NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.4680 0.0000 0.0000 62.2036 32.9607 176.7208 6 T 3.9269 8.9675 113.5761 61.0579 70.6004 174.2118 7 I 3.6466 8.4090 122.8960 64.6621 37.5348 179.0749 8 N 4.2115 8.2695 117.2754 57.0007 38.5046 176.5428 9 Q 3.9604 8.1147 118.9676 59.0811 28.7558 178.6004 10 L 3.8872 8.0035 119.9499 58.0744 41.4569 179.8507 11 V 3.5935 8.1583 117.1455 65.9020 31.4446 178.1466 12 R 4.0884 7.9208 117.0735 59.4161 30.2372 178.4569 13 K 4.1869 8.6755 117.9725 56.5384 32.6537 178.4979 14 G 4.1518 7.4565 103.9216 45.5261 0.0000 173.0742 15 R 4.1212 8.0972 118.5641 55.6067 30.8200 176.0617 16 E 4.4915 8.4107 119.4215 54.3615 30.9922 175.9214 17 K 4.0757 8.5242 123.8403 55.8417 32.5567 177.0462 18 V 3.7400 8.3140 124.4106 62.7572 32.1834 175.0277 19 R 4.5819 8.2426 125.4870 54.2427 31.6494 176.5235 20 K 4.2168 8.4912 122.0988 56.1515 32.8601 176.3814 21 K 4.5770 8.1988 121.0001 54.2993 34.4968 176.3534 22 S 4.2429 8.6035 118.3008 58.4918 62.9394 173.5858 23 K 4.4983 8.4162 124.4921 56.1454 32.2004 177.8510 24 V 4.3614 8.0066 120.0583 61.5773 32.6310 172.8255 25 P 4.5391 0.0000 0.0000 61.4122 29.6039 175.8386 26 A 4.1093 7.7264 118.1158 51.8492 19.4195 177.8920 27 L 2.9120 8.3071 119.0928 57.7983 42.4407 173.3369 28 K 3.9024 9.4799 115.6965 56.4702 30.9623 176.5349 29 G 3.7144 7.7222 108.0176 47.1754 0.0000 174.1912 30 A 3.7333 8.1861 121.4103 48.1596 20.1737 175.6399 31 P 4.1157 0.0000 0.0000 65.0946 31.7223 176.9277 32 F 5.2376 7.5636 113.6695 56.0885 43.3500 174.1460 33 R 4.7059 8.7776 120.5440 54.6455 33.6138 174.0380 34 R 4.7378 8.7827 126.5006 56.1992 31.8696 175.1691 35 G 4.6303 9.3304 112.2997 45.1499 0.0000 170.9884 36 V 5.0152 8.2430 118.8681 60.8278 34.6450 174.4340 37 C 4.5321 8.8042 125.0999 60.6046 28.0418 172.8343 38 T 4.2391 8.7363 121.2560 64.0431 68.5622 175.0241 39 V 4.9767 7.4107 119.1290 59.8130 35.4686 174.5238 40 V 4.8687 7.7056 121.2165 61.9828 30.5706 175.3606 41 R 4.3340 7.7797 121.4256 57.1984 31.1767 174.7479 42 T 4.9251 8.2522 110.2208 61.1788 70.7056 173.8948 43 V 4.7155 9.1404 126.8612 61.3509 35.9729 173.5901 44 T 5.1000 8.2359 112.7129 59.1413 70.2373 172.8958 45 P 4.6497 0.0000 0.0000 61.4699 32.6357 178.2180 46 K 4.3888 8.6235 119.2236 57.1193 32.0676 181.6605 47 K 4.0224 7.7574 113.5008 54.7978 34.5621 172.2966 48 P 5.0529 0.0000 0.0000 62.6946 32.7048 174.5889 49 N 5.1299 8.1020 114.7691 52.6327 41.6472 174.2336 50 S 4.5452 8.3951 112.9784 55.7958 65.5314 173.2612 51 A 4.4809 7.8560 131.8681 52.4156 20.5094 176.4716 52 L 4.7070 7.9604 120.5333 53.4041 41.5477 175.7964 53 R 4.2756 8.7396 123.2693 55.6171 31.8380 175.8257 54 K 4.4595 8.5841 123.5698 56.1192 33.1600 176.2025 55 V 4.7752 7.8298 123.8289 61.1675 35.3290 174.2108 56 A 4.8546 8.4637 122.7549 50.4897 22.8677 175.9781 57 K 4.6377 8.9122 121.5494 56.1881 34.0081 176.4459 58 V 4.8428 8.4261 122.4571 61.5476 35.5361 174.1108 59 R 4.7679 9.0683 129.4070 54.7256 29.7771 175.4391 60 L 4.6786 9.3091 127.3558 54.6445 42.9144 178.5888 61 T 4.0959 8.9292 111.6631 64.0286 69.1531 176.3686 62 S 4.3693 8.1144 115.1535 58.2641 62.9318 173.8400 63 G 3.8973 7.8673 107.3158 47.5821 0.0000 172.9172 64 Y 4.8322 7.7455 113.6868 56.0068 43.3444 175.5246 65 E 5.4917 8.6460 118.4946 54.3532 32.6950 175.4385 66 V 4.6594 8.0829 116.6476 59.6828 36.9661 174.6757 67 T 4.7318 8.6170 119.0019 63.4379 69.2710 174.2094 68 A 5.0611 9.0292 128.2900 50.0344 22.3321 174.6192 69 Y 4.2503 9.4681 124.7007 57.6427 40.3865 174.7862 70 I 4.5968 6.9494 127.3051 58.8647 38.3069 173.9717 71 P 4.7545 0.0000 0.0000 62.2829 32.6547 176.7094 72 G 3.9484 8.9717 102.8637 45.2154 0.0000 172.4219 73 E 3.8348 7.8702 117.3155 58.2092 29.9310 177.4220 74 G 4.2695 7.6186 109.1352 43.9739 0.0000 170.7464 75 H 5.1088 8.4732 114.8783 53.5165 31.8159 172.4935 76 N 4.8968 8.4759 114.9024 52.3524 37.3593 175.2786 77 L 4.4486 8.1148 119.5801 54.6009 42.1205 176.9077 78 Q 4.4209 8.1145 123.1853 54.8136 30.6195 176.5696 79 E 4.6241 8.4588 119.5661 54.4391 27.2330 177.6378 80 H 5.6027 7.3736 125.7487 56.0883 31.4110 175.2568 81 S 4.7001 7.4067 116.3791 57.3732 64.4097 174.1859 82 V 4.1260 9.6706 123.9110 63.4195 32.6962 175.0439 83 V 4.6775 8.5235 123.6495 60.8216 35.2557 171.7742 84 L 5.0864 8.6750 124.1418 53.7522 44.1230 175.2779 85 I 5.1971 8.7613 127.3228 60.1942 40.1127 174.6686 86 R 5.1355 8.9447 119.8175 54.5578 33.3329 174.5771 87 G 3.7861 8.7695 106.9492 46.5449 0.0000 171.8503 88 G 3.0733 7.4002 110.2048 44.3901 0.0000 173.7968 89 R 4.1795 7.6325 126.5516 55.7143 31.2988 177.3729 90 V 4.1293 7.5870 118.4128 60.6945 31.7467 176.6793 91 K 4.4114 7.9871 126.7738 59.1119 33.7656 177.1398 92 D 4.3158 8.2324 118.6189 57.1508 40.6804 176.3249 93 L 4.5398 7.5823 124.5615 52.5241 40.8725 174.8875 94 P 4.5028 0.0000 0.0000 63.6926 31.8599 176.9069 95 G 3.8280 8.8868 107.5298 46.0222 0.0000 173.7614 96 V 4.5145 7.4539 119.1687 61.2455 33.7519 175.6630 97 R 4.5106 8.8288 125.7804 55.9952 31.8309 175.2354 98 Y 5.1782 7.9707 116.2587 56.5505 42.7179 173.8419 99 H 5.4975 9.2356 118.0419 54.3228 32.0244 174.0067 100 I 4.4915 8.6906 122.4527 60.9496 38.5910 176.8598 101 V 3.9677 8.4776 126.2636 60.7737 30.4553 172.0105 102 R 4.2259 8.3566 122.0403 58.5614 29.7991 175.1230 103 G 3.6719 7.4955 119.3884 44.8760 0.0000 171.8351 104 V 4.1346 7.2316 120.8072 62.0388 34.9129 173.8610 105 Y 3.9918 8.5331 126.3224 59.6249 34.9651 170.0803 106 D 4.5108 6.6450 125.3825 56.7998 42.0886 176.2160 107 A 4.1004 7.8869 122.1132 51.9363 16.9057 176.4156 108 A 4.4016 8.4581 123.8244 52.5641 19.2045 177.9783 109 G 3.9058 8.3111 107.2725 45.6713 0.0000 173.7753 110 V 3.8456 7.9012 121.7094 63.5208 31.9896 175.6816 111 K 4.5117 8.5858 125.0094 56.0808 34.4973 177.2650 112 D 4.5801 8.9547 120.0419 54.6710 38.8379 174.9244 113 R 4.1422 7.3591 118.4538 56.4052 30.5166 176.6799 114 K 4.7122 8.2660 116.6855 56.2017 37.4524 177.4956 115 K 4.0026 8.5221 116.9998 57.7548 30.6386 179.7417 116 S 4.6302 9.1328 123.5123 59.5386 61.3201 175.2828 117 R 4.1508 7.8100 122.0287 58.8302 30.9315 179.7883 118 S 4.1087 8.2256 111.9506 60.8978 63.3345 175.0290 119 K 4.0601 7.5348 119.2216 56.7086 32.6706 177.1723 120 Y 3.5065 7.8217 117.2017 58.7498 35.7382 170.4992 121 G 3.8332 7.0659 107.9313 46.7207 0.0000 174.9241 122 T 4.4840 7.4442 111.1777 59.1799 70.6131 175.3408 123 K 3.9782 8.5769 125.5388 55.9863 32.7282 176.2906 124 K 4.0771 8.4497 122.3268 55.3584 32.5001 174.8195 125 P 4.2201 0.0000 0.0000 63.5277 31.6413 177.1076 126 K 4.3258 8.2841 121.5839 55.5116 30.6773 178.1268 127 E 4.2720 7.7028 120.5369 55.6449 28.0546 177.8618 128 A 4.1489 7.7770 128.0536 53.2097 18.4753 177.7832 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 5 P 0.00 4.47 0.00 2.06 2.05 0.00 3.65 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 1.92 2.08 0.00 6 T 8.97 3.93 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 1.27 0.00 0.00 7 I 8.41 3.65 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.01 0.91 0.00 0.00 8 N 8.27 4.21 0.00 2.82 2.83 0.00 0.00 7.15 7.53 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 9 Q 8.11 3.96 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.52 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 10 L 8.00 3.89 0.00 1.87 1.73 0.97 0.68 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 11 V 8.16 3.59 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 0.83 0.00 0.00 0.97 0.00 0.00 12 R 7.92 4.09 0.00 1.91 1.96 0.00 3.21 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 13 K 8.68 4.19 0.00 1.65 1.80 0.00 1.57 0.00 0.00 1.81 0.00 0.00 3.13 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.49 7.81 14 G 7.46 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.10 4.12 0.00 1.81 1.87 0.00 3.36 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 16 E 8.41 4.49 0.00 2.06 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 0.00 2.20 2.31 0.00 17 K 8.52 4.08 0.00 1.77 1.80 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.42 7.81 18 V 8.31 3.74 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 0.79 0.00 0.00 0.93 0.00 0.00 19 R 8.24 4.58 0.00 1.83 1.83 0.00 3.26 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 20 K 8.49 4.22 0.00 1.74 1.73 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.45 7.81 21 K 8.20 4.58 0.00 1.70 1.69 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.32 7.81 22 S 8.60 4.24 0.00 3.82 3.76 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 23 K 8.42 4.50 0.00 1.70 1.70 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.36 7.81 24 V 8.01 4.36 2.03 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 0.86 0.00 0.00 0.72 0.00 0.00 25 P 0.00 4.54 0.00 2.12 2.03 0.00 3.86 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 26 A 7.73 4.11 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 27 L 8.31 2.91 0.00 1.54 1.50 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.48 3.90 0.00 1.89 1.77 0.00 1.89 0.00 0.00 1.83 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.42 7.81 29 G 7.72 3.71 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 0.00 0.00 0.00 30 A 8.19 3.73 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 31 P 0.00 4.12 0.00 1.65 1.79 0.00 3.67 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 2.02 2.02 0.00 32 F 7.56 5.24 0.00 2.92 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 33 R 8.78 4.71 0.00 1.88 1.68 0.00 3.17 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 34 R 8.78 4.74 0.00 2.06 1.78 0.00 2.67 0.00 0.00 2.83 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 35 G 9.33 4.63 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 36 V 8.24 5.02 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 1.09 0.00 0.00 0.89 0.00 0.00 37 C 8.80 4.53 0.00 3.13 2.85 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 38 T 8.74 4.24 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 1.19 0.00 0.00 39 V 7.41 4.98 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 1.43 0.00 0.00 0.92 0.00 0.00 40 V 7.71 4.87 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 0.94 0.00 0.00 0.96 0.00 0.00 41 R 7.78 4.33 0.00 1.94 1.86 0.00 3.24 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 42 T 8.25 4.93 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 1.22 0.00 0.00 43 V 9.14 4.72 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 0.98 0.00 0.00 0.97 0.00 0.00 44 T 8.24 5.10 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 1.23 0.00 0.00 45 P 0.00 4.65 0.00 2.07 2.23 0.00 3.67 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 46 K 8.62 4.39 0.00 2.05 1.33 0.00 1.32 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.35 7.81 47 K 7.76 4.02 0.00 1.79 1.85 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.39 1.46 7.81 48 P 0.00 5.05 0.00 2.16 2.04 0.00 3.76 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 1.87 1.94 0.00 49 N 8.10 5.13 0.00 2.72 2.74 0.00 0.00 6.51 7.59 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 50 S 8.40 4.55 0.00 3.77 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 51 A 7.86 4.48 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 L 7.96 4.71 0.00 1.55 1.66 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.74 4.28 0.00 1.87 2.12 0.00 3.52 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.86 0.00 54 K 8.58 4.46 0.00 1.55 1.47 0.00 1.49 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.57 1.51 7.81 55 V 7.83 4.78 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 0.83 0.00 0.00 1.06 0.00 0.00 56 A 8.46 4.85 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 57 K 8.91 4.64 0.00 1.81 1.73 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.53 7.81 58 V 8.43 4.84 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 1.01 0.00 0.00 0.99 0.00 0.00 59 R 9.07 4.77 0.00 1.94 1.81 0.00 3.19 0.00 0.00 3.17 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 60 L 9.31 4.68 0.00 1.80 1.66 0.95 -0.04 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 61 T 8.93 4.10 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 1.24 0.00 0.00 62 S 8.11 4.37 0.00 3.94 3.95 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 63 G 7.87 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 64 Y 7.75 4.83 0.00 2.80 2.78 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 65 E 8.65 5.49 0.00 1.77 1.84 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 2.18 2.22 0.00 66 V 8.08 4.66 2.16 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 1.03 0.00 0.00 0.63 0.00 0.00 67 T 8.62 4.73 4.53 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 0.00 0.00 0.00 1.29 0.00 0.00 68 A 9.03 5.06 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 69 Y 9.47 4.25 0.00 3.02 2.66 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 0.00 0.00 0.00 70 I 6.95 4.60 1.49 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.62 0.75 0.00 0.00 71 P 0.00 4.75 0.00 2.56 2.43 0.00 3.80 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 2.14 2.09 0.00 72 G 8.97 3.95 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 0.00 0.00 0.00 73 E 7.87 3.83 0.00 1.91 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 2.18 2.19 0.00 74 G 7.62 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 0.00 0.00 0.00 0.00 75 H 8.47 5.11 0.00 3.22 3.23 0.00 5.47 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.48 4.90 0.00 2.80 2.87 0.00 0.00 5.98 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 77 L 8.11 4.45 0.00 1.75 1.71 0.91 1.06 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 78 Q 8.11 4.42 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.35 7.15 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 79 E 8.46 4.62 0.00 2.02 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 2.38 2.33 0.00 80 H 7.37 5.60 0.00 3.21 3.32 0.00 5.69 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 81 S 7.41 4.70 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.67 4.13 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 0.55 0.00 0.00 0.90 0.00 0.00 83 V 8.52 4.68 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 0.74 0.00 0.00 0.99 0.00 0.00 84 L 8.68 5.09 0.00 1.73 1.45 1.10 0.41 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 85 I 8.76 5.20 2.03 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 1.25 0.97 0.91 0.00 0.00 86 R 8.94 5.14 0.00 2.05 2.46 0.00 2.93 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 87 G 8.77 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 88 G 7.40 3.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 R 7.63 4.18 0.00 1.74 1.82 0.00 3.08 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.46 0.00 90 V 7.59 4.13 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 0.56 0.00 0.00 0.69 0.00 0.00 91 K 7.99 4.41 0.00 1.71 1.73 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.56 7.81 92 D 8.23 4.32 0.00 2.70 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 93 L 7.58 4.54 0.00 1.77 1.68 1.12 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.50 0.00 2.05 1.99 0.00 3.76 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 95 G 8.89 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 96 V 7.45 4.51 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 1.13 0.00 0.00 1.08 0.00 0.00 97 R 8.83 4.51 0.00 0.67 1.42 0.00 3.05 0.00 0.00 3.35 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 98 Y 7.97 5.18 0.00 2.96 3.04 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 99 H 9.24 5.50 0.00 3.19 3.30 0.00 5.80 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 0.00 100 I 8.69 4.49 1.88 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 1.12 0.41 0.94 0.00 0.00 101 V 8.48 3.97 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 0.78 0.00 0.00 0.93 0.00 0.00 102 R 8.36 4.23 0.00 1.92 2.06 0.00 3.49 0.00 0.00 3.38 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.91 0.00 103 G 7.50 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 0.00 104 V 7.23 4.13 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 -0.08 0.00 0.00 0.64 0.00 0.00 105 Y 8.53 3.99 0.00 3.20 2.37 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 0.00 106 D 6.64 4.51 0.00 2.98 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 0.00 107 A 7.89 4.10 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 0.00 108 A 8.46 4.40 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 0.00 109 G 8.31 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 0.00 110 V 7.90 3.85 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 0.70 0.00 0.00 0.94 0.00 0.00 111 K 8.59 4.51 0.00 1.70 1.69 0.00 1.84 0.00 0.00 2.01 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.39 7.81 112 D 8.95 4.58 0.00 2.82 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.36 4.14 0.00 1.78 1.88 0.00 3.27 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 114 K 8.27 4.71 0.00 1.67 1.78 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.66 7.81 115 K 8.52 4.00 0.00 1.76 1.47 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.40 7.81 116 S 9.13 4.63 0.00 4.14 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 0.00 117 R 7.81 4.15 0.00 1.91 2.20 0.00 3.15 0.00 0.00 3.50 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 118 S 8.23 4.11 0.00 3.96 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 0.00 119 K 7.53 4.06 0.00 1.61 1.26 0.00 1.70 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.34 7.81 120 Y 7.82 3.51 0.00 3.33 3.10 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 0.00 121 G 7.07 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 0.00 122 T 7.44 4.48 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 1.43 0.00 0.00 123 K 8.58 3.98 0.00 1.77 1.81 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.39 7.81 124 K 8.45 4.08 0.00 1.72 1.73 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.31 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.43 7.81 125 P 0.00 4.22 0.00 2.21 2.08 0.00 3.82 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 2.18 2.04 0.00 126 K 8.28 4.33 0.00 1.75 1.82 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 127 E 7.70 4.27 0.00 2.07 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 2.31 0.00 128 A 7.78 4.15 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