NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3314 8.3149 120.1410 55.4349 33.7848 175.5939 2 P 4.3255 0.0000 0.0000 61.6533 32.1924 176.2169 3 G 3.6737 9.0456 109.1857 47.7444 0.0000 175.4634 4 A 3.9897 8.0696 121.7614 55.3112 18.2808 178.8382 5 M 3.9568 7.5665 115.2079 56.9484 32.4783 176.5185 6 Y 4.8412 7.9836 114.0149 57.0066 40.4538 176.9371 7 R 4.2003 8.0938 116.9128 57.7509 29.7733 175.8504 8 N 5.1863 7.4406 114.9890 52.1130 40.6429 175.0452 9 S 4.6697 8.2751 116.8282 58.3703 62.8348 175.1862 10 S 4.4262 7.8685 113.7320 58.7560 64.0077 174.2852 11 K 4.4174 7.6102 120.3711 54.1208 33.7274 173.8168 12 P 4.5386 0.0000 0.0000 61.9664 31.9270 176.4197 13 A 4.3591 8.3179 122.7264 52.6196 18.9596 177.4306 14 Y 4.7856 8.4990 122.2939 56.6924 39.7468 175.2343 15 T 4.5185 8.0445 113.1428 60.9942 71.5273 174.8371 16 R 4.2508 7.7563 122.2088 55.7078 29.1947 177.1145 17 R 3.8809 8.3262 123.7771 58.5570 30.3882 179.0954 18 E 3.8983 7.9693 114.6327 58.2678 29.4802 176.8903 19 Y 4.8409 7.8009 115.3553 57.4962 39.1129 175.2444 20 I 4.7748 7.6628 120.5295 59.4300 40.7882 174.8464 21 S 4.6637 8.3237 117.2650 57.6966 65.9549 173.3835 22 G 3.7916 8.8305 107.4162 46.4640 0.0000 173.5141 23 I 4.0451 7.6707 120.4829 59.3634 37.7873 174.6685 24 P 4.3940 0.0000 0.0000 62.2013 31.8774 176.6018 25 G 3.7697 8.2927 110.0448 45.0145 0.0000 173.5260 26 K 4.0751 8.3307 122.8060 56.0957 32.7942 177.0989 27 K 4.2925 8.8048 123.3397 56.7654 32.5425 176.9399 28 I 4.0764 7.5829 120.8234 61.0048 37.1215 175.7127 29 A 4.2242 9.7384 130.6916 54.9420 18.5169 177.3376 30 Q 4.8415 7.5399 110.9966 55.1010 33.1090 173.9712 31 F 4.4855 9.0802 117.1906 57.6244 42.0242 174.9296 32 D 5.5299 8.3573 118.2484 52.9182 42.4710 175.8029 33 M 4.8261 9.2463 122.5072 53.9747 36.4442 176.2854 34 G 3.3793 8.8681 106.7269 46.4165 0.0000 176.4682 35 N 4.5870 8.3989 118.9190 52.0713 37.1087 175.1502 36 N 4.6980 8.3839 119.2775 53.6701 38.3305 177.3094 37 G 3.5929 8.0349 107.7403 47.7444 0.0000 173.8633 38 A 4.4957 7.3855 120.6220 50.8267 20.3220 176.4760 39 G 4.1014 8.0476 108.1096 42.9743 0.0000 172.0789 40 P 4.3665 0.0000 0.0000 62.7978 29.3669 176.7491 41 T 4.5996 7.7670 110.9463 61.3204 69.8123 174.7793 42 Y 4.5632 7.9922 118.6280 56.8019 40.0144 174.3228 43 P 4.3600 0.0000 0.0000 65.3928 31.8940 176.2188 44 A 5.5164 7.9889 119.4128 49.8858 21.0884 175.3701 45 Q 4.4572 8.6586 123.2534 54.2674 31.2761 174.3028 46 V 4.7454 8.1079 125.9640 61.8033 34.0569 174.1919 47 E 5.0913 9.9814 123.6179 54.6611 34.6381 174.5073 48 L 4.0515 7.9203 124.9315 53.4154 43.4677 175.3575 49 V 4.5315 8.5990 128.4832 61.2479 32.8233 175.4589 50 V 3.8914 8.2159 128.6474 63.0976 32.5078 175.8597 51 E 4.8124 8.3069 124.6850 55.8403 30.4756 176.0364 52 K 4.4580 7.6780 117.2184 54.4147 36.1694 173.6722 53 P 5.0275 0.0000 0.0000 63.1716 32.2667 175.8974 54 V 4.4689 7.8562 114.3459 61.2152 36.1807 171.8131 55 Q 5.1928 8.5215 119.6698 54.6717 31.9110 176.1807 56 I 4.5616 8.2945 121.6524 59.5939 41.0760 175.4997 57 R 4.4966 8.6909 126.7832 55.8733 30.8218 177.5119 58 H 4.0757 8.7083 117.1030 58.9538 28.0598 177.5115 59 N 4.1050 7.9687 118.5546 56.4961 38.4175 176.9733 60 A 4.0598 7.8709 121.2575 54.8181 18.4418 179.5710 61 L 3.8567 7.9784 117.9677 58.0500 41.7017 179.0580 62 E 3.8676 8.4026 119.2345 59.4585 29.6234 178.8479 63 A 3.9866 8.1071 120.4977 54.8679 17.9084 179.5595 64 A 3.9738 8.2840 119.6306 55.1952 18.4208 179.9165 65 R 3.7731 8.5132 117.6993 59.7313 30.1486 178.4529 66 V 3.5698 8.2079 118.1326 66.0411 31.2875 177.5606 67 A 3.4539 7.8013 119.9653 54.9806 18.3375 178.9167 68 A 4.3860 7.5417 117.4879 54.5427 19.1283 179.1548 69 N 4.0181 8.4062 115.6827 56.9619 38.9939 176.9989 70 R 3.9543 8.5927 119.7017 59.5366 30.1639 177.0971 71 Y 4.2442 7.5711 118.0050 59.5874 39.1313 177.1926 72 V 3.2016 7.5772 117.8367 62.6653 31.9017 176.3693 73 Q 4.5886 7.6964 120.3704 55.9838 27.7274 175.3899 74 N 4.7099 7.3344 112.8849 52.8766 41.0124 174.1553 75 S 4.4923 7.6930 111.1858 58.0216 65.0041 174.9454 76 G 3.9869 8.2700 107.9093 44.8233 0.0000 174.3862 77 A 4.0000 8.6549 124.4810 54.3387 18.4367 178.1355 78 A 4.7021 7.6205 117.4745 51.5039 19.7167 176.3613 79 A 4.2128 7.8079 122.3367 53.7481 19.0730 178.9435 80 N 4.7264 8.4296 119.6168 51.8781 37.7674 173.5133 81 Y 4.6751 6.9655 119.0123 55.5762 41.3304 173.0785 82 K 4.9894 8.2108 119.1296 55.2129 36.0848 174.7829 83 F 6.0695 9.1465 125.5023 57.0027 42.8478 174.3285 84 R 5.1850 9.3153 123.1236 55.0943 34.8340 173.7756 85 I 4.4143 8.2505 125.3842 59.3886 38.0654 175.4921 86 R 4.4063 8.5052 126.8733 57.3292 30.1078 176.7899 87 K 4.7356 7.7627 119.2263 54.7990 34.0344 175.4482 88 F 4.7366 8.4864 120.5775 54.9333 41.7152 174.7317 89 P 4.6178 0.0000 0.0000 62.2863 29.6491 175.9460 90 F 4.3653 7.9681 125.0278 61.5474 39.7454 174.8187 91 H 4.3454 8.1463 123.6021 56.4461 30.1611 174.2728 92 V 4.3327 8.5531 126.7602 62.7985 32.1114 175.1152 93 I 4.5899 9.0796 121.3578 59.2607 40.3563 175.0781 94 R 5.0073 8.3144 123.0937 54.1924 33.2464 174.4845 95 E 4.6175 8.3743 118.5062 55.5211 33.2759 173.9747 96 N 4.8716 8.7715 125.8211 52.0887 38.0976 174.4306 97 K 4.5512 7.7176 126.5676 54.6841 31.9741 176.6630 *109 D 4.4436 7.6391 118.4782 54.7133 43.5191 172.3040 110 G 4.2147 8.7871 113.5223 46.0154 0.0000 172.5792 111 M 4.4488 8.8193 119.0190 54.6194 33.6339 176.3954 112 R 3.8550 8.0497 118.9819 57.1451 31.4711 176.5992 113 A 3.7888 8.0344 123.7755 52.9985 15.4161 175.1407 114 P 5.3097 0.0000 0.0000 61.9439 32.8275 176.8482 115 F 3.9371 8.4481 121.8213 58.5205 39.3787 175.4850 116 G 3.8508 8.0647 118.0611 45.2869 0.0000 171.2699 117 K 4.7165 8.7698 118.2247 54.0203 35.2620 174.1269 118 P 4.5835 0.0000 0.0000 63.8788 31.3805 176.2707 119 V 4.3469 8.8481 116.0271 60.3033 33.8897 175.2674 120 G 4.0186 7.0270 106.7268 46.4239 0.0000 171.8060 121 T 5.3381 7.6115 108.0713 60.1479 72.6995 172.6947 122 A 5.0330 8.8162 122.2193 50.8560 23.5142 174.8394 123 A 4.8663 9.0709 122.1898 50.3314 21.6080 176.4088 124 R 4.6456 8.6766 121.5780 55.3029 31.2440 176.0150 125 V 4.3416 8.3682 125.1426 61.3068 33.7280 175.1708 126 H 4.5479 8.8815 125.0254 54.7118 29.6735 174.9907 127 G 3.7418 8.3488 111.0953 47.2625 0.0000 173.7452 128 A 3.9228 9.5756 128.3464 51.5252 17.8183 177.8599 129 N 4.7693 7.9232 113.7185 52.9716 40.2161 173.8033 130 H 4.9229 8.2442 117.3719 54.6704 29.7501 174.7449 131 I 3.8988 8.4915 122.8770 62.1929 39.4924 175.2347 132 F 5.3460 7.6663 118.9960 55.5545 43.1437 174.2621 133 I 5.2461 9.3003 122.0504 59.6868 41.3157 174.1786 134 A 5.4687 9.4332 127.9499 49.9595 22.8047 174.6059 135 W 5.1198 9.4874 121.1953 54.8438 32.2473 175.3683 136 V 4.8646 8.9693 122.9614 60.4945 34.5453 173.7816 137 N 5.0302 9.0079 120.4134 52.1452 39.8349 173.5244 138 P 4.4985 0.0000 0.0000 62.6458 29.8999 176.6882 139 D 4.5907 7.5274 124.2413 52.5040 42.1644 176.6051 140 P 4.5050 0.0000 0.0000 62.7499 29.5158 176.7912 141 N 4.6894 7.8443 118.5226 53.7785 39.4845 176.7439 142 V 3.1572 7.2917 120.8288 64.3946 30.9790 177.7737 143 E 3.9278 7.8379 119.4019 58.7356 29.5624 177.9337 144 E 3.7117 7.9462 118.8477 58.3364 29.3536 178.0795 145 A 3.8739 7.5921 120.3043 53.9351 18.1732 178.6248 146 W 4.9320 7.4431 115.9664 57.6763 29.4070 178.2411 147 R 4.0172 7.5871 118.2237 58.8646 29.9202 177.9110 148 R 4.0805 7.8244 117.1957 58.3435 30.2836 178.4873 149 A 4.0590 7.6652 121.1319 54.8632 18.6278 178.9214 150 K 4.3250 7.7186 111.9109 57.6528 32.5142 177.3405 151 M 4.2026 7.4701 119.6689 56.9024 32.5675 176.8456 152 K 4.5194 7.9533 115.7071 55.8707 32.6847 175.9835 153 V 4.4749 7.3079 111.6448 59.2604 33.7527 174.6764 154 T 3.6116 7.9199 116.3421 65.9160 68.6646 173.8209 155 P 4.2686 0.0000 0.0000 63.5748 32.3555 175.6688 156 T 4.5513 8.0949 114.0625 62.7972 70.3717 174.1116 157 I 5.1574 8.1208 123.3568 59.6489 41.9985 173.9136 158 N 4.9478 9.0173 121.7522 51.9739 41.7789 173.0678 159 I 4.7228 8.4797 126.9447 60.1768 38.3118 174.2848 160 D 5.0189 9.0408 127.8672 52.3658 43.7067 174.7313 161 S 4.6148 8.3243 119.0269 57.7907 64.2425 171.5947 162 S 4.4503 9.2025 120.8562 59.1012 64.6194 173.0625 163 P 4.4116 0.0000 0.0000 63.5444 32.1417 174.9515 164 A 5.0091 7.9669 126.5017 52.1430 19.8687 176.0549 165 G 4.1372 8.2914 111.9841 45.3225 0.0000 172.3005 166 N 4.6954 8.0294 115.5372 51.5417 37.6669 175.2684 167 A 4.3019 7.5768 124.3263 52.2868 19.2309 177.3888 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 4.33 0.00 1.88 1.92 0.00 1.91 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.50 7.81 2 P 0.00 4.33 0.00 2.23 1.95 0.00 3.58 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 3 G 9.05 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 3.99 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 5 M 7.57 3.96 0.00 0.98 1.43 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.30 0.00 6 Y 7.98 4.84 0.00 3.05 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 7 R 8.09 4.20 0.00 2.00 2.35 0.00 2.94 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 8 N 7.44 5.19 0.00 2.78 2.76 0.00 0.00 6.91 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 8.28 4.67 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 7.87 4.43 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 7.61 4.42 0.00 1.82 1.81 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.46 7.81 12 P 0.00 4.54 0.00 2.13 2.05 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 2.11 0.00 13 A 8.32 4.36 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 14 Y 8.50 4.79 0.00 2.98 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 15 T 8.04 4.52 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 1.34 0.00 0.00 16 R 7.76 4.25 0.00 2.08 2.25 0.00 3.30 0.00 0.00 3.37 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 17 R 8.33 3.88 0.00 1.80 1.93 0.00 3.12 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.58 0.00 18 E 7.97 3.90 0.00 1.49 1.77 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 1.47 1.47 0.00 19 Y 7.80 4.84 0.00 2.90 2.90 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 20 I 7.66 4.77 1.76 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.61 0.89 0.00 0.00 21 S 8.32 4.66 0.00 3.92 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 22 G 8.83 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 23 I 7.67 4.05 1.86 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 0.58 0.89 0.00 0.00 24 P 0.00 4.39 0.00 1.99 1.98 0.00 3.64 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 25 G 8.29 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 26 K 8.33 4.08 0.00 1.74 1.77 0.00 1.87 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.61 1.53 7.81 27 K 8.80 4.29 0.00 1.77 1.83 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.55 7.81 28 I 7.58 4.08 1.92 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.45 0.20 0.00 0.00 29 A 9.74 4.22 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 30 Q 7.54 4.84 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 31 F 9.08 4.49 0.00 3.03 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 8.36 5.53 0.00 2.66 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 9.25 4.83 0.00 2.19 2.35 0.00 0.00 0.00 0.00 0.00 2.12 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 8.87 3.38 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 0.00 35 N 8.40 4.59 0.00 2.77 2.79 0.00 0.00 7.17 6.53 0.00 0.00 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 8.38 4.70 0.00 2.83 2.97 0.00 0.00 6.28 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 8.03 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.39 4.50 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 39 G 8.05 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 4.37 0.00 1.70 0.81 0.00 3.42 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.97 0.00 41 T 7.77 4.60 4.12 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 1.18 0.00 0.00 42 Y 7.99 4.56 0.00 3.31 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 43 P 0.00 4.36 0.00 2.12 2.16 0.00 3.85 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 2.07 2.11 0.00 44 A 7.99 5.52 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 45 Q 8.66 4.46 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 1.87 1.16 0.00 46 V 8.11 4.75 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 1.25 0.00 0.00 0.91 0.00 0.00 47 E 9.98 5.09 0.00 1.67 1.69 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 2.01 2.16 0.00 48 L 7.92 4.05 0.00 0.27 0.92 0.69 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.60 4.53 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 1.01 0.00 0.00 0.89 0.00 0.00 50 V 8.22 3.89 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 0.84 0.00 0.00 0.86 0.00 0.00 51 E 8.31 4.81 0.00 2.03 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 2.22 2.30 0.00 52 K 7.68 4.46 0.00 1.68 1.64 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.42 7.81 53 P 0.00 5.03 0.00 1.83 1.68 0.00 3.74 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 2.00 0.00 54 V 7.86 4.47 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 0.76 0.00 0.00 0.95 0.00 0.00 55 Q 8.52 5.19 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.67 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 56 I 8.29 4.56 1.83 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 1.21 0.68 0.87 0.00 0.00 57 R 8.69 4.50 0.00 1.87 1.84 0.00 3.02 0.00 0.00 3.42 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 58 H 8.71 4.08 0.00 3.36 3.52 0.00 5.28 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 7.97 4.11 0.00 2.73 2.85 0.00 0.00 7.06 7.71 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 60 A 7.87 4.06 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 61 L 7.98 3.86 0.00 1.74 1.55 0.78 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.40 3.87 0.00 2.01 1.92 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 2.37 2.37 0.00 63 A 8.11 3.99 1.39 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 64 A 8.28 3.97 1.64 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 65 R 8.51 3.77 0.00 2.14 1.97 0.00 3.18 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 66 V 8.21 3.57 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 0.97 0.00 0.00 0.99 0.00 0.00 67 A 7.80 3.45 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 68 A 7.54 4.39 1.56 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 69 N 8.41 4.02 0.00 3.14 2.95 0.00 0.00 6.89 8.41 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 70 R 8.59 3.95 0.00 1.81 2.07 0.00 3.33 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 71 Y 7.57 4.24 0.00 3.17 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 7.58 3.20 1.65 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 -0.03 0.00 0.00 -0.06 0.00 0.00 73 Q 7.70 4.59 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 74 N 7.33 4.71 0.00 1.98 2.35 0.00 0.00 7.13 7.63 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 75 S 7.69 4.49 0.00 3.98 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 76 G 8.27 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 77 A 8.65 4.00 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 78 A 7.62 4.70 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 79 A 7.81 4.21 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.43 4.73 0.00 2.77 2.90 0.00 0.00 6.88 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 6.97 4.68 0.00 3.16 2.97 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 82 K 8.21 4.99 0.00 1.91 1.98 0.00 1.44 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.93 1.31 7.81 83 F 9.15 6.07 0.00 3.23 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 9.32 5.19 0.00 2.16 2.01 0.00 3.36 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.04 0.00 85 I 8.25 4.41 1.58 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 0.85 -0.06 0.47 0.00 0.00 86 R 8.51 4.41 0.00 1.97 2.16 0.00 3.22 0.00 0.00 3.46 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 87 K 7.76 4.74 0.00 1.62 1.74 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.26 1.31 7.81 88 F 8.49 4.74 0.00 2.10 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 0.00 0.00 0.00 0.00 89 P 0.00 4.62 0.00 2.13 2.05 0.00 3.76 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.99 0.00 90 F 7.97 4.37 0.00 3.19 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 91 H 8.15 4.35 0.00 3.37 3.46 0.00 5.78 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.55 4.33 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 0.89 0.00 0.00 0.92 0.00 0.00 93 I 9.08 4.59 1.30 0.00 0.00 0.51 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 0.76 0.95 0.00 0.00 94 R 8.31 5.01 0.00 1.51 1.65 0.00 2.45 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.17 0.00 95 E 8.37 4.62 0.00 2.19 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 2.32 2.35 0.00 96 N 8.77 4.87 0.00 2.91 2.67 0.00 0.00 6.82 6.81 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 97 K 7.72 4.55 0.00 1.91 1.98 0.00 1.76 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.42 7.81 *109 D 7.64 4.44 0.00 2.70 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.79 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 0.00 0.00 0.00 0.00 111 M 8.82 4.45 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 112 R 8.05 3.86 0.00 1.78 1.83 0.00 3.27 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 113 A 8.03 3.79 1.42 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 0.00 114 P 0.00 5.31 0.00 2.21 2.31 0.00 3.45 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 2.01 2.01 0.00 115 F 8.45 3.94 0.00 2.96 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 0.00 116 G 8.06 3.85 0.00 0.00 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0.00 141 N 7.84 4.69 0.00 2.55 2.71 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 7.29 3.16 1.48 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 0.51 0.00 0.00 -0.15 0.00 0.00 143 E 7.84 3.93 0.00 2.00 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 2.42 2.40 0.00 144 E 7.95 3.71 0.00 2.10 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 2.03 1.76 0.00 145 A 7.59 3.87 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 0.00 146 W 7.44 4.93 0.00 3.33 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 0.00 147 R 7.59 4.02 0.00 1.82 1.87 0.00 3.21 0.00 0.00 3.31 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 148 R 7.82 4.08 0.00 1.92 1.86 0.00 2.83 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 149 A 7.67 4.06 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 0.00 150 K 7.72 4.33 0.00 1.84 1.90 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.51 7.81 151 M 7.47 4.20 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 152 K 7.95 4.52 0.00 1.79 1.79 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.37 7.81 153 V 7.31 4.47 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 0.77 0.00 0.00 0.94 0.00 0.00 154 T 7.92 3.61 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 4.27 0.00 2.14 2.09 0.00 3.64 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 1.97 1.99 0.00 156 T 8.09 4.55 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 8.12 5.16 1.83 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 1.18 0.72 0.81 0.00 0.00 158 N 9.02 4.95 0.00 2.84 2.69 0.00 0.00 7.54 8.93 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 0.00 159 I 8.48 4.72 1.94 0.00 0.00 1.03 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 0.77 1.15 0.00 0.00 160 D 9.04 5.02 0.00 2.68 2.46 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 0.00 161 S 8.32 4.61 0.00 3.95 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 9.20 4.45 0.00 3.88 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 4.41 0.00 2.32 2.12 0.00 3.74 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.18 0.00 164 A 7.97 5.01 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 0.00 165 G 8.29 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 0.00 0.00 0.00 166 N 8.03 4.70 0.00 2.74 2.81 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 7.58 4.30 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.