NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.3189 8.0932 114.6968 57.9273 63.6503 174.4946 2 L 4.1401 8.7394 127.0411 57.1425 41.3299 177.8421 3 L 4.0322 8.5767 122.7821 58.0739 42.5212 178.3066 4 E 4.0763 7.9507 117.7125 59.4733 29.5981 179.1845 5 F 4.6874 8.4492 120.6796 61.2822 39.4935 177.3715 6 G 3.5620 8.5230 105.9104 47.7206 0.0000 175.5990 7 K 4.0587 8.3374 122.1360 59.3742 32.1683 178.8239 8 M 4.1504 8.2077 119.0713 58.4536 31.8897 178.8424 9 I 3.6235 7.6784 119.8060 64.3604 37.3234 178.3392 10 L 4.8935 7.8720 122.3381 57.6155 41.5869 178.7956 11 E 4.0838 7.9956 117.9952 58.9880 29.6438 178.3365 12 E 4.2667 8.3593 117.8154 57.9459 29.8473 177.4407 13 T 4.3205 8.4283 107.7272 60.6770 70.7728 175.6470 14 G 4.2068 7.9126 109.3561 45.6423 0.0000 172.7968 *16 K 4.5684 7.4258 117.5214 55.8955 33.3540 175.0496 17 L 4.4823 8.1078 121.1789 54.2072 42.6210 178.2758 18 A 4.0262 8.7778 125.8023 54.3355 18.6268 177.1396 19 I 4.6159 7.7059 116.4911 59.3395 38.5108 173.3790 20 P 5.4810 0.0000 0.0000 61.8416 31.5179 177.2078 21 S 3.9278 7.8384 117.4616 61.6981 62.6382 174.6401 22 Y 4.7578 7.8573 114.0860 57.2556 39.7229 176.0230 23 S 4.6271 7.9467 114.9876 59.4533 63.8900 175.5663 24 S 4.5688 7.8926 113.8138 58.1801 64.3866 172.4365 25 Y 4.5402 8.2813 123.8302 58.5994 39.5851 176.0562 26 G 3.3886 8.0022 116.7056 46.7376 0.0000 172.5840 27 C 4.4698 8.9407 114.7104 58.0466 40.9514 174.8291 28 Y 4.3440 8.4501 115.4701 58.4794 39.7347 175.9489 29 C 4.9830 8.2770 119.1309 54.0665 39.7913 173.1963 30 G 4.1824 7.1065 120.5002 46.0592 0.0000 170.9292 31 W 4.8919 8.7538 131.8620 58.4004 33.9406 179.0761 32 G 4.0730 8.0055 117.0010 44.0557 0.0000 174.1358 33 G 3.2910 7.9722 112.7523 43.5153 0.0000 172.1817 34 K 5.2730 6.6625 124.1159 54.5718 36.4451 176.6443 35 G 4.1831 8.4702 110.5502 44.5188 0.0000 173.2396 36 T 4.0375 8.1816 115.3990 62.2107 68.8043 173.3812 37 P 4.6067 0.0000 0.0000 62.5264 31.9674 177.7162 38 K 3.6927 8.6366 122.1694 59.3246 32.3133 176.0856 39 D 4.4791 7.1404 112.6819 51.7808 42.4337 175.3464 40 A 4.0030 8.7800 119.7640 56.2225 18.2064 179.8473 41 T 4.0045 8.0996 113.7134 67.0682 68.5162 176.1291 42 D 4.5684 8.8227 119.8751 57.4930 41.2901 178.3761 43 R 3.9738 8.4578 119.0604 59.4061 30.0339 178.1402 44 C 4.1482 8.5064 116.6111 60.5841 40.6571 175.7721 45 C 4.3057 8.2011 117.8897 59.5732 40.7840 175.9473 46 F 3.7281 8.2857 122.5867 61.2954 38.9030 177.4005 47 V 3.2012 8.2284 118.1031 66.0545 31.2278 177.4414 48 H 3.8096 8.0365 118.0954 59.0571 29.5577 177.0864 49 D 4.1266 7.9759 121.0320 57.3769 40.6415 178.0647 50 C 4.0202 7.7224 117.0578 59.8189 39.8590 175.3117 51 C 4.0916 7.8533 119.3512 59.9483 43.9148 174.9862 52 Y 4.4038 7.7681 118.3975 61.0942 37.2121 178.6952 53 G 3.6698 8.4078 105.9797 47.4918 0.0000 174.2881 54 N 4.8080 7.6584 116.4937 52.5905 39.8985 175.7468 55 L 4.8163 7.6143 119.2967 52.7953 41.4980 175.1132 56 P 4.1677 0.0000 0.0000 65.6873 32.1610 178.3525 *59 D 4.7200 7.8754 115.6375 53.2141 41.1824 175.3005 *61 C 5.3234 7.4929 116.5019 57.6054 38.2484 172.4817 *67 N 4.8027 7.9839 113.5577 52.7633 38.5722 173.1367 68 P 3.8847 0.0000 0.0000 65.4248 32.0986 178.5489 69 K 4.1306 7.8147 116.9575 59.6017 31.7872 178.9763 70 S 4.3819 7.6341 112.2079 59.9214 63.8142 173.1718 71 D 4.3221 7.4716 122.5376 53.2920 41.8090 176.6080 72 R 4.5960 8.1567 123.1796 54.8872 32.9918 173.8956 73 Y 4.8009 7.5102 115.4848 56.5354 40.8470 173.4055 74 K 4.9552 8.2261 119.0135 55.1316 35.4189 174.7979 75 Y 4.8311 8.0386 117.7324 57.2062 40.5006 172.5129 76 K 4.6461 8.9976 118.7679 55.3488 37.5883 174.9528 77 R 4.9166 8.4664 116.8386 54.8206 31.5442 175.7262 78 V 3.8919 8.2728 124.8125 61.7120 31.3550 175.5428 79 N 3.9695 9.4453 127.1657 53.2116 35.0629 173.1453 80 G 4.0808 7.4989 110.5489 46.0731 0.0000 173.6408 81 A 4.2722 7.7605 120.2827 50.8933 19.7358 176.2778 82 I 4.2934 7.9480 120.2078 60.9779 38.5789 176.3324 83 V 4.3684 8.9029 125.4548 61.3241 34.4485 173.7003 84 C 4.9086 8.8546 126.1814 56.6547 40.8884 173.6144 85 E 4.2363 8.8480 124.6981 55.6913 31.1158 176.9053 86 K 4.1452 8.5656 121.7231 55.1251 31.3298 176.5928 *88 G 4.5639 7.9591 114.3906 45.1012 0.0000 170.9962 89 T 4.1238 8.2929 111.0971 61.4570 70.9873 175.4046 90 S 4.0634 8.7500 119.2755 62.3703 62.7553 177.8878 91 C 4.1984 8.1185 118.2412 60.2905 34.5979 175.9917 92 E 3.7817 8.1131 119.7949 59.1085 29.0627 179.1459 93 N 4.2810 8.6420 117.2795 56.0755 38.5043 177.7094 94 R 3.8751 8.4282 119.8624 59.0912 30.2714 178.8766 95 I 3.6027 7.8114 119.9286 64.5189 36.9854 177.6084 96 C 3.4894 7.3782 118.7031 59.5182 39.9606 175.5791 97 E 3.7078 7.7090 119.5771 59.3729 28.8363 178.7767 98 C 4.1895 8.3344 117.0948 59.9753 40.1342 175.8685 99 D 3.7266 7.9616 120.5417 56.9077 40.4290 178.6069 100 K 3.7799 8.2396 120.3334 59.4775 32.1783 178.6888 101 A 3.8837 7.8652 120.7427 54.9037 18.1704 179.5549 102 A 3.4546 7.5850 118.7697 55.1022 18.3688 179.6969 103 A 3.7114 8.0683 119.5584 55.4571 18.4572 179.9978 104 I 3.6554 7.7860 118.2072 64.2405 37.0742 177.9528 105 C 4.2044 7.9694 119.6140 59.6331 43.2482 175.2728 106 F 4.4203 8.1305 118.7826 60.7639 38.8217 176.9998 107 R 4.0986 8.3517 118.1840 59.9206 29.6292 178.1968 108 Q 4.0659 8.2396 116.3798 58.9491 28.9492 178.3453 109 N 5.0489 7.9866 115.2995 53.3593 38.9949 176.9758 110 L 4.1130 7.9802 124.7906 57.8409 41.4560 178.7352 111 N 4.5970 8.2885 114.4767 54.7667 37.2840 175.1830 112 T 4.5992 8.0487 107.4849 60.9760 69.7537 173.4072 113 Y 4.1288 8.0650 124.2156 58.2616 39.4841 175.1929 114 S 4.6852 8.6219 121.6009 55.9682 64.8870 174.9446 115 K 3.9995 8.5989 127.0008 59.3131 32.0055 178.9213 116 K 4.0333 7.6529 115.9009 58.7352 32.7210 176.7961 117 Y 4.6108 7.1554 116.7421 58.2800 38.2554 175.3908 118 M 4.4231 7.5537 120.1869 55.7101 32.7858 175.5852 119 L 3.6703 8.6450 119.5198 55.8207 39.9585 174.6115 120 Y 4.0329 7.9769 120.0535 56.4986 39.3026 173.3260 121 P 4.3647 0.0000 0.0000 62.3280 32.1193 176.8509 122 D 4.2717 8.8172 123.0940 56.7899 41.4373 177.6303 *124 F 4.3097 7.9012 112.3130 56.6411 39.5349 175.7747 125 L 3.5836 6.8627 119.0508 55.5812 41.4674 175.9815 126 C 4.7675 8.5591 118.0544 55.1253 34.7821 173.2433 127 K 4.5584 8.1774 123.7609 55.4123 35.4661 173.9427 128 G 3.6152 8.7512 113.5351 45.1969 0.0000 171.9937 129 E 4.2480 8.4894 125.5520 56.1686 29.7355 176.9129 130 L 4.5787 7.8475 123.2780 54.1629 43.1491 175.8099 131 K 4.5242 8.2619 122.7278 55.0679 33.9999 177.3885 *133 C 4.5659 8.6390 118.9720 57.4186 41.5299 173.7507 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 S 8.09 5.32 0.00 4.19 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 2 L 8.74 4.14 0.00 1.92 1.85 1.06 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.58 4.03 0.00 1.69 1.61 0.91 0.88 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 4 E 7.95 4.08 0.00 1.74 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 1.83 2.26 0.00 5 F 8.45 4.69 0.00 3.37 3.19 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 6 G 8.52 3.56 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 0.00 7 K 8.34 4.06 0.00 1.92 2.15 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.77 1.56 7.81 8 M 8.21 4.15 0.00 2.14 2.37 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.23 0.00 9 I 7.68 3.62 1.80 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.15 0.68 0.00 0.00 10 L 7.87 4.89 0.00 1.77 1.81 0.95 0.61 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 11 E 8.00 4.08 0.00 2.20 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 2.39 2.69 0.00 12 E 8.36 4.27 0.00 1.98 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 2.52 2.45 0.00 13 T 8.43 4.32 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 1.27 0.00 0.00 14 G 7.91 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 *16 K 7.43 4.57 0.00 1.88 1.68 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.26 7.81 17 L 8.11 4.48 0.00 1.77 1.72 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.78 4.03 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 19 I 7.71 4.62 1.90 0.00 0.00 0.94 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 1.02 0.95 0.00 0.00 20 P 0.00 5.48 0.00 2.22 2.25 0.00 3.87 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 1.99 1.92 0.00 21 S 7.84 3.93 0.00 3.83 3.40 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 22 Y 7.86 4.76 0.00 2.78 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 23 S 7.95 4.63 0.00 3.94 4.31 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 24 S 7.89 4.57 0.00 4.04 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 25 Y 8.28 4.54 0.00 3.10 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 26 G 8.00 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 27 C 8.94 4.47 0.00 2.92 2.79 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 28 Y 8.45 4.34 0.00 3.24 3.15 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 29 C 8.28 4.98 0.00 3.38 3.57 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 30 G 7.11 4.18 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 0.00 31 W 8.75 4.89 0.00 3.29 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 32 G 8.01 4.07 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 33 G 7.97 3.29 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 0.00 34 K 6.66 5.27 0.00 1.81 1.70 0.00 1.84 0.00 0.00 2.44 0.00 0.00 3.36 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.45 7.81 35 G 8.47 4.18 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 0.00 36 T 8.18 4.04 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 1.13 0.00 0.00 37 P 0.00 4.61 0.00 2.07 2.00 0.00 3.37 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.82 0.00 38 K 8.64 3.69 0.00 0.79 0.74 0.00 1.61 0.00 0.00 1.20 0.00 0.00 2.63 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.82 0.21 7.81 39 D 7.14 4.48 0.00 2.95 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 40 A 8.78 4.00 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 41 T 8.10 4.00 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 0.88 0.00 0.00 42 D 8.82 4.57 0.00 3.04 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 43 R 8.46 3.97 0.00 2.11 2.01 0.00 3.19 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.87 0.00 44 C 8.51 4.15 0.00 3.39 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 45 C 8.20 4.31 0.00 3.34 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.29 3.73 0.00 2.48 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 47 V 8.23 3.20 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 0.87 0.00 0.00 0.95 0.00 0.00 48 H 8.04 3.81 0.00 3.14 3.22 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.98 4.13 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.72 4.02 0.00 2.76 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 51 C 7.85 4.09 0.00 2.92 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.77 4.40 0.00 3.05 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.41 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 54 N 7.66 4.81 0.00 2.78 2.79 0.00 0.00 6.80 7.88 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 55 L 7.61 4.82 0.00 1.58 1.50 0.84 1.21 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 56 P 0.00 4.17 0.00 2.19 2.29 0.00 3.76 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 2.09 1.93 0.00 *59 D 7.88 4.72 0.00 2.88 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 *61 C 7.49 5.32 0.00 2.92 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 *67 N 7.98 4.80 0.00 2.77 2.78 0.00 0.00 7.60 8.03 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 68 P 0.00 3.88 0.00 0.72 0.49 0.00 3.42 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 69 K 7.81 4.13 0.00 1.83 1.93 0.00 1.75 0.00 0.00 2.04 0.00 0.00 3.14 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.73 1.43 7.81 70 S 7.63 4.38 0.00 3.99 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 71 D 7.47 4.32 0.00 2.58 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.16 4.60 0.00 1.81 1.81 0.00 3.28 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 73 Y 7.51 4.80 0.00 3.07 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 74 K 8.23 4.96 0.00 1.72 1.87 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.76 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.36 7.81 75 Y 8.04 4.83 0.00 2.97 3.14 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 76 K 9.00 4.65 0.00 1.69 1.73 0.00 1.56 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 1.51 7.81 77 R 8.47 4.92 0.00 1.81 2.05 0.00 3.05 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 78 V 8.27 3.89 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 0.81 0.00 0.00 0.95 0.00 0.00 79 N 9.45 3.97 0.00 2.83 2.84 0.00 0.00 7.35 7.65 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 80 G 7.50 4.08 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 0.00 0.00 0.00 81 A 7.76 4.27 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 82 I 7.95 4.29 1.85 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.83 0.83 0.00 0.00 83 V 8.90 4.37 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 1.02 0.00 0.00 0.96 0.00 0.00 84 C 8.85 4.91 0.00 2.97 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.85 4.24 0.00 2.07 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 0.00 2.33 2.38 0.00 86 K 8.57 4.15 0.00 1.83 1.76 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.38 7.81 *88 G 7.96 4.56 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 0.00 89 T 8.29 4.12 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 1.30 0.00 0.00 90 S 8.75 4.06 0.00 3.86 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 91 C 8.12 4.20 0.00 2.94 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 92 E 8.11 3.78 0.00 2.16 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 2.69 2.37 0.00 93 N 8.64 4.28 0.00 2.77 2.79 0.00 0.00 6.90 7.99 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 94 R 8.43 3.88 0.00 1.79 1.89 0.00 3.08 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 95 I 7.81 3.60 1.71 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 1.22 0.84 1.07 0.00 0.00 96 C 7.38 3.49 0.00 2.09 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 97 E 7.71 3.71 0.00 2.07 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 2.43 2.41 0.00 98 C 8.33 4.19 0.00 3.15 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 99 D 7.96 3.73 0.00 2.81 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 0.00 100 K 8.24 3.78 0.00 1.65 1.89 0.00 1.57 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.39 7.81 101 A 7.87 3.88 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 0.00 102 A 7.58 3.45 0.89 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 0.00 0.00 103 A 8.07 3.71 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 0.00 104 I 7.79 3.66 1.88 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 1.38 0.60 0.88 0.00 0.00 105 C 7.97 4.20 0.00 3.06 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 0.00 106 F 8.13 4.42 0.00 3.00 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 0.00 107 R 8.35 4.10 0.00 1.97 2.13 0.00 3.13 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 108 Q 8.24 4.07 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.08 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 109 N 7.99 5.05 0.00 2.87 2.91 0.00 0.00 7.06 6.90 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 0.00 110 L 7.98 4.11 0.00 1.86 1.76 0.93 0.55 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 0.00 111 N 8.29 4.60 0.00 2.87 2.99 0.00 0.00 5.79 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 0.00 112 T 8.05 4.60 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 1.27 0.00 0.00 113 Y 8.07 4.13 0.00 2.99 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 0.00 114 S 8.62 4.69 0.00 3.69 3.24 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 0.00 115 K 8.60 4.00 0.00 1.77 1.83 0.00 1.82 0.00 0.00 2.09 0.00 0.00 3.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.40 7.81 116 K 7.65 4.03 0.00 1.66 1.75 0.00 1.15 0.00 0.00 1.45 0.00 0.00 2.64 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.97 0.51 7.81 117 Y 7.16 4.61 0.00 1.97 1.63 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 0.00 118 M 7.55 4.42 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.65 0.00 119 L 8.64 3.67 0.00 1.78 1.76 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.98 4.03 0.00 3.07 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 0.00 121 P 0.00 4.36 0.00 2.40 2.24 0.00 2.91 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 1.32 1.80 0.00 122 D 8.82 4.27 0.00 2.84 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 *124 F 7.90 4.31 0.00 3.16 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 0.00 125 L 6.86 3.58 0.00 1.16 1.49 0.20 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.56 4.77 0.00 3.08 3.18 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 0.00 127 K 8.18 4.56 0.00 1.77 1.66 0.00 1.70 0.00 0.00 1.86 0.00 0.00 3.17 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.39 7.81 128 G 8.75 3.62 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 0.00 129 E 8.49 4.25 0.00 2.05 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 0.00 2.44 2.29 0.00 130 L 7.85 4.58 0.00 1.56 1.54 0.80 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.26 4.52 0.00 1.81 1.76 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.48 7.81 *133 C 8.64 4.57 0.00 2.93 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 * Residues marked with a * may have inaccurate shift predictions.