# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 M C C 114.17 4.97 10.50 17.27 113.51 -160.11 -96.62 130.18 99.79 0.16 0.05 99.65 0.14 0.07 0.03 0.01 0.00 0.07 0.03 1 G C C 46.53 3.35 9.99 14.90 116.00 -154.24 -99.61 170.76 89.01 2.12 8.87 83.16 1.61 4.97 6.36 1.70 0.00 0.97 1.23 2 F C C 152.64 2.81 8.14 12.50 100.81 -87.29 -79.94 -6.73 64.34 2.70 32.96 38.82 12.25 13.72 21.46 11.08 0.02 1.38 1.27 3 K C C 146.88 2.14 9.52 12.95 101.66 69.11 -79.76 -11.49 55.63 2.32 42.06 31.38 11.62 12.99 27.24 14.56 0.03 1.27 0.92 4 D C C 98.97 3.22 9.91 14.67 103.46 58.08 -87.42 16.84 52.09 2.78 45.13 34.18 8.94 9.09 30.33 14.79 0.02 1.66 0.99 5 I H H 98.28 5.28 9.36 16.28 105.44 92.97 -86.37 32.24 46.13 3.76 50.11 30.23 8.35 8.38 35.49 13.91 0.04 2.26 1.34 6 W H H 163.84 4.27 10.48 16.31 104.83 65.66 -82.36 15.20 44.88 4.21 50.91 24.87 8.65 12.45 32.07 17.81 0.09 2.61 1.44 7 R C C 156.19 3.41 11.23 16.02 104.16 60.34 -88.23 26.19 56.52 3.61 39.87 27.71 11.29 18.45 23.84 15.10 0.12 1.95 1.54 8 S C C 67.59 5.33 10.10 17.13 106.02 102.73 -88.89 54.34 72.23 4.49 23.28 42.70 15.37 14.51 13.28 9.41 0.05 2.05 2.64 9 H C C 118.75 4.84 9.83 16.48 115.49 29.12 -101.57 127.34 95.40 2.56 2.04 69.37 23.73 2.01 1.28 0.69 0.00 0.94 1.99 10 P C C 97.54 3.56 10.56 15.84 108.99 -116.11 -72.68 139.16 96.85 0.73 2.43 78.53 7.35 11.13 0.84 1.36 0.00 0.44 0.35 11 G C C 55.17 2.86 10.92 15.38 109.14 12.48 60.16 86.22 96.32 1.31 2.37 72.01 11.25 13.00 0.64 1.67 0.00 0.68 0.75 12 R C C 164.74 2.97 9.87 14.58 111.60 49.67 -95.38 116.16 92.68 3.66 3.65 65.24 17.36 9.70 1.15 2.43 0.00 1.58 2.53 13 G C C 43.27 4.35 10.19 16.29 123.14 -146.32 -99.99 172.74 92.71 2.96 4.33 59.92 20.95 11.47 1.08 3.27 0.00 1.27 2.06 14 R C T 185.32 1.54 11.76 14.25 109.27 -66.41 -73.59 129.29 89.35 2.37 8.28 19.23 17.10 52.46 1.13 7.60 0.00 1.29 1.18 15 G C T 52.87 3.18 12.87 17.20 100.93 16.91 81.41 -2.24 90.34 2.00 7.66 19.09 17.19 53.29 0.84 7.63 0.00 1.13 0.83 16 T C C 60.98 9.09 11.39 21.78 113.41 111.71 -89.79 129.70 88.83 5.48 5.70 69.24 13.87 4.67 1.10 5.26 0.00 2.83 3.04 17 R C C 114.49 8.67 15.28 24.78 108.00 106.28 -102.14 85.23 86.20 11.91 1.89 69.26 13.63 2.58 0.63 1.36 0.00 7.59 4.94 18 R E B 125.25 5.74 18.57 25.50 124.70 102.19 -108.65 145.07 43.92 55.73 0.36 36.87 2.19 0.11 0.26 0.06 0.00 9.88 50.65 19 C C C 15.01 18.43 10.50 29.28 110.48 -109.04 -68.22 131.08 94.32 5.61 0.07 94.62 0.74 0.07 0.03 0.02 0.00 1.99 2.53 20 R C T 150.46 3.78 17.91 22.80 92.60 -145.93 -69.55 -26.03 99.60 0.23 0.17 1.16 10.04 88.44 0.01 0.13 0.00 0.14 0.08 21 I C T 86.81 7.37 15.70 24.08 100.22 43.24 -85.00 -41.60 99.82 0.08 0.10 0.12 4.05 95.71 0.00 0.06 0.00 0.04 0.03 22 S C T 51.45 6.64 14.10 22.29 103.12 19.73 -108.75 -13.09 99.76 0.11 0.13 0.47 6.08 93.26 0.01 0.09 0.00 0.06 0.03 23 G C C 48.11 4.06 15.11 20.41 95.40 -119.72 80.19 5.00 98.72 1.20 0.09 78.02 18.27 2.25 0.03 0.06 0.00 0.42 0.97 24 N C C 68.00 6.96 13.11 22.10 115.10 137.00 -79.17 140.33 96.31 3.43 0.26 82.66 11.94 0.93 0.09 0.16 0.00 1.06 3.17 25 R C C 149.24 5.76 16.44 23.40 104.51 -137.54 -82.36 49.57 75.20 22.77 2.03 41.52 22.81 8.85 0.84 1.22 0.04 6.29 18.43 26 H C C 92.17 8.30 17.29 26.18 114.95 90.86 -102.17 131.97 94.59 3.57 1.84 58.86 21.73 13.97 0.67 1.05 0.00 1.51 2.22 27 G C C 15.58 12.24 16.11 29.42 120.92 -126.52 -84.26 158.69 86.16 3.64 10.20 62.96 18.41 4.23 8.73 1.77 0.01 1.19 2.72 28 I H H 50.43 11.07 18.05 30.11 94.72 -110.50 -68.81 -29.35 38.97 6.92 54.11 13.42 17.30 12.27 42.31 6.48 1.44 2.91 3.90 29 I H H 33.34 15.33 13.64 29.45 93.08 58.44 -66.12 -37.10 14.08 13.06 72.86 5.44 3.88 7.13 54.44 16.12 1.13 7.06 4.79 30 R H H 136.33 5.02 15.38 21.63 92.46 54.84 -66.64 -37.66 8.31 2.13 89.56 2.54 1.42 4.51 54.73 34.41 0.11 2.02 0.26 31 K H H 140.58 2.40 15.45 18.53 92.99 51.47 -70.73 -33.79 12.09 0.95 86.96 1.48 1.56 8.37 50.58 36.82 0.19 0.82 0.17 32 Y H H 106.45 7.58 13.02 21.98 99.59 33.37 -103.44 -0.05 29.01 0.41 70.58 1.51 2.71 23.26 37.83 34.10 0.15 0.24 0.21 33 G C T 51.37 3.03 17.56 21.04 95.57 -113.81 75.67 12.06 99.14 0.26 0.60 10.54 8.39 80.34 0.21 0.28 0.00 0.15 0.09 34 L C C 44.73 14.28 13.26 27.96 115.84 122.55 -102.23 128.55 93.91 4.97 1.12 48.59 33.77 11.83 0.21 1.08 0.00 2.76 1.75 35 M C S 95.90 7.78 20.70 29.13 102.23 -144.17 -88.42 55.01 90.13 9.26 0.61 40.37 45.25 5.12 0.13 0.57 0.00 6.60 1.97 36 M C C 27.58 16.33 16.67 33.53 132.03 126.06 -124.16 155.38 63.08 36.64 0.28 46.89 15.51 0.42 0.19 0.12 0.00 11.88 24.99 37 T C C 28.10 11.06 19.81 32.12 119.12 -106.58 -72.05 158.54 88.83 11.04 0.13 90.07 0.61 0.03 0.09 0.02 0.00 6.38 2.80 38 R H H 102.29 11.32 17.23 29.14 91.61 -108.74 -58.51 -38.74 1.17 0.00 98.83 0.13 0.13 0.76 98.69 0.29 0.00 0.00 0.00 39 R H H 132.63 2.55 21.80 23.67 91.70 52.54 -63.79 -40.70 0.47 0.00 99.53 0.03 0.03 0.37 99.16 0.40 0.00 0.00 0.00 40 E H H 39.03 10.66 17.87 30.06 91.90 49.33 -65.30 -41.64 0.26 0.00 99.74 0.03 0.02 0.18 99.20 0.56 0.00 0.00 0.00 41 F H H 16.87 21.00 13.97 34.97 91.83 51.18 -63.62 -42.67 0.18 0.00 99.81 0.03 0.01 0.12 99.60 0.24 0.00 0.00 0.00 42 R H H 119.21 6.89 18.33 26.09 91.41 51.28 -64.13 -39.94 0.59 0.00 99.41 0.04 0.03 0.48 98.89 0.56 0.00 0.00 0.00 43 E H H 123.17 1.76 20.65 21.04 92.38 49.12 -68.06 -38.89 3.05 0.00 96.95 0.06 0.08 3.06 96.14 0.66 0.00 0.00 0.00 44 I H H 48.23 10.58 15.68 27.56 98.74 37.98 -96.33 -18.89 14.69 0.04 85.27 0.58 0.85 13.57 84.16 0.77 0.03 0.01 0.03 45 A H H 14.17 17.11 10.59 28.09 92.19 82.68 -61.05 -40.51 19.98 0.72 79.30 5.28 2.94 11.53 48.93 30.42 0.12 0.33 0.46 46 G H G 48.86 2.72 15.16 18.83 92.10 55.10 -64.08 -35.96 12.63 0.21 87.16 1.63 0.97 9.07 35.90 52.16 0.05 0.15 0.06 47 D H G 115.03 1.41 15.72 16.76 91.80 54.88 -70.63 -23.67 15.45 0.20 84.35 1.06 1.06 12.25 34.99 50.33 0.11 0.12 0.08 48 I H G 75.97 8.99 11.59 21.78 96.47 47.88 -93.77 0.92 36.96 0.21 62.83 1.03 2.48 32.78 19.88 43.48 0.08 0.10 0.17 49 G C T 52.87 2.18 16.98 18.97 98.13 -98.11 89.57 8.11 99.42 0.07 0.52 2.53 3.24 93.81 0.21 0.17 0.00 0.04 0.02 50 F C C 72.50 13.09 8.59 21.79 118.70 129.15 -93.45 141.41 88.67 10.95 0.37 76.52 11.00 1.27 0.14 0.23 0.00 8.46 2.37 51 V C C 96.67 3.47 14.19 19.17 118.93 -153.13 -107.93 133.80 74.90 24.75 0.36 67.85 5.86 0.78 0.15 0.22 0.00 20.52 4.61 52 K C C 126.14 6.53 10.62 18.94 114.03 -126.32 -83.75 132.13 74.94 24.58 0.47 70.32 3.02 1.04 0.18 0.28 0.00 21.00 4.15 53 Y C C 145.82 5.14 8.92 15.72 109.20 -148.23 -91.05 112.49 92.55 6.97 0.47 90.37 1.07 1.53 0.14 0.23 0.00 5.52 1.15 54 N C C 129.47 1.61 12.22 14.62 104.37 -144.21 -86.65 65.13 99.85 0.13 0.01 99.67 0.16 0.07 0.00 0.00 0.00 0.09 0.01