# 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 K C C 129.59 4.39 11.99 17.99 113.72 -142.57 -90.09 130.12 99.90 0.07 0.03 99.77 0.11 0.06 0.01 0.00 0.00 0.03 0.02 1 E C C 151.03 1.91 10.43 13.97 112.46 -123.60 -73.43 134.42 89.60 1.77 8.63 51.61 4.60 33.12 1.37 7.40 0.00 1.16 0.74 2 G C T 59.49 1.48 11.33 13.49 102.25 20.59 83.56 -1.78 89.18 3.03 7.79 26.60 18.76 43.50 0.48 7.97 0.00 1.90 0.79 3 I C C 101.34 5.40 9.18 16.20 106.39 99.81 -88.78 68.99 80.23 10.47 9.30 48.13 20.25 11.46 1.14 8.72 0.01 5.41 4.88 4 H C C 103.26 6.79 9.34 17.79 117.40 89.92 -98.42 134.44 88.93 9.18 1.89 57.69 27.22 4.21 0.42 1.68 0.00 5.70 3.09 5 P C C 81.90 4.98 12.00 18.63 110.43 -64.31 -70.59 151.17 93.29 4.19 2.51 52.08 18.51 22.21 0.23 3.07 0.00 3.32 0.57 6 K C C 147.72 2.40 15.19 18.41 110.98 -98.30 -81.96 128.86 82.79 13.74 3.47 47.54 15.49 19.19 0.30 4.13 0.00 12.19 1.16 7 L C C 71.28 13.68 9.22 22.58 119.45 -145.46 -91.59 138.81 58.80 40.64 0.56 50.14 6.55 1.19 0.15 0.52 0.00 36.45 5.00 8 V E E 72.04 5.88 16.19 23.57 122.17 -160.98 -117.15 137.00 40.76 59.18 0.06 35.62 4.43 0.20 0.01 0.06 0.00 58.08 1.60 9 P E E 88.74 5.42 16.74 23.65 113.94 -108.42 -68.24 140.65 34.65 65.33 0.03 31.62 1.53 0.07 0.00 0.02 0.00 66.42 0.33 10 A E E 20.34 15.87 11.86 28.18 131.87 -175.55 -130.17 155.43 16.01 83.98 0.01 14.82 0.74 0.02 0.00 0.00 0.00 84.27 0.15 11 R E E 127.13 5.10 20.40 26.38 117.85 -127.23 -104.09 131.08 1.27 98.72 0.00 1.17 0.03 0.00 0.00 0.00 0.00 98.79 0.02 12 I E E 22.89 18.61 13.24 32.18 121.31 -167.02 -114.60 131.93 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 13 I E E 74.15 5.75 20.42 27.19 115.06 -153.57 -105.64 123.17 0.38 99.62 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.61 0.04 14 C C C 17.79 16.64 10.66 27.57 123.40 -155.62 -89.33 165.47 51.07 48.89 0.04 50.25 0.73 0.08 0.00 0.03 0.00 48.02 0.89 15 G C T 48.23 4.99 14.66 21.05 90.94 -103.93 -63.17 -23.94 98.73 0.68 0.59 0.57 5.59 92.67 0.01 0.57 0.00 0.52 0.07 16 C C T 80.52 3.91 13.74 18.93 93.20 57.61 -87.86 0.45 99.33 0.24 0.43 0.24 5.70 93.49 0.01 0.39 0.00 0.13 0.03 17 G C S 52.65 2.30 14.98 17.83 97.66 -101.33 87.96 4.64 98.41 1.30 0.29 13.20 84.16 1.29 0.02 0.21 0.00 0.77 0.34 18 N C C 70.89 6.42 12.43 20.99 118.49 135.05 -78.23 144.88 95.29 4.68 0.03 94.43 1.18 0.12 0.01 0.02 0.00 3.92 0.33 19 V E E 86.20 7.55 14.15 23.75 123.43 -155.42 -121.66 134.67 1.70 98.30 0.00 1.60 0.07 0.00 0.00 0.00 0.00 98.20 0.13 20 I E E 47.97 12.90 13.87 28.04 125.21 -171.69 -123.90 137.38 0.17 99.83 0.00 0.15 0.01 0.00 0.00 0.00 0.00 99.84 0.00 21 E E E 112.10 5.58 18.92 25.89 117.62 -147.53 -100.03 130.54 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 22 T E E 29.29 16.55 12.47 29.19 132.12 -175.67 -133.54 153.99 2.58 97.41 0.00 2.42 0.05 0.00 0.00 0.00 0.00 97.49 0.03 23 Y E E 138.44 4.24 20.16 25.36 122.10 -150.03 -115.26 132.88 15.01 84.98 0.01 12.89 1.33 0.08 0.00 0.01 0.00 85.52 0.17 24 S E E 28.54 16.66 10.38 26.44 131.32 154.16 -124.19 156.12 38.51 61.41 0.09 33.84 3.94 0.32 0.02 0.08 0.00 59.97 1.82 25 T C S 98.84 3.09 17.09 21.00 96.48 -146.91 -90.11 -8.52 91.12 8.80 0.08 34.91 55.28 1.21 0.01 0.08 0.00 7.94 0.57 26 K C S 96.11 6.78 12.42 21.03 118.08 90.58 -90.18 136.18 94.57 5.30 0.13 34.80 59.19 1.23 0.02 0.12 0.00 3.83 0.81 27 P C S 103.38 2.89 14.72 18.78 94.48 -132.47 -67.15 -30.29 95.19 4.35 0.46 22.41 54.32 18.22 0.03 0.52 0.00 4.19 0.31 28 E C E 120.12 3.63 16.07 20.80 124.07 23.83 -129.75 134.22 56.76 42.70 0.54 35.44 10.65 9.86 0.04 0.64 0.00 42.79 0.58 29 I E E 47.31 16.11 10.95 26.97 122.31 -172.10 -120.42 131.43 19.86 80.03 0.12 18.39 1.05 0.10 0.02 0.08 0.00 79.56 0.81 30 Y E E 146.10 3.59 19.70 24.03 116.19 -154.95 -106.65 127.29 7.86 92.10 0.04 7.49 0.30 0.03 0.02 0.02 0.00 90.96 1.17 31 V E E 37.16 17.79 10.56 27.80 122.94 -170.23 -117.04 137.02 20.16 79.76 0.08 19.44 0.64 0.07 0.03 0.04 0.00 78.93 0.85 32 E C E 117.96 3.77 19.66 23.60 98.81 -153.78 -86.23 -19.29 61.66 38.20 0.13 32.45 28.14 1.04 0.02 0.12 0.00 37.64 0.59 33 V C C 57.36 10.01 14.80 25.93 126.71 29.90 -127.28 141.20 58.71 41.02 0.26 39.18 20.33 0.67 0.12 0.19 0.00 30.04 9.45 34 C C C 36.83 9.98 14.77 26.43 124.48 -152.81 -106.91 153.10 92.04 7.74 0.23 91.46 1.39 0.20 0.07 0.11 0.00 4.98 1.79 35 S C T 62.76 7.61 13.68 22.78 91.88 -119.12 -62.08 -28.36 70.47 0.79 28.75 2.99 5.44 60.85 1.61 28.30 0.00 0.46 0.35 36 K C T 150.77 1.79 16.81 18.73 92.13 60.74 -71.71 -22.59 72.81 0.26 26.93 0.67 3.14 69.76 1.20 24.98 0.00 0.14 0.11 37 C C T 57.51 8.05 13.32 22.76 100.13 41.68 -101.19 -8.60 72.44 0.79 26.77 2.33 7.28 61.87 1.63 26.07 0.00 0.45 0.38 38 H C C 55.29 11.32 10.23 22.76 114.25 93.73 -95.15 117.10 94.54 2.54 2.92 65.85 26.72 1.49 1.91 0.83 0.00 0.64 2.55 39 P H T 78.36 4.37 14.03 19.98 94.43 -149.91 -64.66 -26.18 49.09 0.75 50.15 7.81 5.79 33.37 19.63 32.44 0.03 0.41 0.53 40 F H G 120.84 4.67 12.53 18.59 94.10 58.60 -71.76 -24.52 45.11 1.51 53.37 5.63 5.91 31.29 20.91 34.33 0.14 0.85 0.93 41 Y H G 126.15 6.00 10.51 17.94 99.19 51.85 -86.34 -10.94 40.14 3.72 56.14 10.55 7.72 21.64 21.32 34.87 0.20 2.12 1.57 42 T C T 85.26 3.44 11.01 15.74 100.04 57.68 -91.90 -4.46 57.05 5.85 37.10 14.28 14.68 28.46 19.63 16.20 0.59 2.96 3.20 43 G C T 56.81 2.29 11.10 14.73 99.67 -102.62 79.02 3.83 84.77 2.69 12.54 17.80 26.12 41.77 4.40 7.14 0.03 1.43 1.31 44 Q C C 134.32 1.64 11.37 13.78 101.90 99.44 -90.70 -0.49 85.79 4.41 9.80 38.43 26.87 20.76 3.22 6.52 0.01 2.42 1.76 45 Q C C 107.28 5.68 8.99 16.47 116.07 91.38 -99.78 132.89 84.02 8.47 7.50 61.04 16.04 6.49 3.22 4.61 0.00 6.03 2.57 46 R C C 161.71 2.98 10.71 15.50 118.46 -163.89 -106.23 135.05 79.30 15.71 4.99 63.46 11.67 3.63 2.67 2.58 0.01 12.40 3.58 47 F C C 132.96 4.58 9.89 16.29 116.92 -155.53 -104.61 132.10 67.06 29.56 3.38 53.57 10.76 2.33 2.26 1.56 0.01 23.36 6.15 48 V C C 94.62 4.32 9.05 15.33 119.48 -159.59 -108.89 133.92 54.89 42.27 2.84 43.37 8.07 1.64 2.34 1.06 0.02 27.59 15.90 49 D C C 78.15 4.71 8.40 14.99 117.96 -154.21 -99.53 151.35 80.79 17.80 1.41 73.09 5.67 1.63 0.83 0.65 0.00 14.48 3.67 50 T C T 116.45 1.32 8.90 11.19 95.69 -132.16 -75.74 -12.95 87.37 4.84 7.79 11.77 17.03 59.04 3.01 4.27 0.02 3.50 1.35 51 E C T 153.08 0.81 9.58 10.17 96.59 55.54 -86.23 -0.70 91.64 0.96 7.41 5.45 15.98 70.67 2.43 4.39 0.01 0.58 0.49 52 G C S 48.01 3.64 9.73 15.03 99.76 -100.85 83.17 5.64 85.75 6.01 8.24 23.23 46.42 16.96 3.05 4.58 0.01 3.92 1.82 53 R C C 136.07 3.18 9.96 14.80 113.33 126.96 -89.77 133.47 62.53 21.17 16.29 40.09 11.89 9.69 8.58 8.17 0.14 13.52 7.92 54 V C C 82.41 6.18 7.99 15.67 109.93 -129.08 -88.15 119.45 39.74 30.20 30.05 21.94 9.66 10.59 11.00 17.94 0.53 20.07 8.28 55 E C C 133.59 2.77 9.85 14.06 106.01 -153.10 -86.98 22.43 50.68 18.96 30.36 22.92 12.79 18.18 6.92 21.49 0.09 15.53 2.09 56 R C C 166.93 2.33 9.50 13.40 109.89 -103.11 -91.24 111.09 59.48 13.12 27.39 39.01 5.38 16.84 6.86 18.77 0.03 10.58 2.53 57 F C C 120.88 6.94 9.62 17.85 112.49 -157.64 -93.95 123.12 99.28 0.59 0.12 99.10 0.22 0.15 0.05 0.02 0.00 0.39 0.07