# 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 H C C 122.40 5.25 13.23 20.02 115.28 -164.65 -94.73 133.77 99.91 0.06 0.04 99.80 0.10 0.05 0.02 0.00 0.00 0.02 0.01 1 S C C 64.17 5.15 11.55 18.25 115.04 -144.01 -88.38 146.90 79.49 1.99 18.53 75.16 1.11 4.55 14.72 2.51 0.00 0.87 1.08 2 L C H 99.80 5.45 11.83 18.78 94.94 -124.16 -67.39 -29.15 60.38 0.70 38.92 19.91 10.07 30.90 31.32 7.06 0.02 0.31 0.41 3 Q H H 77.14 10.76 12.60 23.89 94.07 59.80 -71.72 -30.91 41.30 0.33 58.38 13.50 6.89 21.62 51.10 6.51 0.03 0.13 0.21 4 D H H 69.55 6.81 14.47 22.56 93.97 62.66 -65.71 -39.19 13.85 0.08 86.06 7.69 3.01 3.32 84.07 1.84 0.00 0.03 0.04 5 P H H 77.67 2.55 18.15 20.38 92.24 51.03 -64.38 -39.65 5.58 0.04 94.38 1.99 0.72 2.78 93.07 1.40 0.01 0.02 0.02 6 Y H H 67.31 12.11 17.32 30.01 92.38 49.89 -65.24 -41.90 3.03 0.03 96.94 0.90 0.38 1.71 95.84 1.13 0.01 0.02 0.01 7 L H H 24.26 17.69 15.91 33.68 92.06 49.98 -64.09 -42.00 1.89 0.02 98.08 0.64 0.23 0.94 97.78 0.39 0.00 0.01 0.01 8 N H H 77.08 3.84 21.28 25.08 91.57 51.27 -63.44 -41.05 2.74 0.02 97.24 1.10 0.29 1.20 97.14 0.25 0.00 0.01 0.01 9 T H H 47.69 4.93 19.88 25.86 91.63 50.57 -63.90 -41.85 1.76 0.01 98.23 0.44 0.17 1.03 98.10 0.24 0.00 0.00 0.00 10 L H H 14.02 18.61 13.92 32.91 91.92 50.27 -64.03 -42.14 1.08 0.01 98.91 0.24 0.11 0.63 98.65 0.35 0.00 0.00 0.00 11 R H H 106.46 10.57 16.44 27.40 91.95 50.04 -64.51 -40.77 1.42 0.01 98.57 0.21 0.09 0.95 98.11 0.63 0.00 0.00 0.00 12 K H H 152.54 1.19 18.23 18.24 92.39 48.91 -67.01 -35.77 4.99 0.01 95.00 0.22 0.23 4.25 94.54 0.74 0.01 0.00 0.00 13 E H H 104.04 4.83 15.54 21.43 95.49 42.38 -90.53 -3.73 38.37 0.05 61.58 1.11 2.05 33.74 62.19 0.84 0.01 0.01 0.04 14 R C T 153.97 5.38 16.62 23.74 94.02 -125.39 58.62 40.73 96.84 0.15 3.01 10.52 2.71 83.45 2.89 0.29 0.00 0.07 0.07 15 V C C 28.42 14.91 14.20 30.26 116.73 164.44 -99.42 132.85 95.88 4.09 0.02 85.68 10.04 0.13 0.00 0.02 0.00 3.94 0.18 16 P C C 61.63 7.27 23.44 31.16 113.18 -114.58 -68.51 139.69 70.02 29.97 0.01 68.81 0.69 0.03 0.00 0.01 0.00 30.29 0.18 17 V E E 6.04 24.68 14.51 39.62 132.29 -175.15 -134.84 148.93 1.46 98.53 0.00 1.43 0.03 0.00 0.00 0.00 0.00 98.46 0.08 18 S E E 24.86 9.77 25.68 36.74 120.54 -148.06 -110.89 133.71 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 19 I E E 6.27 24.03 17.85 42.49 120.49 -162.03 -115.32 128.82 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 20 Y E E 65.16 8.85 23.08 33.11 115.58 -157.32 -108.27 122.84 0.16 99.84 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.01 21 L E E 19.29 16.80 13.74 31.26 122.04 -151.39 -88.01 160.61 15.62 84.35 0.03 15.22 0.42 0.04 0.00 0.02 0.00 83.95 0.35 22 V C T 84.96 9.05 14.34 24.45 91.76 -106.63 -62.87 -25.12 95.30 2.77 1.93 0.76 3.62 91.44 0.04 1.88 0.00 2.05 0.20 23 N C T 110.44 2.35 15.28 18.11 93.07 56.52 -86.65 2.33 97.86 0.24 1.90 0.36 2.71 94.68 0.04 2.05 0.00 0.13 0.04 24 G C S 47.39 3.71 14.53 19.40 98.04 -101.01 89.26 4.94 97.73 0.56 1.71 11.77 77.49 8.23 0.09 1.90 0.00 0.33 0.19 25 I C C 69.66 7.79 13.65 23.45 116.01 136.71 -79.70 137.70 90.50 9.47 0.03 90.43 0.73 0.06 0.01 0.01 0.00 8.49 0.27 26 K E E 110.31 8.25 17.41 27.08 120.40 -151.58 -107.76 132.23 1.89 98.10 0.01 1.88 0.08 0.00 0.00 0.00 0.00 97.82 0.21 27 L E E 20.36 19.21 15.60 35.04 125.88 -171.36 -122.64 139.69 0.39 99.61 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.60 0.01 28 Q E E 92.60 7.81 23.48 31.96 122.47 -154.67 -111.14 136.58 1.77 98.22 0.00 1.55 0.08 0.01 0.00 0.00 0.00 98.34 0.02 29 G E E 9.56 13.31 20.56 35.16 144.15 115.35 -176.12 -176.56 6.70 93.29 0.01 5.35 0.92 0.04 0.00 0.00 0.00 93.64 0.04 30 Q E E 71.74 7.74 25.30 33.97 124.47 -73.46 -115.76 141.61 3.85 96.14 0.02 3.57 0.21 0.01 0.00 0.01 0.00 96.03 0.17 31 I E E 12.53 23.55 13.82 37.92 109.49 -114.17 -73.68 125.82 5.66 94.30 0.04 5.67 0.13 0.02 0.01 0.01 0.00 94.02 0.13 32 E E E 91.27 5.99 21.98 28.71 100.52 176.15 -96.08 -32.08 6.05 93.90 0.04 3.89 1.74 0.13 0.01 0.02 0.00 94.17 0.04 33 S E E 47.47 4.86 23.65 29.24 141.87 -2.40 -159.57 156.74 1.81 98.17 0.02 1.36 0.25 0.05 0.00 0.01 0.00 98.28 0.03 34 F E E 70.71 20.18 11.38 29.85 132.32 -171.28 -144.03 143.18 5.84 94.11 0.05 4.90 0.72 0.10 0.01 0.02 0.00 93.34 0.90 35 D C C 66.62 3.20 21.04 23.75 132.39 170.88 -129.14 -176.48 85.76 14.18 0.06 79.43 4.50 0.38 0.01 0.04 0.00 15.25 0.40 36 Q C S 127.53 4.76 16.38 22.55 92.93 -83.03 -64.11 -26.80 99.62 0.28 0.11 2.16 79.04 18.48 0.01 0.08 0.00 0.19 0.04 37 F C S 99.46 9.89 15.98 26.29 103.94 22.93 -112.53 -6.08 98.78 1.13 0.09 2.24 74.36 22.25 0.00 0.08 0.00 0.99 0.07 38 V E E 33.28 12.50 18.93 32.56 135.28 44.26 -139.77 150.18 12.38 87.61 0.01 10.40 1.23 0.05 0.00 0.01 0.00 88.07 0.24 39 I E E 8.36 21.60 17.35 39.66 121.00 -158.06 -116.54 131.02 0.40 99.60 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.58 0.01 40 L E E 32.66 10.10 24.21 35.86 118.75 -158.15 -108.90 129.18 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 41 L E E 12.97 19.71 15.76 36.11 122.16 -166.56 -113.14 133.50 0.81 99.19 0.00 0.71 0.02 0.00 0.00 0.00 0.00 99.24 0.02 42 K E E 99.34 6.87 18.64 26.50 116.87 -153.74 -106.44 127.87 17.60 82.35 0.05 14.71 1.65 0.21 0.01 0.03 0.00 83.18 0.20 43 N C C 61.87 9.80 11.45 22.31 130.99 160.09 -131.86 170.28 83.96 15.72 0.32 63.21 14.61 3.47 0.05 0.27 0.00 17.99 0.39 44 T C C 117.05 1.19 14.03 14.85 97.59 -67.32 -76.53 -19.26 96.01 3.65 0.34 70.35 19.67 5.67 0.07 0.29 0.00 3.68 0.27 45 V C C 91.80 2.82 12.71 16.81 125.97 37.47 -121.16 148.54 84.99 14.66 0.35 66.15 13.03 3.37 0.06 0.31 0.00 16.64 0.42 46 S E E 64.39 8.64 11.70 21.66 117.73 -123.84 -94.02 135.76 43.20 56.64 0.16 38.60 1.77 0.29 0.03 0.09 0.00 58.97 0.26 47 Q E E 67.54 10.09 15.84 27.24 129.21 -175.24 -131.96 145.35 8.32 91.59 0.09 7.65 0.39 0.05 0.03 0.03 0.00 91.72 0.12 48 M E E 93.29 8.75 19.52 29.06 116.02 -130.89 -95.23 129.78 1.69 98.21 0.10 1.61 0.07 0.01 0.04 0.02 0.00 98.17 0.07 49 V E E 16.72 19.80 14.75 34.77 125.63 -170.65 -121.39 139.87 1.84 98.00 0.16 1.80 0.08 0.02 0.08 0.04 0.00 97.84 0.15 50 Y E E 95.97 6.95 21.91 29.32 111.76 -120.07 -79.10 132.71 16.61 82.82 0.57 15.99 0.61 0.13 0.23 0.27 0.00 82.25 0.51 51 K H G 77.74 16.71 13.84 29.92 92.51 -131.69 -61.38 -32.96 11.28 3.21 85.52 3.17 2.12 5.99 2.60 82.77 0.01 3.25 0.08 52 H H G 139.32 2.45 20.83 23.52 90.86 64.61 -68.73 -17.77 10.97 3.30 85.73 1.58 1.84 7.99 2.53 82.89 0.02 3.04 0.12 53 A H G 29.37 12.84 16.31 30.19 93.73 59.58 -86.89 -10.42 11.52 4.03 84.45 2.60 2.22 7.11 2.11 81.84 0.01 4.00 0.10 54 I E E 16.13 23.76 10.43 33.44 116.00 90.54 -88.20 130.23 19.75 76.09 4.17 17.03 3.11 0.96 1.73 2.17 0.03 73.14 1.82 55 S E E 68.40 4.14 20.58 25.32 100.02 -174.63 -92.27 -32.64 22.96 76.33 0.71 10.10 12.17 1.60 0.10 0.46 0.00 75.33 0.22 56 T E E 63.62 4.87 23.07 28.58 139.12 3.67 -151.31 152.36 3.93 95.65 0.42 2.58 0.89 0.38 0.07 0.22 0.00 95.79 0.06 57 V E E 41.28 20.94 13.23 33.22 120.26 -149.17 -116.35 127.18 2.17 97.77 0.06 1.95 0.17 0.03 0.02 0.02 0.00 97.65 0.16 58 V E E 61.58 7.28 20.98 29.23 122.12 -172.28 -124.58 130.28 6.60 93.38 0.02 6.04 0.32 0.02 0.00 0.01 0.00 93.39 0.21 59 P E E 66.22 10.09 15.88 26.74 114.99 -111.73 -66.16 147.47 24.32 75.56 0.12 21.32 2.48 0.33 0.03 0.09 0.00 75.01 0.73 60 S C C 55.18 12.07 11.79 24.07 105.67 -124.69 -79.86 95.57 89.67 9.82 0.50 58.16 29.29 2.34 0.08 0.49 0.00 8.74 0.91 61 R C S 158.52 2.27 15.70 18.67 122.38 -82.79 -111.50 141.73 92.19 7.50 0.31 43.66 47.57 1.51 0.05 0.28 0.00 5.88 1.05 62 P C C 99.43 4.29 12.10 18.43 112.87 -101.89 -66.23 142.34 91.57 7.80 0.63 82.11 7.32 2.02 0.11 0.62 0.00 6.63 1.20 63 V C C 74.53 9.20 8.41 18.82 117.14 -142.53 -100.37 132.07 87.28 12.10 0.62 77.91 7.34 1.76 0.14 0.57 0.00 7.76 4.51 64 R C C 183.35 1.35 12.33 14.50 114.59 -144.40 -98.28 124.54 89.88 9.86 0.26 82.99 6.32 0.81 0.07 0.21 0.00 5.98 3.63 65 L C C 96.20 6.91 7.15 15.64 118.19 -159.72 -98.43 135.93 98.43 1.55 0.02 97.51 1.16 0.08 0.00 0.01 0.00 1.01 0.23 66 P C C 108.48 1.83 13.35 15.82 109.46 -105.65 -67.79 141.43 99.97 0.03 0.00 99.85 0.10 0.03 0.00 0.00 0.00 0.01 0.00