# 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 L C C 12.32 23.22 18.09 40.98 121.64 -156.75 -104.78 135.74 90.90 9.09 0.01 89.45 0.84 0.09 0.00 0.00 0.00 9.54 0.07 1 K E E 80.37 9.91 25.36 35.41 122.89 -154.47 -111.40 135.62 2.67 97.33 0.00 2.67 0.06 0.00 0.00 0.00 0.00 96.98 0.28 2 C E E 7.19 22.01 15.92 38.32 125.72 -163.94 -115.64 144.76 1.04 98.96 0.00 0.93 0.05 0.00 0.00 0.00 0.00 98.98 0.03 3 Y E E 54.92 11.49 18.97 31.94 116.34 -137.76 -105.06 126.98 3.46 96.52 0.01 2.84 0.32 0.04 0.00 0.01 0.00 96.66 0.14 4 Q E E 64.36 11.57 13.78 26.30 121.27 176.28 -127.46 126.32 27.30 72.51 0.19 20.91 3.45 1.54 0.02 0.15 0.00 73.54 0.38 5 H C T 138.71 4.15 13.40 18.93 98.58 -26.77 31.12 62.39 97.98 1.53 0.49 27.50 14.70 55.62 0.05 0.51 0.00 1.49 0.14 6 G C T 63.67 1.09 13.48 14.34 96.31 -37.40 80.35 0.30 98.78 0.81 0.41 39.95 14.90 43.85 0.04 0.44 0.00 0.74 0.09 7 K E E 123.04 2.75 14.73 18.92 126.01 89.72 -117.95 145.93 35.12 64.82 0.07 28.25 4.06 0.64 0.01 0.06 0.00 66.74 0.25 8 V E E 78.06 10.25 13.13 24.48 116.03 -121.93 -90.51 130.92 5.04 94.96 0.00 4.86 0.12 0.01 0.00 0.00 0.00 94.92 0.09 9 V E E 34.24 13.35 15.69 30.39 125.80 -172.22 -123.04 140.29 0.55 99.45 0.00 0.56 0.01 0.00 0.00 0.00 0.00 99.34 0.08 10 T E E 72.14 7.68 21.69 30.08 119.24 -140.49 -101.35 136.76 2.80 97.20 0.00 2.76 0.09 0.01 0.00 0.00 0.00 96.87 0.27 11 C C C 11.75 22.40 10.35 32.24 117.10 -130.35 -84.86 144.50 62.33 37.65 0.02 59.69 1.66 0.07 0.00 0.02 0.00 37.97 0.58 12 H C C 103.22 4.04 20.02 24.07 116.95 -111.77 -73.06 152.56 96.97 2.97 0.07 94.36 2.72 0.27 0.01 0.05 0.00 2.12 0.46 13 R C T 162.25 4.46 14.21 20.45 96.05 -103.87 -60.09 -30.50 99.00 0.28 0.71 1.01 6.71 91.31 0.03 0.69 0.00 0.17 0.08 14 D C T 117.09 1.71 17.03 18.57 93.82 45.40 -81.72 2.43 99.40 0.12 0.48 1.65 4.74 92.96 0.02 0.52 0.00 0.08 0.03 15 M C C 38.92 17.11 10.35 27.27 114.48 115.01 -80.11 132.89 96.79 2.43 0.79 88.73 6.78 1.17 0.08 0.99 0.00 1.49 0.76 16 K C C 123.54 5.34 21.34 27.69 99.26 173.10 -100.05 -16.52 96.06 3.81 0.12 47.92 47.23 1.17 0.01 0.14 0.00 3.21 0.32 17 F E E 60.44 11.30 22.73 34.77 132.17 35.54 -137.13 143.46 35.55 64.26 0.19 24.66 10.30 1.01 0.02 0.23 0.00 63.04 0.74 18 C E E 4.78 24.41 17.24 42.05 130.05 -169.85 -129.53 146.56 3.99 96.00 0.01 3.65 0.26 0.01 0.00 0.01 0.00 95.83 0.24 19 Y E E 36.00 14.31 24.54 39.25 129.22 -160.28 -125.13 147.55 0.86 99.14 0.00 0.73 0.05 0.00 0.00 0.00 0.00 99.19 0.03 20 H E E 50.04 17.84 19.61 36.69 125.40 -154.98 -121.20 137.08 1.35 98.65 0.00 1.15 0.07 0.00 0.00 0.00 0.00 98.76 0.01 21 N E E 48.49 12.87 20.26 33.43 126.09 -164.22 -120.48 140.94 2.88 97.11 0.01 2.54 0.18 0.02 0.00 0.00 0.00 97.22 0.05 22 T E E 49.92 13.23 17.20 30.83 124.86 -162.48 -119.11 138.96 2.86 97.12 0.01 2.51 0.18 0.02 0.00 0.01 0.00 97.06 0.22 23 G E E 24.81 8.80 17.53 27.50 135.64 170.31 -142.44 166.63 6.51 93.47 0.02 5.32 0.89 0.08 0.00 0.01 0.00 93.42 0.26 24 M E E 93.99 7.21 14.14 22.74 114.27 -99.96 -104.61 120.89 25.98 73.98 0.05 22.49 2.37 0.16 0.01 0.03 0.00 74.66 0.28 25 P E E 66.94 8.00 12.25 21.72 97.38 -168.44 -76.84 -31.77 41.48 57.92 0.59 28.13 10.78 2.72 0.06 0.60 0.00 57.21 0.50 26 F E E 107.49 4.08 12.24 17.91 130.65 2.67 -144.12 144.62 34.31 63.65 2.04 6.92 17.91 14.20 0.25 1.91 0.03 54.59 4.20 27 R C T 188.16 1.22 11.99 13.51 101.46 -49.63 -32.65 96.90 97.26 0.79 1.94 1.58 13.53 81.89 0.08 2.20 0.00 0.55 0.16 28 N C T 137.15 1.18 11.93 13.37 94.79 -9.68 68.10 13.68 98.22 0.55 1.23 2.28 15.48 80.19 0.04 1.49 0.00 0.42 0.09 29 L E E 76.20 6.56 11.10 19.67 121.22 103.20 -115.16 135.79 25.42 74.40 0.17 19.73 5.45 0.86 0.04 0.17 0.00 71.48 2.27 30 K E E 100.71 8.04 14.29 23.70 120.03 -154.87 -104.84 138.12 16.16 83.83 0.02 14.83 0.64 0.05 0.00 0.01 0.00 84.23 0.24 31 L E E 42.65 12.91 16.04 30.24 122.66 -158.27 -113.09 135.68 4.03 95.97 0.00 3.51 0.22 0.01 0.00 0.00 0.00 96.20 0.05 32 I E E 49.38 13.22 19.52 33.48 119.27 -153.58 -108.27 129.49 0.51 99.49 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.50 0.01 33 L E E 30.40 16.50 20.16 36.80 126.11 -170.39 -120.80 139.80 0.51 99.49 0.00 0.46 0.04 0.00 0.00 0.00 0.00 99.49 0.01 34 Q E E 45.50 15.85 22.74 37.94 127.95 -164.12 -120.24 144.80 3.22 96.77 0.01 2.66 0.37 0.04 0.00 0.00 0.00 96.83 0.09 35 G E E 8.17 16.13 24.36 40.71 142.20 113.66 144.74 -173.24 18.56 81.37 0.06 14.78 3.33 0.32 0.01 0.06 0.00 80.88 0.62 36 C E E 21.56 19.62 20.79 39.75 118.90 -72.24 -93.16 140.50 38.69 60.73 0.58 28.22 9.60 1.54 0.16 0.49 0.00 56.92 3.07 37 S C C 18.45 16.09 19.13 35.37 131.54 -160.02 -126.82 160.74 62.28 28.07 9.65 36.82 19.43 7.93 2.00 7.73 0.06 20.30 5.73 38 S C T 75.42 5.65 20.55 27.03 95.99 -119.38 -75.19 -19.73 79.88 7.73 12.39 10.69 27.65 42.81 1.28 10.35 0.02 5.45 1.74 39 S C T 64.87 5.15 21.12 26.64 114.34 33.34 -110.06 107.06 80.68 6.15 13.17 21.52 20.99 39.26 1.74 10.80 0.02 3.75 1.92 40 C C C 24.84 20.52 11.08 30.26 113.79 119.78 -88.97 128.65 85.62 7.85 6.53 59.69 19.69 5.61 1.98 4.70 0.00 3.75 4.58 41 S C C 56.06 6.82 17.52 25.17 111.08 -133.26 -81.83 142.81 88.72 6.34 4.94 63.72 15.79 8.70 1.70 3.29 0.00 3.14 3.66 42 E C C 122.06 5.97 13.83 21.14 103.48 -134.16 -83.54 -3.61 86.51 5.06 8.44 40.67 30.22 16.15 2.73 5.24 0.01 2.32 2.66 43 T C C 79.82 4.75 12.89 19.06 113.63 83.74 -95.25 138.83 84.32 2.04 13.64 32.63 22.78 29.46 3.71 9.33 0.01 0.98 1.10 44 E C T 132.57 4.32 13.07 18.99 101.72 -98.75 -71.55 16.35 83.91 1.51 14.58 27.34 20.45 36.67 4.05 9.87 0.01 0.72 0.89 45 N C C 99.25 6.09 14.96 21.98 100.18 31.93 -67.69 21.73 85.62 2.69 11.69 42.75 18.01 25.33 3.29 7.99 0.00 1.43 1.20 46 N C C 67.87 12.04 14.83 27.13 106.64 107.61 -87.81 79.96 82.35 9.00 8.65 57.84 14.60 9.66 3.40 5.48 0.00 6.37 2.65 47 K C C 96.90 9.62 20.29 30.20 112.95 132.10 -98.97 116.39 63.01 30.50 6.49 44.50 12.03 5.26 3.50 3.52 0.05 20.30 10.83 48 C C C 21.41 19.24 16.93 35.62 121.15 -149.85 -99.34 147.00 63.76 30.15 6.09 45.32 11.61 5.15 3.41 3.27 0.06 18.86 12.31 49 C C C 15.99 17.55 16.58 34.54 114.95 -113.42 -80.46 141.24 77.00 17.10 5.89 60.81 8.68 5.96 3.24 2.83 0.01 10.09 8.37 50 S C S 67.63 7.46 20.02 28.11 96.30 -152.61 -80.73 -17.52 89.22 4.02 6.76 28.22 37.20 24.55 2.82 3.31 0.03 2.05 1.82 51 T C S 77.80 5.28 19.12 24.88 103.27 45.78 -97.41 -21.45 89.75 2.24 8.00 13.14 48.61 28.86 3.28 3.62 0.02 1.08 1.39 52 D C S 53.08 12.82 15.16 28.10 106.26 52.80 -90.36 86.72 82.01 2.78 15.21 21.02 38.51 22.99 5.39 8.70 0.03 1.14 2.23 53 R C T 116.83 9.41 18.06 28.07 93.66 -135.62 -52.50 -11.75 66.69 2.91 30.40 12.83 14.11 40.10 6.75 22.76 0.10 1.51 1.83 54 C C T 29.75 16.62 15.10 31.58 95.08 83.80 -74.60 -13.54 67.06 4.24 28.70 14.73 11.53 41.22 6.50 21.30 0.09 2.30 2.34 55 N C C 47.92 15.32 14.08 29.18 101.08 65.12 -92.64 13.99 68.26 5.67 26.07 41.64 7.01 20.41 6.76 18.13 0.01 3.02 3.00 56 K C C 126.28 5.63 18.50 25.36 108.36 120.22 -86.60 87.49 99.34 0.36 0.30 98.89 0.24 0.29 0.10 0.07 0.00 0.11 0.29