 A 5.1785 8.9052 121.7036 50.1173 22.9861 174.7082 110 L 5.0020 9.4911 124.6346 53.2565 44.7075 174.9108 111 L 5.3322 9.0707 126.5992 53.3143 44.2240 175.8347 112 S 5.0852 9.1553 118.5375 55.9342 66.9387 173.3225 113 P 3.0808 0.0000 0.0000 65.3062 31.0507 177.8222 114 Y 4.7259 7.6946 111.9861 57.1103 38.6712 174.8694 115 S 4.7538 8.0285 114.2849 58.0888 66.0101 172.7178 116 Y 5.5342 7.5967 117.8027 56.1567 40.5173 173.8274 117 S 4.9227 9.3982 114.8758 57.0656 66.8594 172.6985 118 T 5.1811 8.4363 114.6188 61.0651 70.4223 172.5023 119 T 4.8664 8.9807 121.0541 60.4143 71.7199 171.9091 120 A 5.1081 8.5302 125.9257 50.0200 21.9444 175.5542 121 V 4.2156 8.6580 122.2451 61.1162 33.6506 174.5500 122 V 4.6376 8.3935 128.0384 61.2015 33.5240 174.5197 123 T 4.6319 8.5533 117.8467 59.6945 72.3012 173.9140 124 N 4.4203 8.5365 119.9375 53.8874 39.0530 174.7683 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 10 C 8.33 4.52 0.00 2.95 2.92 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 11 P 0.00 4.42 0.00 2.52 2.44 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.25 0.00 12 L 8.33 5.06 0.00 0.58 1.03 0.93 0.67 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 13 M 9.31 4.91 0.00 1.87 1.85 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 14 V 8.13 4.89 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 0.96 0.00 0.00 0.90 0.00 0.00 15 K 9.23 4.78 0.00 1.74 1.54 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.30 7.81 16 V 8.95 4.76 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.84 0.00 0.00 17 L 8.86 5.07 0.00 1.60 1.52 0.93 1.05 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 18 D 9.43 5.12 0.00 2.67 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 19 A 9.49 4.40 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.56 3.91 2.62 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 0.97 0.00 0.00 0.98 0.00 0.00 21 R 9.07 4.17 0.00 2.14 2.04 0.00 3.55 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 22 G 8.39 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.38 4.69 0.00 3.88 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 24 P 0.00 4.70 0.00 2.01 2.14 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.09 0.00 25 A 9.30 4.21 0.46 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 0.00 0.00 0.00 26 I 8.41 4.30 1.91 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 1.49 0.86 0.92 0.00 0.00 27 N 8.40 4.20 0.00 2.95 2.94 0.00 0.00 6.85 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 28 V 7.85 4.17 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 0.75 0.00 0.00 0.41 0.00 0.00 29 A 8.55 4.64 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 30 V 8.96 4.67 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 1.00 0.00 0.00 0.85 0.00 0.00 31 H 9.56 5.13 0.00 3.06 2.77 0.00 5.61 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 32 V 8.92 4.89 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 1.31 0.00 0.00 0.95 0.00 0.00 33 F 9.39 5.49 0.00 2.84 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 34 R 9.21 4.73 0.00 1.24 1.63 0.00 2.67 0.00 0.00 2.98 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.50 0.00 35 K 8.68 4.10 0.00 1.05 1.33 0.00 1.44 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.99 0.41 7.81 36 A 9.55 4.23 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 37 A 8.60 3.91 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 38 D 7.93 4.49 0.00 2.73 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.18 4.25 0.00 2.91 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 40 T 8.16 4.28 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 1.23 0.00 0.00 41 W 8.45 5.23 0.00 3.02 2.95 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 0.00 0.00 0.00 42 E 9.42 4.87 0.00 2.18 1.98 0.00 0.00 0.00 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 2.33 0.00 43 P 0.00 4.20 0.00 1.97 1.99 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.35 0.00 44 F 8.93 4.82 0.00 3.01 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 0.00 45 A 7.55 4.53 1.14 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 0.00 0.00 46 S 8.20 4.77 0.00 3.64 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 47 G 8.31 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 0.00 0.00 0.00 0.00 48 K 8.20 5.31 0.00 1.74 1.81 0.00 1.51 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.39 7.81 49 T 8.63 4.23 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 1.18 0.00 0.00 50 S 8.46 4.96 0.00 4.03 4.14 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 51 E 8.74 4.16 0.00 2.24 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 2.31 1.87 0.00 52 S 7.68 4.28 0.00 4.02 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.90 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 54 E 7.81 5.28 0.00 1.90 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 2.14 1.82 0.00 55 P 0.00 5.17 0.00 2.02 2.09 0.00 3.27 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 1.89 1.75 0.00 56 H 8.43 4.77 0.00 2.98 3.18 0.00 5.85 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.76 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 0.00 0.00 0.00 58 L 8.04 3.98 0.00 1.69 1.69 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.28 4.46 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 0.97 0.00 0.00 60 T 8.04 4.79 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 61 E 9.04 4.13 0.00 2.30 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 2.32 1.88 0.00 62 E 8.26 4.21 0.00 1.99 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 2.23 1.87 0.00 63 E 8.25 4.31 0.00 2.01 2.11 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 2.57 2.36 0.00 64 F 7.93 5.03 0.00 3.15 3.11 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 65 V 7.50 4.09 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 0.82 0.00 0.00 1.00 0.00 0.00 66 E 8.04 4.29 0.00 1.95 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 2.27 2.26 0.00 67 G 7.74 3.77 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 0.00 0.00 0.00 68 I 7.20 4.89 1.70 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.63 1.01 0.00 0.00 69 Y 8.80 5.00 0.00 1.83 2.56 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 70 K 8.95 4.87 0.00 0.79 0.74 0.00 0.61 0.00 0.00 1.01 0.00 0.00 2.34 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 1.03 7.81 71 V 9.47 4.71 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 0.96 0.00 0.00 1.13 0.00 0.00 72 E 9.77 4.95 0.00 1.92 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 2.14 1.90 0.00 73 I 8.41 4.62 1.72 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.71 0.76 0.00 0.00 74 D 8.88 5.27 0.00 2.69 2.65 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 75 T 7.82 3.91 4.47 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 1.18 0.00 0.00 76 K 7.80 4.11 0.00 2.14 1.89 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.52 7.81 77 S 8.10 4.21 0.00 3.94 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 78 Y 7.71 3.91 0.00 2.89 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 79 W 8.27 4.29 0.00 3.51 3.22 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 0.00 80 K 8.36 4.18 0.00 2.09 1.88 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.63 7.81 81 A 7.82 4.02 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 82 L 7.33 4.23 0.00 2.07 1.73 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 83 G 7.91 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 84 I 8.03 4.36 2.24 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.76 0.78 0.00 0.00 85 S 8.44 4.59 0.00 3.91 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.43 0.00 2.22 2.10 0.00 3.79 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.16 0.00 87 F 8.04 3.95 0.00 1.79 2.68 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 88 H 7.76 4.52 0.00 3.27 3.41 0.00 5.94 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 89 E 8.53 4.09 0.00 1.77 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 2.15 0.00 90 H 7.65 5.01 0.00 3.22 3.25 0.00 5.11 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.57 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *92 E 8.58 4.86 0.00 1.70 1.68 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 2.11 1.84 0.00 93 V 8.96 4.46 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 0.98 0.00 0.00 0.97 0.00 0.00 94 V 8.58 5.19 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 1.22 0.00 0.00 0.88 0.00 0.00 95 F 8.71 5.11 0.00 3.17 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 96 T 8.74 4.72 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 1.23 0.00 0.00 97 A 8.70 4.59 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 N 9.90 4.98 0.00 2.77 2.88 0.00 0.00 6.53 8.35 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 99 D 8.47 4.37 0.00 2.95 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 0.00 100 S 8.06 4.68 0.00 3.91 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.07 4.04 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 0.00 0.00 0.00 102 P 0.00 4.77 0.00 2.25 2.15 0.00 3.73 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 2.02 2.04 0.00 103 R 8.72 4.78 0.00 1.03 1.44 0.00 3.17 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 104 R 8.85 4.89 0.00 1.61 1.78 0.00 3.06 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 105 Y 9.10 4.97 0.00 2.91 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 0.00 106 T 8.95 5.01 4.21 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 1.18 0.00 0.00 107 I 8.81 4.68 1.84 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.91 0.89 0.00 0.00 108 A 8.95 5.32 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 0.00 109 A 8.91 5.18 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 0.00 110 L 9.49 5.00 0.00 1.76 1.59 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 111 L 9.07 5.33 0.00 1.87 2.10 0.54 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 112 S 9.16 5.09 0.00 3.91 3.70 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 0.00 113 P 0.00 3.08 0.00 2.06 1.78 0.00 3.24 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.67 0.00 114 Y 7.69 4.73 0.00 2.78 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 0.00 115 S 8.03 4.75 0.00 3.93 3.96 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 0.00 116 Y 7.60 5.53 0.00 3.08 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 0.00 117 S 9.40 4.92 0.00 3.88 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 0.00 118 T 8.44 5.18 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 119 T 8.98 4.87 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 0.00 120 A 8.53 5.11 1.11 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 0.00 121 V 8.66 4.22 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 0.96 0.00 0.00 0.91 0.00 0.00 122 V 8.39 4.64 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.94 0.00 0.00 123 T 8.55 4.63 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 1.15 0.00 0.00 124 N 8.54 4.42 0.00 2.66 2.70 0.00 0.00 6.87 7.56 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 * Residues marked with a * may have inaccurate shift predictions.