NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 3.8915 8.0544 114.0614 61.7652 32.1769 172.9501 8 D 4.1058 8.5731 128.6704 51.7421 38.4901 171.3944 9 P 4.4488 0.0000 0.0000 64.2590 32.7978 177.3531 10 R 4.4629 8.2096 117.0302 55.8465 30.2358 175.8488 11 A 4.5041 7.4558 121.3428 50.4216 19.9232 178.0389 12 K 4.0159 8.5203 121.3204 56.1295 32.7515 176.6975 13 W 4.4994 8.8469 135.0000 58.0650 31.0943 176.2022 14 Q 4.1351 7.0881 122.4733 53.8844 28.4602 172.4225 15 P 4.1232 0.0000 0.0000 62.8000 32.3995 175.8359 16 Q 4.7416 8.8749 117.3903 54.6531 31.7407 174.4365 17 D 5.4042 8.4106 115.6311 54.0789 41.2779 174.8445 18 N 4.9917 10.4227 113.2510 52.0642 39.0572 174.1530 19 D 4.2831 7.9993 119.2523 53.6776 42.1945 175.3859 20 I 2.8163 7.9915 120.9189 62.4493 37.8421 176.6513 21 Q 4.3618 8.0800 119.3229 55.5390 29.0673 174.9142 22 A 4.8648 7.4495 122.0578 50.3372 21.1025 177.6732 23 C 4.7533 8.9459 117.9913 58.8957 38.3279 174.0745 24 D 4.8226 8.0304 118.8921 52.9960 40.7845 175.2317 25 Y 4.7625 8.2676 122.1755 57.7163 39.1777 176.4550 26 W 4.6542 8.4148 124.8701 60.1091 27.8645 177.8766 27 R 3.4511 5.8667 117.1936 58.2102 29.9348 176.6957 28 H 4.9980 8.1192 114.4205 55.9986 28.8668 174.1883 29 C 2.9076 8.3774 116.9425 57.4376 42.1186 174.7709 30 S 4.9299 8.1186 112.8823 56.5297 63.3694 173.7948 31 I 3.3416 7.5334 118.5153 60.1707 39.1520 174.2248 32 D 4.8735 8.6882 127.0851 52.4480 43.9497 172.2144 33 G 4.2289 8.0436 114.7604 44.4583 0.0000 175.2829 34 N 5.4774 9.8305 122.6773 50.9122 42.3171 173.3799 35 I 4.3033 8.2711 122.9208 61.0971 38.0221 177.0069 36 C 4.3231 8.4879 121.7163 59.7673 38.7447 175.5370 37 D 4.1000 8.1361 118.7863 56.9574 40.8232 177.7554 38 C 4.8583 7.9744 114.7842 57.0944 40.2681 173.8261 39 S 4.5704 7.8180 113.8327 58.2991 62.7931 174.8422 40 G 4.0370 8.7994 108.9875 46.1214 0.0000 174.3702 41 G 4.5291 7.5584 110.8554 44.8524 0.0000 171.5527 42 S 4.7876 8.2716 114.8076 56.5179 66.2681 174.4923 43 L 4.2277 8.5348 120.6750 57.8179 41.8527 178.1683 44 T 4.6025 7.3912 103.5252 60.7174 70.1068 173.0833 45 N 5.0688 7.9426 119.2268 51.7118 41.7550 173.2176 46 C 4.8535 8.3212 117.4407 55.4021 37.6185 172.1974 47 P 4.7499 0.0000 0.0000 60.8363 31.7073 174.4478 48 P 4.1847 0.0000 0.0000 64.3121 31.6662 176.4743 49 G 4.0946 8.9578 110.5212 45.4056 0.0000 173.6728 50 T 4.4166 6.7591 109.1444 60.9005 70.6968 174.2928 51 K 4.6042 8.9396 121.3032 54.3075 34.9610 175.6504 52 L 4.4325 8.4806 127.1962 54.7423 43.1328 176.1679 53 A 4.7805 8.6295 128.7094 52.2543 19.1015 176.9628 54 T 4.3858 8.9414 108.8134 62.8937 70.7737 175.5124 55 A 4.6504 8.1511 124.8093 52.0483 20.2189 175.7363 56 S 4.9299 7.1483 114.2978 59.0873 66.3043 175.7857 *58 V 4.6741 8.5717 113.1870 61.7254 32.8592 174.4317 59 A 4.9960 8.2281 121.5426 51.0175 22.7457 175.2106 60 S 5.2261 8.8272 115.2435 56.9879 64.9019 174.0556 61 C 5.3326 9.3872 122.7915 54.9271 41.6879 172.7049 62 Y 4.7935 9.0147 124.5552 57.6651 39.8717 173.7825 63 N 3.5510 9.9189 126.8223 50.9415 38.7442 173.8310 64 P 3.9219 0.0000 0.0000 65.2680 31.8933 178.2647 65 T 3.9127 7.8280 116.3853 65.9662 68.3694 175.2248 66 D 4.4962 7.5949 117.0024 52.4783 40.2101 177.0933 67 G 4.4364 8.1167 108.4439 45.9112 0.0000 172.9407 68 Q 4.7121 8.0887 118.8207 54.0150 32.4361 174.3839 69 S 5.3907 8.1220 114.9521 57.2710 66.3623 173.2308 70 Y 5.1226 9.1130 120.2640 56.0523 42.8511 174.1962 71 L 4.8143 10.2223 124.3551 54.6713 43.5558 175.3661 72 I 4.5605 9.1113 128.1212 59.7967 39.0364 174.7444 73 A 4.2841 7.9056 129.7935 50.4999 19.8507 176.3756 74 Y 4.6544 8.0748 120.1112 57.8796 37.9454 174.6124 75 R 4.9543 8.2756 122.8360 54.3817 32.5552 175.1768 76 D 5.4183 8.7821 121.8712 53.2505 43.9781 175.7627 77 C 5.2350 8.8862 119.0794 55.8774 40.6710 172.5306 78 C 5.0983 9.6008 120.8791 55.0516 44.8408 174.8009 79 G 4.2011 9.7284 105.8306 45.6864 0.0000 172.6642 80 Y 4.7289 7.3857 114.7939 55.7424 42.1058 174.3446 81 N 4.6685 8.4734 119.6883 52.5418 39.8710 174.9288 82 V 3.8331 8.4070 121.7882 62.1975 31.6554 176.4686 83 S 4.0937 8.1156 118.2272 60.3015 62.8228 175.8797 84 G 3.9463 7.8557 106.6168 45.0156 0.0000 172.9200 85 R 4.5153 7.3644 118.0114 55.5333 33.0235 175.4305 86 C 4.2517 8.6023 117.4128 57.5028 37.4447 170.7286 87 P 5.2830 0.0000 0.0000 62.8022 32.6821 178.0870 88 C 5.0320 9.5357 119.1790 55.7834 45.4853 173.4016 89 L 4.7555 8.3777 123.2208 54.4862 43.2811 174.3365 90 N 5.1401 9.4074 124.8231 50.9008 42.4481 174.9814 91 T 4.3458 7.6959 111.1968 61.2593 69.2346 174.3593 92 E 3.7401 8.1953 122.8655 58.7425 28.3592 177.0485 93 G 3.7634 8.5962 112.1344 45.7373 0.0000 171.0818 94 E 4.3930 7.8805 120.4487 55.7042 30.0958 176.1646 95 L 4.6886 8.2711 126.4641 52.1152 44.7519 174.1230 96 P 4.4304 0.0000 0.0000 62.2824 32.0261 178.1305 97 V 3.6463 8.4202 120.3168 64.9274 31.1002 176.7789 98 Y 4.5264 7.4730 115.8205 57.8920 38.7844 175.7235 99 R 4.7887 7.6798 119.3005 54.0498 30.8689 174.1552 100 P 4.4944 0.0000 0.0000 65.7715 31.9261 178.7459 101 E 3.5088 8.2872 118.6517 58.4335 29.4831 177.1444 102 F 4.8899 8.4469 115.7690 56.8221 39.9749 173.6460 103 A 4.9658 8.4024 124.8750 50.7759 19.9522 177.4735 104 N 4.9390 8.9267 119.8326 52.8798 37.7900 175.4596 105 D 4.6302 7.8148 118.0689 55.3243 41.7114 176.9111 106 I 3.4474 7.1406 120.0298 60.7425 37.5346 175.8551 107 I 3.8038 7.4816 125.2801 60.2334 36.7117 176.4997 108 W 5.1294 8.0919 130.5882 57.0363 28.8813 176.9356 109 C 4.6438 7.6262 115.1634 56.9748 41.5686 174.4136 110 F 4.5477 7.7573 119.3909 59.6119 38.8038 176.0859 111 G 4.5155 9.4870 112.9234 46.4446 0.0000 173.7567 112 A 4.9378 7.8200 122.2344 51.4823 19.1499 177.0536 113 E 4.1250 8.5863 120.0264 56.8986 30.1935 177.1366 114 D 4.2492 9.5077 116.5925 55.0203 38.7460 174.0391 115 D 4.5220 7.8834 114.8969 54.8550 38.5691 173.9360 116 A 4.0988 7.9912 122.8080 53.0248 18.4190 178.2792 117 M 4.6887 8.5045 120.4644 54.6914 34.1963 175.4755 118 T 4.3598 7.6384 110.5261 61.1421 70.8696 173.0726 119 Y 4.2614 8.5936 126.1965 57.7972 39.3132 172.8240 120 H 4.6478 7.9787 125.3528 56.9510 32.1302 171.2697 121 C 4.8264 6.9130 109.7558 54.8874 43.4427 171.6921 122 T 5.3552 8.7097 115.6920 61.7975 70.9227 174.1604 123 I 4.3673 8.6828 119.3944 59.3810 40.1867 175.2341 124 S 4.9836 8.5178 117.1792 56.8341 61.6980 172.6357 125 P 4.5059 0.0000 0.0000 62.5620 33.4920 177.0685 126 I 4.5251 8.1552 122.4664 60.7284 37.9019 176.0018 127 V 4.2518 10.3426 125.2535 60.9210 32.6007 175.6750 128 G 4.3603 7.7537 110.8574 44.1545 0.0000 171.7815 129 K 4.2750 7.9575 121.0280 55.6880 33.0828 176.5199 130 A 5.1210 8.0894 123.9442 51.3903 19.2634 176.0787 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 7 V 8.05 3.89 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 0.87 0.00 0.00 0.94 0.00 0.00 8 D 8.57 4.11 0.00 2.93 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 9 P 0.00 4.45 0.00 2.24 2.19 0.00 3.81 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 2.00 2.00 0.00 10 R 8.21 4.46 0.00 1.97 1.99 0.00 3.16 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 11 A 7.46 4.50 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 12 K 8.52 4.02 0.00 1.76 1.80 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.52 1.68 7.81 13 W 8.85 4.50 0.00 3.48 3.06 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 0.00 0.00 0.00 14 Q 7.09 4.14 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.03 2.18 0.00 15 P 0.00 4.12 0.00 2.29 2.23 0.00 3.55 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.23 0.00 16 Q 8.87 4.74 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 7.01 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 17 D 8.41 5.40 0.00 2.60 2.63 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 18 N 10.42 4.99 0.00 2.84 2.89 0.00 0.00 6.53 7.94 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 19 D 8.00 4.28 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 20 I 7.99 2.82 1.34 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.54 0.23 0.00 0.00 21 Q 8.08 4.36 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 22 A 7.45 4.86 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 23 C 8.95 4.75 0.00 3.12 3.32 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 24 D 8.03 4.82 0.00 2.64 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 25 Y 8.27 4.76 0.00 3.41 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 26 W 8.41 4.65 0.00 3.64 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 27 R 5.87 3.45 0.00 1.38 1.63 0.00 3.01 0.00 0.00 2.91 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 28 H 8.12 5.00 0.00 3.64 3.43 0.00 5.64 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.38 2.91 0.00 2.35 3.66 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 30 S 8.12 4.93 0.00 3.86 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 31 I 7.53 3.34 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.70 0.86 0.00 0.00 32 D 8.69 4.87 0.00 2.49 2.40 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 33 G 8.04 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 0.00 0.00 0.00 0.00 34 N 9.83 5.48 0.00 2.69 2.78 0.00 0.00 7.41 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 35 I 8.27 4.30 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.57 0.95 0.00 0.00 36 C 8.49 4.32 0.00 3.15 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 37 D 8.14 4.10 0.00 2.70 2.63 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 38 C 7.97 4.86 0.00 3.00 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 39 S 7.82 4.57 0.00 3.93 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 40 G 8.80 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 41 G 7.56 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 0.00 0.00 0.00 0.00 42 S 8.27 4.79 0.00 3.94 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 43 L 8.53 4.23 0.00 1.66 1.66 0.85 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.39 4.60 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 1.18 0.00 0.00 45 N 7.94 5.07 0.00 2.72 2.68 0.00 0.00 6.94 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 46 C 8.32 4.85 0.00 2.90 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 47 P 0.00 4.75 0.00 1.90 1.99 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 1.97 1.99 0.00 48 P 0.00 4.18 0.00 2.03 1.96 0.00 3.91 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 1.99 1.94 0.00 49 G 8.96 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 50 T 6.76 4.42 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 0.43 0.00 0.00 51 K 8.94 4.60 0.00 1.76 1.74 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.69 7.81 52 L 8.48 4.43 0.00 1.73 1.55 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.63 4.78 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 54 T 8.94 4.39 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 1.24 0.00 0.00 55 A 8.15 4.65 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 0.00 0.00 56 S 7.15 4.93 0.00 3.91 3.54 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 *58 V 8.57 4.67 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 0.36 0.00 0.00 0.68 0.00 0.00 59 A 8.23 5.00 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 60 S 8.83 5.23 0.00 4.17 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 61 C 9.39 5.33 0.00 3.23 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 62 Y 9.01 4.79 0.00 3.23 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 63 N 9.92 3.55 0.00 1.44 2.42 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 64 P 0.00 3.92 0.00 2.11 2.13 0.00 2.87 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.90 0.00 65 T 7.83 3.91 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 1.09 0.00 0.00 66 D 7.59 4.50 0.00 2.70 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 67 G 8.12 4.44 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 0.00 68 Q 8.09 4.71 0.00 1.65 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.53 6.70 0.00 0.00 0.00 0.00 0.00 2.20 2.57 0.00 69 S 8.12 5.39 0.00 3.75 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 70 Y 9.11 5.12 0.00 3.15 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 71 L 10.22 4.81 0.00 1.88 1.64 0.90 1.25 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 72 I 9.11 4.56 1.31 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 1.29 0.70 0.42 0.00 0.00 73 A 7.91 4.28 1.09 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 74 Y 8.07 4.65 0.00 2.99 2.99 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 75 R 8.28 4.95 0.00 1.80 1.88 0.00 3.61 0.00 0.00 3.44 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.47 0.00 76 D 8.78 5.42 0.00 2.87 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 77 C 8.89 5.23 0.00 2.76 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 78 C 9.60 5.10 0.00 2.79 3.20 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 79 G 9.73 4.20 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 0.00 80 Y 7.39 4.73 0.00 2.63 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 81 N 8.47 4.67 0.00 2.68 2.71 0.00 0.00 6.97 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 82 V 8.41 3.83 2.24 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 0.85 0.00 0.00 1.15 0.00 0.00 83 S 8.12 4.09 0.00 3.92 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 84 G 7.86 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 0.00 0.00 0.00 85 R 7.36 4.52 0.00 1.74 1.82 0.00 3.32 0.00 0.00 3.44 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 86 C 8.60 4.25 0.00 3.10 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 87 P 0.00 5.28 0.00 2.08 2.06 0.00 3.75 0.00 0.00 3.56 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 88 C 9.54 5.03 0.00 2.78 2.98 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 89 L 8.38 4.76 0.00 1.56 1.50 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 90 N 9.41 5.14 0.00 2.45 2.22 0.00 0.00 6.18 7.07 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 91 T 7.70 4.35 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 1.13 0.00 0.00 92 E 8.20 3.74 0.00 1.77 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 1.73 1.47 0.00 93 G 8.60 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 0.00 0.00 0.00 94 E 7.88 4.39 0.00 2.01 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 2.59 2.42 0.00 95 L 8.27 4.69 0.00 1.57 1.45 0.59 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.43 0.00 1.27 1.90 0.00 3.36 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.03 0.00 97 V 8.42 3.65 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 0.82 0.00 0.00 0.94 0.00 0.00 98 Y 7.47 4.53 0.00 3.17 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 99 R 7.68 4.79 0.00 1.87 1.99 0.00 3.44 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 1.44 1.60 0.00 100 P 0.00 4.49 0.00 2.62 2.58 0.00 3.80 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.10 0.00 101 E 8.29 3.51 0.00 1.65 1.12 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 1.73 2.00 0.00 102 F 8.45 4.89 0.00 3.13 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 0.00 103 A 8.40 4.97 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 0.00 104 N 8.93 4.94 0.00 2.78 2.92 0.00 0.00 7.03 8.08 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 0.00 105 D 7.81 4.63 0.00 2.59 2.64 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 0.00 106 I 7.14 3.45 0.68 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 1.18 0.29 -0.17 0.00 0.00 107 I 7.48 3.80 1.63 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.26 0.85 0.00 0.00 108 W 8.09 5.13 0.00 3.36 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 0.00 109 C 7.63 4.64 0.00 2.81 3.23 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 0.00 110 F 7.76 4.55 0.00 3.26 3.05 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 0.00 0.00 0.00 0.00 111 G 9.49 4.52 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 0.00 0.00 0.00 112 A 7.82 4.94 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 0.00 113 E 8.59 4.13 0.00 2.06 1.91 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 2.41 2.35 0.00 114 D 9.51 4.25 0.00 2.82 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 0.00 115 D 7.88 4.52 0.00 2.91 2.84 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 0.00 116 A 7.99 4.10 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 0.00 117 M 8.50 4.69 0.00 1.87 2.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 118 T 7.64 4.36 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 1.22 0.00 0.00 119 Y 8.59 4.26 0.00 2.98 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 0.00 120 H 7.98 4.65 0.00 3.13 3.22 0.00 5.87 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 C 6.91 4.83 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 0.00 122 T 8.71 5.36 4.38 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 1.49 0.00 0.00 123 I 8.68 4.37 1.98 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 1.39 0.91 0.93 0.00 0.00 124 S 8.52 4.98 0.00 3.72 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 0.00 125 P 0.00 4.51 0.00 2.06 2.12 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 126 I 8.16 4.53 1.83 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.45 1.04 0.00 0.00 127 V 10.34 4.25 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 0.65 0.00 0.00 0.88 0.00 0.00 128 G 7.75 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.96 4.28 0.00 1.68 1.62 0.00 1.63 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.11 0.78 7.81 130 A 8.09 5.12 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 * Residues marked with a * may have inaccurate shift predictions.