NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2142 8.1701 110.9393 62.4723 69.0745 172.6266 2 A 4.0397 8.0791 128.7379 51.0837 21.1593 173.6531 3 Q 4.1516 8.6585 118.8921 56.9080 30.3280 176.1523 4 K 4.5825 7.9523 116.7003 55.1801 32.3540 175.6945 5 K 4.3269 7.7037 118.9170 55.3380 34.2685 175.2284 6 P 4.2688 0.0000 0.0000 63.6267 32.0899 176.5474 7 R 3.3577 8.5290 111.3238 56.9121 27.4016 174.5405 8 V 3.5920 7.8111 124.2270 63.3672 32.2716 175.2916 9 L 4.0619 8.4742 129.2860 56.6597 42.5763 177.6855 10 W 4.9969 7.4613 116.7444 56.0040 31.4750 173.1487 11 T 4.6629 7.6708 113.4229 59.0820 71.2928 175.6941 12 H 4.3011 8.3319 116.9408 58.5156 28.3196 176.7833 13 E 4.1725 8.0171 122.1113 59.2241 29.7093 178.2601 14 L 4.0402 7.5978 117.6385 57.6634 41.4707 178.9298 15 H 4.7329 8.5707 118.4560 59.0040 29.9220 176.9076 16 N 4.4654 8.3931 118.5902 55.9364 38.3658 177.6248 17 K 4.0237 8.0345 119.6879 59.3932 32.2502 179.0434 18 F 4.4023 8.1953 120.7547 60.6959 39.2563 177.2388 19 L 3.6612 7.6153 118.8180 57.4671 41.6945 178.8861 20 A 4.0662 7.9217 119.6935 54.2777 17.9928 179.4561 21 A 4.0114 7.9312 119.9391 54.9096 18.5969 180.0406 22 V 3.4293 7.1848 116.6264 66.0601 31.3848 177.7549 23 D 4.2416 7.6617 116.4686 57.6773 41.1650 177.4847 24 H 4.3446 8.1513 117.2808 58.2658 29.8595 175.9946 25 L 4.7472 7.2631 116.6025 52.5956 42.8001 172.8618 26 G 3.7760 8.1056 115.6844 44.7078 0.0000 174.9095 27 V 3.5800 8.3540 126.0054 63.9616 31.4876 177.5128 28 E 4.0632 8.2947 120.7935 58.7301 29.5885 177.3690 29 R 4.4927 7.8194 113.4210 55.5765 30.9285 175.0812 30 A 4.2027 8.1048 122.6671 51.8398 19.0158 178.3777 31 V 4.4399 8.1109 116.5482 59.3980 33.9973 175.4450 32 P 4.5109 0.0000 0.0000 65.3294 31.1230 178.8084 33 K 3.9359 7.9246 118.6975 59.5539 32.6228 178.4943 34 K 4.1597 7.9714 118.2663 59.5771 32.1163 179.3994 35 I 3.8497 7.8179 119.5305 63.8894 37.0486 177.9476 36 L 3.9805 7.9713 121.6614 58.5135 41.5322 178.8435 37 D 4.4156 7.9325 117.9256 57.0654 40.8122 178.1857 38 L 4.1484 7.7769 118.9952 58.0325 41.8157 179.3620 39 M 4.1241 8.0098 117.9679 57.9767 31.8983 177.6372 40 N 4.3154 7.6139 113.3339 54.3044 38.2541 173.7878 41 V 4.1573 6.9628 114.1497 60.7258 32.8268 175.2097 42 D 4.4436 8.1798 123.7551 54.0081 40.1927 177.3231 43 K 4.0085 8.6837 120.7822 56.4329 31.2520 175.4116 44 L 4.4398 7.2790 117.0227 54.0260 42.5718 175.8289 45 T 4.6658 8.0270 113.7449 59.3077 71.7865 174.9271 46 R 4.1212 8.3045 117.1011 59.0953 29.3622 178.0499 47 E 4.0638 8.1285 119.4277 58.7502 29.8166 178.1946 48 N 4.4383 7.8548 115.6232 56.0241 38.3419 177.2564 49 V 3.8829 7.7865 118.6403 65.1322 31.9558 177.5175 50 A 4.1697 8.1688 120.2240 54.3289 18.2596 179.8116 51 S 4.1084 7.8173 114.3385 62.0163 62.8595 176.1980 52 H 4.1995 7.6151 118.6142 58.8245 29.6355 176.9178 53 L 4.1036 7.6365 122.0851 58.3225 42.0492 178.9573 54 Q 4.1535 8.0502 117.0835 58.2967 28.5962 178.5521 55 K 4.1957 8.0579 119.9071 58.6917 32.1017 179.1232 56 F 4.3139 7.9271 121.1259 61.3982 39.3823 177.2912 57 R 3.7250 8.0941 117.2595 59.3885 29.6216 179.0371 58 V 3.5461 7.2168 115.2869 65.8002 31.6486 177.5243 59 A 4.0985 7.7063 118.4805 53.7868 18.3543 178.6353 60 L 4.0022 7.3048 116.6512 56.7091 42.1346 177.4721 61 K 3.7286 8.0121 118.3180 58.0479 32.2167 177.0693 62 K 4.1636 7.8171 131.3577 55.7389 31.9726 177.3809 63 V 4.2782 8.1306 117.7657 59.4816 33.6348 176.3391 64 S 4.3280 8.5650 118.6501 58.2464 62.9752 174.0537 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 T 8.17 4.21 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 1.21 0.00 0.00 2 A 8.08 4.04 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 3 Q 8.66 4.15 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.38 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 4 K 7.95 4.58 0.00 1.66 1.68 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.42 7.81 5 K 7.70 4.33 0.00 1.89 1.78 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.39 7.81 6 P 0.00 4.27 0.00 2.18 2.08 0.00 3.89 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 7 R 8.53 3.36 0.00 1.96 2.01 0.00 3.01 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 8 V 7.81 3.59 1.97 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 0.66 0.00 0.00 0.88 0.00 0.00 9 L 8.47 4.06 0.00 1.58 1.67 0.89 1.15 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 10 W 7.46 5.00 0.00 3.27 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 11 T 7.67 4.66 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 1.18 0.00 0.00 12 H 8.33 4.30 0.00 3.37 3.55 0.00 5.52 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 13 E 8.02 4.17 0.00 2.17 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 0.00 2.38 2.49 0.00 14 L 7.60 4.04 0.00 1.72 1.37 0.56 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 15 H 8.57 4.73 0.00 3.61 3.47 0.00 5.78 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.39 4.47 0.00 3.02 2.89 0.00 0.00 7.00 6.31 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 17 K 8.03 4.02 0.00 1.85 1.88 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.72 7.81 18 F 8.20 4.40 0.00 3.24 3.34 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 19 L 7.62 3.66 0.00 1.76 1.59 0.95 0.78 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 20 A 7.92 4.07 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.93 4.01 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 22 V 7.18 3.43 1.70 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 0.92 0.00 0.00 -0.11 0.00 0.00 23 D 7.66 4.24 0.00 2.77 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 24 H 8.15 4.34 0.00 3.29 3.43 0.00 5.78 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.26 4.75 0.00 1.63 1.61 0.90 0.81 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 26 G 8.11 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 27 V 8.35 3.58 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 0.67 0.00 0.00 0.95 0.00 0.00 28 E 8.29 4.06 0.00 1.95 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 0.00 2.30 2.28 0.00 29 R 7.82 4.49 0.00 1.79 1.88 0.00 3.42 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 30 A 8.10 4.20 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 31 V 8.11 4.44 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 1.11 0.00 0.00 0.97 0.00 0.00 32 P 0.00 4.51 0.00 2.50 2.40 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 33 K 7.92 3.94 0.00 1.79 1.90 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.49 7.81 34 K 7.97 4.16 0.00 1.82 1.85 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.48 7.81 35 I 7.82 3.85 2.09 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 1.00 1.14 0.00 0.00 36 L 7.97 3.98 0.00 1.91 1.94 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 37 D 7.93 4.42 0.00 2.89 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 38 L 7.78 4.15 0.00 1.81 1.78 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 39 M 8.01 4.12 0.00 1.95 2.23 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.59 0.00 40 N 7.61 4.32 0.00 3.00 2.83 0.00 0.00 7.20 7.14 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 41 V 6.96 4.16 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 0.84 0.00 0.00 0.90 0.00 0.00 42 D 8.18 4.44 0.00 2.91 2.74 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 43 K 8.68 4.01 0.00 1.88 1.95 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.41 7.81 44 L 7.28 4.44 0.00 1.80 1.47 0.62 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.03 4.67 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 1.20 0.00 0.00 46 R 8.30 4.12 0.00 2.09 2.24 0.00 2.98 0.00 0.00 3.28 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 47 E 8.13 4.06 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 2.40 2.42 0.00 48 N 7.85 4.44 0.00 3.07 2.90 0.00 0.00 6.56 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 49 V 7.79 3.88 2.14 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 0.99 0.00 0.00 1.00 0.00 0.00 50 A 8.17 4.17 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.82 4.11 0.00 4.10 3.94 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 52 H 7.62 4.20 0.00 2.92 3.15 0.00 5.95 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 53 L 7.64 4.10 0.00 1.90 1.84 1.06 0.61 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 54 Q 8.05 4.15 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.61 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 55 K 8.06 4.20 0.00 2.09 1.89 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.51 7.81 56 F 7.93 4.31 0.00 2.94 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 57 R 8.09 3.73 0.00 1.88 1.94 0.00 3.40 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 58 V 7.22 3.55 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 0.87 0.00 0.00 0.93 0.00 0.00 59 A 7.71 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 60 L 7.30 4.00 0.00 1.41 1.49 0.38 0.53 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 61 K 8.01 3.73 0.00 1.85 1.65 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.45 7.81 62 K 7.82 4.16 0.00 1.71 1.76 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.42 7.81 63 V 8.13 4.28 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 0.77 0.00 0.00 0.98 0.00 0.00 64 S 8.57 4.33 0.00 3.92 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