# 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 S C C 74.04 4.41 10.60 16.64 115.92 -146.57 -92.48 144.67 99.85 0.09 0.06 99.70 0.13 0.08 0.03 0.01 0.00 0.04 0.02 1 S C C 84.66 2.48 8.72 12.87 111.03 -148.46 -91.28 120.61 80.44 1.19 18.37 67.61 2.51 10.66 14.99 2.93 0.00 0.58 0.71 2 H C C 150.50 1.66 8.03 11.10 108.22 -145.23 -91.05 93.61 70.50 2.39 27.10 41.45 15.41 13.72 22.48 4.64 0.02 1.09 1.19 3 K C C 127.08 3.63 7.93 13.49 113.16 80.32 -90.10 133.28 68.20 2.41 29.39 47.20 14.45 6.32 26.14 3.70 0.01 1.07 1.11 4 T C C 76.20 2.66 9.75 13.84 116.18 -136.34 -83.14 158.71 66.25 2.33 31.42 55.59 6.83 3.10 30.79 1.72 0.00 0.92 1.05 5 F H H 151.78 1.43 10.06 12.19 93.41 -112.34 -61.36 -38.29 4.17 0.05 95.79 1.85 0.86 1.36 95.49 0.40 0.00 0.01 0.01 6 R H H 153.65 1.20 11.71 12.88 92.56 51.87 -65.16 -40.14 2.06 0.02 97.91 0.66 0.29 1.04 97.60 0.39 0.00 0.01 0.00 7 I H H 86.49 2.69 11.55 15.51 92.31 48.12 -66.26 -41.04 1.02 0.01 98.97 0.30 0.12 0.53 98.72 0.32 0.00 0.00 0.00 8 K H H 113.45 2.37 12.94 16.13 91.93 50.75 -64.54 -40.59 0.62 0.00 99.38 0.17 0.06 0.31 99.27 0.18 0.00 0.00 0.00 9 R H H 138.96 1.45 14.41 15.37 91.87 49.95 -64.81 -40.76 0.75 0.00 99.25 0.14 0.06 0.46 99.20 0.14 0.00 0.00 0.00 10 F H H 108.42 2.16 14.01 16.50 92.04 49.70 -64.45 -42.11 0.63 0.00 99.37 0.13 0.05 0.35 99.35 0.11 0.00 0.00 0.00 11 L H H 83.33 2.75 13.69 17.30 92.03 50.12 -64.31 -41.06 0.52 0.00 99.47 0.10 0.03 0.30 99.41 0.15 0.00 0.00 0.00 12 A H H 55.84 2.02 13.88 16.25 91.60 50.88 -63.90 -41.00 0.89 0.00 99.10 0.13 0.06 0.58 99.00 0.23 0.00 0.00 0.00 13 K H H 121.60 1.52 14.31 15.41 92.34 50.16 -65.48 -39.95 1.56 0.00 98.43 0.20 0.11 1.09 98.21 0.39 0.00 0.00 0.00 14 K H H 113.76 2.33 13.09 16.07 92.42 50.96 -65.67 -39.79 2.81 0.01 97.18 0.39 0.22 1.97 96.28 1.13 0.00 0.01 0.00 15 Q H H 109.75 2.05 12.63 15.31 92.37 51.69 -65.70 -37.45 8.47 0.04 91.49 0.99 0.67 6.42 89.78 2.10 0.01 0.02 0.02 16 K H H 136.39 1.73 12.09 14.30 93.01 54.30 -70.05 -27.75 24.03 0.18 75.80 4.03 2.24 17.42 72.67 3.42 0.03 0.08 0.10 17 Q C H 121.73 2.37 10.82 14.40 94.99 63.24 -73.44 -19.62 50.68 0.57 48.74 9.47 6.70 34.37 45.17 3.65 0.06 0.23 0.35 18 N C T 119.12 1.93 10.74 13.57 99.12 52.97 -90.70 4.23 75.47 0.89 23.63 22.68 11.82 41.35 19.53 3.71 0.01 0.36 0.53 19 R C C 143.65 2.86 9.58 14.40 117.62 109.34 -95.48 136.96 97.54 2.03 0.43 55.86 41.09 0.95 0.25 0.15 0.00 0.82 0.89 20 P C C 106.21 1.93 11.41 14.59 114.29 -104.79 -67.99 146.93 93.32 6.22 0.47 87.11 5.32 0.65 0.27 0.15 0.00 2.10 4.40 21 I C C 97.56 6.57 7.73 16.07 115.35 -110.26 -81.80 139.48 95.84 2.62 1.54 83.44 11.33 1.06 1.22 0.36 0.00 1.15 1.45 22 P C C 74.97 3.98 10.75 16.47 111.94 -104.50 -64.72 141.95 91.17 2.00 6.84 84.75 3.87 2.69 5.65 1.15 0.00 1.06 0.83 23 Q H H 134.33 2.15 10.72 14.34 93.51 -135.18 -64.25 -30.51 38.76 7.13 54.10 14.85 13.09 13.44 41.17 10.16 0.35 5.67 1.26 24 W H H 168.67 2.31 11.11 14.37 93.88 64.84 -70.01 -25.66 20.78 19.81 59.41 8.76 5.04 9.20 45.19 12.14 0.58 17.71 1.38 25 I H H 83.25 5.52 9.45 16.77 96.10 61.65 -74.12 -26.30 10.06 27.53 62.41 5.71 2.09 3.47 48.33 11.53 0.12 27.92 0.83 26 R H H 136.74 4.21 10.76 16.47 97.50 66.56 -80.94 -15.63 10.04 40.35 49.60 5.90 1.84 3.08 41.01 7.58 0.08 39.58 0.93 27 M E E 111.04 3.41 10.17 15.11 110.70 65.41 -94.18 118.49 13.72 60.67 25.61 8.89 2.27 3.11 23.85 4.21 0.05 56.03 1.58 28 K E E 130.50 3.67 8.39 13.97 115.43 -147.27 -95.73 130.33 22.75 67.71 9.54 15.52 4.16 3.65 8.91 2.37 0.03 63.35 2.02 29 T E E 94.32 2.56 8.30 12.31 113.29 -167.91 -118.03 112.13 37.43 53.22 9.35 13.97 9.91 16.88 6.57 3.36 0.14 45.81 3.36 30 G C T 65.27 0.55 10.68 10.27 105.03 -52.16 63.41 -109.36 96.35 0.76 2.90 6.42 16.79 73.57 0.91 1.57 0.00 0.50 0.23 31 N C T 138.03 0.99 9.16 10.52 100.16 -17.20 -95.17 5.42 97.15 1.11 1.74 7.68 22.74 67.02 0.30 1.22 0.00 0.83 0.21 32 K E E 139.57 1.64 10.12 13.08 120.44 95.58 -105.38 141.09 29.51 69.93 0.56 21.57 7.90 1.49 0.23 0.38 0.00 64.22 4.21 33 I E E 100.32 6.15 7.58 15.58 114.65 -129.58 -91.68 128.38 24.14 75.58 0.28 22.55 1.31 0.27 0.14 0.13 0.00 72.76 2.84 34 R E E 144.10 2.95 12.13 16.67 120.77 -170.03 -111.17 140.71 46.72 52.78 0.51 40.72 4.47 0.76 0.24 0.25 0.00 52.36 1.20 35 Y C C 136.90 5.69 9.62 17.19 121.76 -139.11 -114.43 138.65 60.88 36.97 2.15 50.72 7.89 1.68 1.52 0.92 0.00 33.36 3.92 36 N C C 72.43 5.57 10.10 17.78 114.50 -163.47 -114.15 117.49 90.13 7.26 2.61 84.10 4.87 1.29 1.83 0.79 0.00 5.74 1.37 37 S C T 80.12 3.28 10.05 15.10 94.38 -156.26 -69.75 -18.74 61.78 1.57 36.65 19.34 12.36 29.96 20.88 15.81 0.04 0.85 0.75 38 K C T 155.55 1.18 11.71 13.08 93.53 66.42 -75.42 -17.45 58.53 1.27 40.20 14.63 12.95 30.90 24.53 15.56 0.08 0.60 0.77 39 R C C 132.15 4.46 9.21 15.42 99.93 67.53 -86.06 9.51 53.26 1.59 45.14 29.65 12.25 11.71 29.31 15.46 0.03 0.75 0.82 40 R C H 135.62 4.69 9.90 16.30 101.97 98.28 -75.67 -5.26 52.14 1.43 46.42 35.12 8.77 8.79 36.99 8.93 0.01 0.72 0.66 41 H C H 124.23 2.95 10.84 15.13 102.60 57.69 -89.82 17.63 50.19 1.69 48.12 34.36 7.29 9.41 37.66 9.63 0.01 0.90 0.74 42 W H H 146.67 4.21 9.27 15.22 102.51 58.71 -76.50 -18.53 41.77 1.39 56.84 23.10 7.61 12.29 42.62 13.03 0.02 0.74 0.58 43 R H H 146.85 2.78 10.00 14.27 100.46 60.26 -78.08 -18.87 39.89 1.32 58.79 20.33 7.71 13.00 46.04 11.62 0.04 0.70 0.55 44 R H H 149.02 3.04 9.39 13.93 100.17 71.23 -75.14 -26.54 40.04 1.29 58.67 20.34 9.27 11.68 46.66 10.80 0.05 0.63 0.56 45 T H H 92.46 2.64 8.90 12.96 100.52 69.03 -79.48 -24.84 41.35 1.23 57.43 20.39 8.65 13.13 44.35 12.29 0.04 0.62 0.54 46 K H H 155.56 1.40 9.15 11.46 97.23 59.16 -75.00 -17.52 47.42 1.53 51.05 18.99 9.88 19.51 37.58 12.46 0.07 0.76 0.73 47 L C T 113.94 2.90 8.02 12.47 99.60 58.98 -83.40 -3.18 62.37 1.61 36.02 17.86 12.13 33.01 24.97 10.33 0.07 0.77 0.86 48 G C C 58.89 1.51 10.73 13.08 99.22 -108.12 74.05 10.39 91.09 0.93 7.97 53.66 3.65 34.89 4.81 2.04 0.00 0.51 0.45 49 L C C 98.27 5.81 9.79 17.15 104.71 126.72 -83.22 29.71 99.81 0.14 0.05 99.62 0.16 0.10 0.02 0.01 0.00 0.07 0.02