NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2694 8.1133 117.2706 56.3679 29.8822 176.4149 11 T 3.7725 8.3336 112.1027 64.6849 68.5403 174.3638 12 G 3.7766 7.5557 107.8192 47.4807 0.0000 175.4257 13 R 4.0619 7.6654 116.5997 58.4833 29.8393 177.7668 14 F 5.0079 8.2616 117.9169 58.3749 39.4094 176.5949 15 G 3.8387 8.1172 108.0091 46.5301 0.0000 172.4737 16 P 4.6857 0.0000 0.0000 62.7963 31.6717 176.1900 17 R 4.1030 7.3433 117.3295 56.6612 31.4125 176.3236 18 Y 3.9551 8.1670 116.7905 57.4066 36.6806 170.9300 19 G 4.0408 7.9179 103.4794 45.1526 0.0000 173.4869 20 L 4.0370 8.1176 117.6540 57.7295 41.4652 179.7670 21 K 3.8516 7.9894 117.1933 59.8583 32.0995 179.0130 22 I 3.6830 7.8460 119.4051 64.6138 37.1234 178.2909 23 R 4.4075 7.7891 117.1987 57.7139 29.6852 178.8089 24 V 3.6444 8.3097 120.1173 66.0346 31.4401 178.1334 25 R 4.0041 8.2134 117.9051 58.9037 29.8402 179.1384 26 V 3.5629 7.6302 118.2949 65.7423 31.4891 178.0470 27 A 3.9666 8.0521 120.5768 55.1375 18.2730 179.2237 28 D 4.2781 8.1340 117.3806 57.5522 40.8837 179.1942 29 V 3.5539 8.0195 118.7956 66.3101 31.4896 178.0435 30 E 4.0991 8.3801 118.1587 59.0133 28.9816 179.2975 31 I 3.7066 8.0259 118.8254 63.9906 38.5111 177.7070 32 K 4.1439 7.9323 118.9365 59.6946 31.6778 178.4354 33 H 4.9926 8.2328 118.8621 58.7718 29.8927 176.6125 34 K 4.3894 8.2384 116.4794 55.8478 32.4787 177.3713 35 K 4.1451 7.0684 118.9098 55.8727 32.6434 176.8016 36 K 4.1292 8.2978 120.4995 56.7951 32.8754 176.3521 37 H 4.9996 8.5218 119.6314 53.8074 32.2641 173.2068 38 K 4.5237 8.6094 122.1714 55.5221 32.4398 176.3777 39 C 4.0994 9.0095 126.9601 59.5849 31.4490 172.3328 40 P 4.3525 0.0000 0.0000 65.5754 30.6602 177.5465 41 V 3.4181 6.9044 117.6512 64.9204 32.1808 178.9896 42 C 4.5378 7.5636 120.1369 57.5566 32.0806 173.8927 43 G 4.1513 8.5946 108.8767 45.5434 0.0000 172.9957 44 F 4.0076 8.1635 119.1713 56.7363 40.0942 175.6514 45 K 4.8032 7.7794 122.7945 54.5256 29.8190 176.8116 46 K 4.8260 7.6706 116.8451 56.1305 34.4746 177.0186 47 L 5.1577 8.3285 119.9620 53.6779 42.9351 176.6270 48 K 4.9875 9.4043 123.1290 54.2043 36.3079 175.9143 49 R 3.3134 8.7807 123.2107 56.1474 30.4274 176.1603 50 A 4.3737 8.5477 128.0949 51.7081 20.6693 176.5676 51 G 3.6659 6.7346 101.6186 45.9112 0.0000 171.4144 52 T 3.5353 8.3379 117.2641 64.8745 68.1829 174.7024 53 G 4.3911 8.5743 114.5764 46.4274 0.0000 171.3329 54 I 4.8464 7.0301 121.3404 59.0930 39.4107 174.7947 55 W 5.2335 9.1009 126.6552 55.1841 33.0203 174.2710 56 M 5.3054 9.1637 121.5952 54.3058 36.0436 173.0606 57 C 5.1268 9.0446 125.7698 58.1698 32.5517 174.6832 58 G 3.7678 9.1166 116.1084 47.8653 0.0000 174.0959 59 H 4.3748 8.2435 119.8142 58.5026 30.1541 175.5208 60 C 4.3743 8.1489 111.5895 57.5918 30.5917 174.6282 61 G 3.9244 8.5885 109.6285 44.8376 0.0000 172.8905 62 Y 4.2787 8.0051 121.2443 58.4984 39.6973 174.7713 63 K 4.9224 8.4498 128.4097 54.8138 33.5361 175.1200 64 I 4.4164 9.0777 121.7263 58.9339 41.0721 174.0557 65 A 4.9213 8.4591 124.6912 51.0563 20.0666 176.9893 66 G 4.0285 8.2293 109.8244 45.3294 0.0000 171.8138 67 G 4.1280 8.5584 111.0038 44.9710 0.0000 174.2262 68 C 4.0121 8.5132 116.0154 62.1155 28.3659 174.5338 69 Y 5.0290 7.7717 113.3912 57.5279 39.1970 174.7287 70 Q 4.6348 8.0292 118.8599 53.3879 32.9738 174.1525 71 P 2.9700 0.0000 0.0000 64.1535 31.6104 176.0931 72 E 4.5853 7.5556 117.2656 54.0292 32.5066 175.6374 73 T 4.6115 7.9945 112.9853 59.8482 72.6141 175.7549 74 V 3.5903 8.2922 120.4656 65.9583 31.1404 177.9219 75 A 4.1634 7.9876 120.1768 54.5842 18.5239 179.5462 76 G 3.5757 7.9847 103.4079 47.6916 0.0000 175.8159 77 K 4.1443 7.9518 120.5283 59.2385 31.9742 179.2426 78 A 4.0705 7.5648 120.6442 54.7881 17.9568 179.8587 79 V 3.5456 7.2808 116.1133 66.5291 31.7280 176.9322 80 M 4.0835 7.2759 116.0456 58.4875 31.5531 177.8009 81 K 3.8959 7.6272 116.3678 57.1131 32.5820 176.7970 82 A 4.1699 7.2801 129.6667 52.8602 18.0947 177.6891 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 10 R 8.11 4.27 0.00 1.99 2.05 0.00 2.93 0.00 0.00 3.33 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 11 T 8.33 3.77 4.29 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 1.33 0.00 0.00 12 G 7.56 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 0.00 0.00 0.00 13 R 7.67 4.06 0.00 1.89 1.95 0.00 2.84 0.00 0.00 3.05 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.02 0.00 14 F 8.26 5.01 0.00 3.39 3.12 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 0.00 15 G 8.12 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 0.00 0.00 0.00 16 P 0.00 4.69 0.00 2.14 2.11 0.00 3.71 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 1.87 1.94 0.00 17 R 7.34 4.10 0.00 0.81 0.66 0.00 2.87 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.33 0.00 18 Y 8.17 3.96 0.00 3.03 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 19 G 7.92 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 20 L 8.12 4.04 0.00 1.71 1.71 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.99 3.85 0.00 1.80 1.88 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.56 7.81 22 I 7.85 3.68 2.04 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.90 0.78 0.00 0.00 23 R 7.79 4.41 0.00 2.29 2.50 0.00 3.23 0.00 0.00 3.51 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.59 0.00 24 V 8.31 3.64 2.20 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 1.04 0.00 0.00 0.99 0.00 0.00 25 R 8.21 4.00 0.00 1.90 1.93 0.00 3.16 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 26 V 7.63 3.56 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 1.21 0.00 0.00 1.11 0.00 0.00 27 A 8.05 3.97 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 28 D 8.13 4.28 0.00 2.94 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 29 V 8.02 3.55 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 0.69 0.00 0.00 0.83 0.00 0.00 30 E 8.38 4.10 0.00 2.12 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 2.35 2.51 0.00 31 I 8.03 3.71 1.98 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 1.54 0.77 1.02 0.00 0.00 32 K 7.93 4.14 0.00 2.19 1.94 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.49 7.81 33 H 8.23 4.99 0.00 3.42 3.71 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.24 4.39 0.00 1.80 1.87 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.65 7.81 35 K 7.07 4.15 0.00 1.87 1.66 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.72 7.81 36 K 8.30 4.13 0.00 1.70 1.71 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.44 7.81 37 H 8.52 5.00 0.00 3.17 3.03 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.61 4.52 0.00 1.63 1.77 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.41 7.81 39 C 9.01 4.10 0.00 3.08 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 40 P 0.00 4.35 0.00 2.27 2.16 0.00 4.00 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 2.17 2.11 0.00 41 V 6.90 3.42 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 0.62 0.00 0.00 -0.48 0.00 0.00 42 C 7.56 4.54 0.00 3.18 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 43 G 8.59 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 44 F 8.16 4.01 0.00 2.98 3.01 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 45 K 7.78 4.80 0.00 1.55 1.74 0.00 1.63 0.00 0.00 2.29 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.15 7.81 46 K 7.67 4.83 0.00 1.82 1.85 0.00 1.96 0.00 0.00 1.93 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.75 7.81 47 L 8.33 5.16 0.00 1.73 1.80 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 48 K 9.40 4.99 0.00 1.68 1.70 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.42 7.81 49 R 8.78 3.31 0.00 1.12 1.42 0.00 2.96 0.00 0.00 2.95 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.50 0.00 50 A 8.55 4.37 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 51 G 6.73 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 52 T 8.34 3.54 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 1.08 0.00 0.00 53 G 8.57 4.39 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 54 I 7.03 4.85 1.65 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.07 0.80 0.00 0.00 55 W 9.10 5.23 0.00 3.22 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 56 M 9.16 5.31 0.00 2.06 1.83 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 57 C 9.04 5.13 0.00 3.23 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 58 G 9.12 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 59 H 8.24 4.37 0.00 3.08 3.35 0.00 5.90 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 8.15 4.37 0.00 3.08 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 61 G 8.59 3.92 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 0.00 0.00 0.00 62 Y 8.01 4.28 0.00 3.04 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 63 K 8.45 4.92 0.00 1.72 1.57 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.25 1.35 7.81 64 I 9.08 4.42 1.88 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 0.97 0.88 0.83 0.00 0.00 65 A 8.46 4.92 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 66 G 8.23 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 0.00 0.00 0.00 67 G 8.56 4.13 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 0.00 0.00 0.00 68 C 8.51 4.01 0.00 2.34 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 69 Y 7.77 5.03 0.00 3.13 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 70 Q 8.03 4.63 0.00 2.09 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 71 P 0.00 2.97 0.00 1.63 0.90 0.00 2.94 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.00 72 E 7.56 4.59 0.00 1.81 1.78 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 2.10 2.10 0.00 73 T 7.99 4.61 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 74 V 8.29 3.59 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 1.04 0.00 0.00 0.94 0.00 0.00 75 A 7.99 4.16 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 76 G 7.98 3.58 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 0.00 0.00 0.00 77 K 7.95 4.14 0.00 1.92 1.85 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.61 7.81 78 A 7.56 4.07 1.38 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 79 V 7.28 3.55 2.26 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 0.87 0.00 0.00 0.97 0.00 0.00 80 M 7.28 4.08 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.55 0.00 81 K 7.63 3.90 0.00 1.86 1.69 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.59 7.81 82 A 7.28 4.17 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