NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2959 8.1744 117.3718 63.6569 69.6585 173.8132 3 N 4.6954 8.3224 124.5142 52.0179 40.2396 170.3417 4 R 4.8569 8.4352 123.0068 54.2176 34.0554 172.6848 5 L 4.7578 9.1955 128.7442 53.1337 45.0420 174.9161 6 V 4.6760 8.4414 125.6642 61.0562 33.6835 174.3628 7 L 4.7433 9.0404 130.5142 53.4298 45.0881 175.7620 8 S 4.9849 8.7671 120.9515 57.2591 65.0249 174.2003 9 G 3.9720 7.6709 107.8813 46.2082 0.0000 171.1869 10 T 5.0226 7.8177 115.5708 61.2967 72.1410 173.9051 11 V 4.2053 8.8840 127.2776 63.6461 32.1500 175.6922 12 C 4.6849 9.1747 123.1821 58.2269 30.4299 173.9016 13 R 4.6739 7.7130 118.9289 54.2621 33.6043 174.2941 14 A 4.2011 8.9607 125.8381 51.8329 19.0067 175.3116 15 P 4.6327 0.0000 0.0000 62.8003 32.3884 175.4872 16 L 4.6476 9.4730 126.6209 53.4887 44.0674 174.9617 17 R 5.0549 8.5955 125.3475 54.6249 31.9895 175.7598 18 K 4.6995 8.8887 122.0274 54.5367 37.1078 175.4500 19 V 4.8098 8.1154 120.9684 60.9643 33.9011 175.6155 20 S 4.4434 9.1706 123.3936 57.3125 63.6673 173.4686 21 P 4.4264 0.0000 0.0000 65.7459 31.0924 177.8975 22 S 4.1640 7.9500 110.8358 59.3642 62.5465 174.5053 23 G 4.0469 8.5586 108.1173 45.2154 0.0000 172.9848 24 I 4.2629 7.8515 122.0541 59.4833 38.6251 173.6070 25 P 5.2798 0.0000 0.0000 62.6082 33.4944 174.5300 26 H 5.4210 8.9486 115.8950 54.5327 32.4947 171.5537 27 C 5.1887 9.3444 121.9408 57.8744 33.8658 172.3271 28 Q 5.2542 9.0707 125.7634 54.3203 31.6769 174.7670 29 F 4.9592 8.2791 116.9042 56.2702 42.2642 172.5368 30 V 4.4823 8.2680 118.8247 60.9660 33.7375 173.7385 31 L 4.8582 8.4370 129.8111 53.5985 43.9792 174.2456 32 E 4.7524 9.1611 128.7508 55.2320 31.2870 173.9849 33 H 5.1742 8.8965 127.5778 54.7268 32.6946 173.5910 34 R 5.2851 7.8628 122.7197 55.2183 34.1928 174.2393 35 S 4.5687 8.9339 117.3956 57.8222 67.1283 173.3045 36 V 4.8624 8.3140 119.8482 61.1437 33.2714 174.3449 37 Q 4.6754 9.4038 128.6279 54.0706 32.3426 173.8199 38 E 4.7291 8.8797 126.9252 56.2409 31.0089 175.8232 39 E 4.4088 10.0383 125.8469 56.3832 32.6408 174.8370 40 A 3.6376 9.8039 129.9387 53.4283 16.1375 177.6575 41 G 4.0042 8.7743 105.3045 46.9995 0.0000 174.1605 42 F 4.7371 8.1308 117.2807 55.6588 43.6269 173.6561 43 H 5.2131 8.9299 119.0011 55.2931 29.4145 174.8895 44 R 4.7796 9.4666 123.1491 54.2931 33.4330 175.0562 45 Q 4.7736 8.7039 123.2310 55.4355 30.0567 174.5140 46 A 4.8720 9.2447 129.3539 50.4057 21.0945 175.4510 47 W 5.7046 8.3623 131.1130 56.3162 34.0890 173.3834 48 C 3.3456 7.0695 117.4380 57.3454 32.5609 172.6114 49 Q 4.9494 7.5348 118.4409 52.6609 32.0191 173.0117 *51 P 4.1779 0.0000 0.0000 62.4652 33.2772 176.0031 52 V 4.5761 8.6163 123.2574 60.9156 34.8563 174.1836 53 I 4.8616 8.1523 127.0117 59.3344 40.9182 174.4716 54 V 4.4212 8.9042 126.8763 61.4188 33.4756 174.3582 55 S 5.1799 9.0268 123.6683 57.7057 66.1134 175.0785 56 G 4.0207 8.9799 108.6187 46.2968 0.0000 174.2388 57 H 4.1371 8.9245 118.9309 58.9125 28.5693 177.8731 58 E 4.1066 8.2377 116.5141 58.4664 29.5221 177.5511 59 N 4.7350 8.0234 116.2971 54.0102 39.1400 176.8102 60 Q 4.2263 7.8944 120.1503 58.4636 28.8755 178.0794 61 A 4.0188 8.0381 123.1358 55.1995 18.5706 178.8536 62 I 4.1173 7.3206 106.1846 62.0665 37.5943 176.4122 63 T 4.4801 7.9566 110.7706 61.4754 69.5666 175.4389 64 H 4.1204 8.1552 118.5023 58.4658 28.3131 176.3211 65 S 4.3617 7.2521 111.7897 57.9006 63.7717 174.0446 66 I 3.6945 7.1635 115.9944 61.0414 37.7759 175.3620 67 T 4.5570 8.8446 120.8333 61.1231 72.8146 173.2519 68 V 3.8616 8.1565 122.2469 64.9294 31.5679 175.9303 69 G 4.0394 9.0810 116.2551 45.1463 0.0000 173.9779 70 S 4.1997 8.3372 117.4669 58.7442 64.2195 173.5241 71 R 5.0400 8.5966 123.6379 54.7106 31.8312 175.3116 72 I 4.9246 8.5518 116.8728 59.7216 42.2577 173.9282 73 T 4.9465 8.5950 118.1871 61.8314 71.4698 173.4500 74 V 4.7310 8.8173 127.1379 61.2422 34.0549 174.1373 75 Q 4.9895 8.6904 128.5971 54.5036 32.0220 174.8777 76 G 4.5637 8.0957 110.8306 46.7271 0.0000 171.6790 77 F 5.5488 7.8603 114.3607 55.0236 41.2016 174.5002 78 I 4.9805 8.3337 113.1092 59.9765 39.6742 174.4854 79 S 4.6952 8.7501 116.9507 57.5808 65.8430 172.6352 80 C 4.9796 8.5737 124.6072 58.2149 32.8590 172.4135 81 H 5.0449 9.2471 122.5237 53.7816 32.6995 172.4389 82 K 4.6389 8.5576 121.8193 55.1843 32.8819 176.4256 83 A 4.3778 9.1202 131.4568 51.1110 19.2701 178.2437 84 K 4.0487 8.4924 118.9164 59.4106 32.6655 178.0154 85 N 4.4514 7.9988 115.7536 53.3795 37.8381 174.7137 86 G 4.1853 8.1901 108.4183 46.1339 0.0000 174.7265 87 L 4.2388 8.2602 119.4340 54.0028 42.4143 175.9942 88 S 5.1327 8.4657 116.7033 57.5735 64.9554 173.4710 89 K 4.4902 8.4857 126.5479 56.1945 34.6843 176.8689 *91 V 4.0246 8.2718 126.9301 63.6664 33.2819 173.5293 92 L 4.7924 8.1386 128.8049 53.7694 43.9234 175.1035 93 H 4.7432 8.7430 125.4305 54.3078 29.1975 174.8274 94 A 4.4247 8.2765 126.4455 52.0608 18.3609 176.3279 95 E 4.5678 9.4626 121.9893 56.9994 32.2161 176.2306 96 Q 4.7657 7.9277 116.0462 54.1599 33.6162 174.6944 97 I 4.9239 8.1877 121.6905 59.8811 40.9595 174.1002 98 E 4.3408 9.2319 129.3707 55.2011 31.0586 175.2146 99 L 4.6675 8.4305 127.5036 53.0932 41.4797 176.9190 100 I 3.7200 8.1046 116.3808 61.4424 38.1286 176.2539 101 D 4.7755 7.5988 127.4676 54.9388 41.2179 173.4455 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 2 T 8.17 4.30 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 1.22 0.00 0.00 3 N 8.32 4.70 0.00 2.77 2.69 0.00 0.00 6.88 6.77 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 4 R 8.44 4.86 0.00 1.83 1.75 0.00 3.26 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 5 L 9.20 4.76 0.00 1.74 1.44 0.88 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.44 4.68 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 0.84 0.00 0.00 0.93 0.00 0.00 7 L 9.04 4.74 0.00 1.65 1.38 0.65 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.77 4.98 0.00 4.04 3.86 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 9 G 7.67 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 0.00 0.00 0.00 10 T 7.82 5.02 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 1.26 0.00 0.00 11 V 8.88 4.21 2.17 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 0.85 0.00 0.00 0.71 0.00 0.00 12 C 9.17 4.68 0.00 3.04 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 13 R 7.71 4.67 0.00 1.90 1.88 0.00 3.23 0.00 0.00 3.38 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 14 A 8.96 4.20 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 15 P 0.00 4.63 0.00 1.93 2.02 0.00 3.60 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.86 0.00 16 L 9.47 4.65 0.00 1.73 1.65 0.92 1.11 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 17 R 8.60 5.05 0.00 1.71 1.81 0.00 3.20 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 18 K 8.89 4.70 0.00 1.18 1.54 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.26 7.81 19 V 8.12 4.81 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 0.84 0.00 0.00 0.92 0.00 0.00 20 S 9.17 4.44 0.00 4.04 4.03 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 21 P 0.00 4.43 0.00 2.07 2.18 0.00 3.69 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 2.04 2.10 0.00 22 S 7.95 4.16 0.00 3.84 3.89 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 23 G 8.56 4.05 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 0.00 0.00 0.00 24 I 7.85 4.26 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 1.30 0.99 0.89 0.00 0.00 25 P 0.00 5.28 0.00 2.09 2.13 0.00 3.44 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 1.88 1.85 0.00 26 H 8.95 5.42 0.00 3.22 3.35 0.00 5.21 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 9.34 5.19 0.00 3.01 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 28 Q 9.07 5.25 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.26 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 29 F 8.28 4.96 0.00 3.21 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 30 V 8.27 4.48 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 0.99 0.00 0.00 0.91 0.00 0.00 31 L 8.44 4.86 0.00 1.93 1.49 1.01 0.90 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 32 E 9.16 4.75 0.00 2.10 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 2.34 2.22 0.00 33 H 8.90 5.17 0.00 3.30 3.00 0.00 5.83 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.86 5.29 0.00 1.71 1.84 0.00 3.43 0.00 0.00 3.38 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.88 0.00 35 S 8.93 4.57 0.00 3.90 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 36 V 8.31 4.86 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 0.73 0.00 0.00 0.94 0.00 0.00 37 Q 9.40 4.68 0.00 2.17 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 38 E 8.88 4.73 0.00 2.12 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 2.35 2.29 0.00 39 E 10.04 4.41 0.00 2.01 1.82 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 2.25 2.27 0.00 40 A 9.80 3.64 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.77 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 0.00 0.00 0.00 42 F 8.13 4.74 0.00 3.14 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 43 H 8.93 5.21 0.00 3.05 3.26 0.00 5.67 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 9.47 4.78 0.00 1.73 1.86 0.00 3.31 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 45 Q 8.70 4.77 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 46 A 9.24 4.87 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 47 W 8.36 5.70 0.00 3.28 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 48 C 7.07 3.35 0.00 2.62 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 49 Q 7.53 4.95 0.00 1.75 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.55 0.00 0.00 0.00 0.00 0.00 2.12 1.86 0.00 *51 P 0.00 4.18 0.00 1.95 1.88 0.00 3.41 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.00 0.00 52 V 8.62 4.58 0.67 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 0.57 0.00 0.00 0.63 0.00 0.00 53 I 8.15 4.86 1.55 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 0.80 0.51 0.82 0.00 0.00 54 V 8.90 4.42 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 1.11 0.00 0.00 1.05 0.00 0.00 55 S 9.03 5.18 0.00 3.79 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.98 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 8.92 4.14 0.00 3.26 3.40 0.00 5.82 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.24 4.11 0.00 2.14 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 2.31 2.37 0.00 59 N 8.02 4.73 0.00 3.12 2.91 0.00 0.00 6.84 7.33 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 60 Q 7.89 4.23 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 61 A 8.04 4.02 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 62 I 7.32 4.12 1.90 0.00 0.00 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 1.59 0.68 0.94 0.00 0.00 63 T 7.96 4.48 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 1.28 0.00 0.00 64 H 8.16 4.12 0.00 3.32 3.49 0.00 5.54 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.25 4.36 0.00 3.85 3.64 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 66 I 7.16 3.69 1.42 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.16 0.73 0.00 0.00 67 T 8.84 4.56 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 1.17 0.00 0.00 68 V 8.16 3.86 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 0.83 0.00 0.00 0.94 0.00 0.00 69 G 9.08 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 70 S 8.34 4.20 0.00 3.67 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 71 R 8.60 5.04 0.00 1.74 1.85 0.00 3.08 0.00 0.00 3.39 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 72 I 8.55 4.92 2.04 0.00 0.00 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 1.28 1.08 0.85 0.00 0.00 73 T 8.59 4.95 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 1.26 0.00 0.00 74 V 8.82 4.73 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 1.03 0.00 0.00 1.03 0.00 0.00 75 Q 8.69 4.99 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.41 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 76 G 8.10 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 77 F 7.86 5.55 0.00 3.28 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 78 I 8.33 4.98 1.89 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 1.29 0.74 0.89 0.00 0.00 79 S 8.75 4.70 0.00 4.06 3.82 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 80 C 8.57 4.98 0.00 3.02 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 81 H 9.25 5.04 0.00 3.09 3.15 0.00 5.85 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.56 4.64 0.00 1.77 1.73 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.54 7.81 83 A 9.12 4.38 1.36 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 84 K 8.49 4.05 0.00 1.88 1.97 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.43 7.81 85 N 8.00 4.45 0.00 2.86 2.99 0.00 0.00 6.26 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 86 G 8.19 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 87 L 8.26 4.24 0.00 1.84 1.60 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.47 5.13 0.00 4.04 3.88 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 0.00 0.00 0.00 89 K 8.49 4.49 0.00 1.68 1.38 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.35 7.81 *91 V 8.27 4.02 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 0.61 0.00 0.00 0.74 0.00 0.00 92 L 8.14 4.79 0.00 1.68 1.33 0.89 0.86 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 93 H 8.74 4.74 0.00 1.40 2.56 0.00 5.86 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.28 4.42 1.19 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 95 E 9.46 4.57 0.00 1.96 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 0.00 2.24 2.31 0.00 96 Q 7.93 4.77 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.64 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 97 I 8.19 4.92 1.90 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 1.30 0.64 0.93 0.00 0.00 98 E 9.23 4.34 0.00 2.04 1.81 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 2.26 2.29 0.00 99 L 8.43 4.67 0.00 1.63 1.59 0.91 0.74 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 0.00 100 I 8.10 3.72 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 1.44 0.52 0.91 0.00 0.00 101 D 7.60 4.78 0.00 2.87 2.72 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 * Residues marked with a * may have inaccurate shift predictions.