# 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 P C C 70.08 9.05 13.58 23.69 113.11 -112.66 -70.58 143.03 99.86 0.03 0.10 99.73 0.09 0.10 0.06 0.00 0.00 0.01 0.01 1 R C C 143.66 5.35 12.73 19.81 111.97 -135.18 -85.89 137.62 80.10 3.48 16.42 72.18 2.41 5.30 14.73 2.03 0.00 1.71 1.65 2 K C C 129.70 4.62 13.82 19.86 110.19 -116.64 -81.77 122.65 72.05 5.79 22.16 55.84 9.19 5.92 20.56 3.03 0.00 3.07 2.38 3 I C C 58.46 14.23 9.94 23.77 106.35 -168.02 -89.07 52.66 50.54 2.14 47.32 44.13 3.77 3.56 43.42 3.31 0.00 1.28 0.52 4 E H H 119.98 3.05 16.66 20.22 96.18 114.30 -70.13 -34.78 33.65 1.44 64.91 26.42 3.92 4.42 60.76 3.27 0.00 0.87 0.32 5 E H H 93.86 5.76 17.49 23.97 98.18 51.91 -73.36 -33.00 22.65 1.13 76.22 16.97 2.91 4.19 71.51 3.44 0.00 0.71 0.26 6 I H H 22.95 20.15 13.44 32.95 93.43 53.66 -65.57 -40.83 6.32 0.21 93.48 4.00 0.95 1.79 91.08 2.02 0.00 0.12 0.05 7 K H H 100.86 8.39 18.84 27.83 91.97 54.18 -62.90 -40.65 3.69 0.10 96.22 1.68 0.49 1.60 94.55 1.60 0.00 0.06 0.03 8 D H H 82.49 2.83 22.29 24.21 91.96 50.56 -65.35 -40.15 3.56 0.08 96.36 1.26 0.40 1.88 94.89 1.50 0.00 0.05 0.02 9 F H H 26.74 16.96 18.03 35.19 92.30 50.77 -64.78 -42.78 2.14 0.04 97.82 0.59 0.22 1.22 96.48 1.44 0.00 0.03 0.01 10 L H H 24.19 19.34 17.82 36.73 92.00 50.47 -63.74 -41.51 1.74 0.05 98.21 0.46 0.17 1.01 96.19 2.14 0.00 0.03 0.01 11 L H H 86.61 3.88 22.92 26.58 92.00 50.35 -65.22 -40.13 3.33 0.08 96.59 0.62 0.29 2.30 94.13 2.57 0.01 0.05 0.02 12 T H H 51.98 7.23 20.61 28.52 92.10 50.54 -66.92 -37.48 8.36 0.13 91.51 0.91 0.75 6.69 89.09 2.39 0.05 0.07 0.06 13 A H H 9.03 21.06 12.84 33.81 93.59 58.70 -69.16 -25.15 33.14 0.49 66.37 6.59 3.91 22.93 62.77 3.23 0.08 0.22 0.27 14 R C T 133.19 8.03 18.34 27.05 94.36 66.52 -73.10 -12.76 64.69 0.96 34.35 15.88 7.20 40.77 30.77 4.37 0.04 0.45 0.51 15 R C S 123.08 6.14 14.86 22.39 109.81 85.34 -79.34 122.16 78.19 2.67 19.14 20.62 41.36 15.86 15.88 3.23 0.08 0.86 2.12 16 K C T 150.88 2.88 15.55 19.45 96.68 -111.63 -69.02 -23.70 92.62 0.40 6.98 2.44 9.84 81.29 2.73 3.18 0.01 0.20 0.31 17 D C T 101.27 4.33 17.03 21.89 97.87 42.23 -87.05 5.10 97.72 0.26 2.01 5.20 8.51 84.30 0.45 1.29 0.00 0.16 0.11 18 A C C 18.41 20.09 9.10 28.06 115.52 129.28 -82.85 136.81 87.29 11.43 1.28 81.89 4.64 1.08 0.27 0.98 0.00 9.99 1.15 19 K C C 136.69 3.17 21.22 24.98 99.11 -170.02 -88.64 -27.73 82.43 16.87 0.70 44.78 35.78 1.72 0.14 0.49 0.00 16.56 0.53 20 S E E 38.16 8.19 22.77 31.86 142.07 1.65 -158.35 158.07 20.95 78.45 0.59 16.08 3.93 0.98 0.17 0.40 0.00 78.11 0.33 21 V E E 20.39 23.51 13.39 36.67 130.66 -166.40 -139.49 139.25 3.87 95.86 0.27 3.47 0.28 0.12 0.13 0.10 0.00 95.78 0.12 22 N E E 69.74 6.58 25.39 32.46 124.94 -169.51 -124.47 136.77 1.74 98.08 0.17 1.51 0.10 0.06 0.08 0.05 0.00 98.14 0.05 23 I E E 38.91 20.62 13.69 33.84 120.46 -154.36 -112.71 130.09 3.60 96.25 0.15 3.23 0.20 0.08 0.06 0.06 0.00 96.32 0.06 24 K E E 98.91 5.16 20.69 26.52 123.56 -172.00 -119.06 136.05 7.23 92.60 0.17 6.46 0.53 0.18 0.06 0.09 0.00 92.50 0.19 25 K E E 119.76 9.21 12.13 22.71 118.49 -150.29 -105.62 131.60 20.74 79.01 0.26 17.01 3.31 0.60 0.07 0.18 0.00 78.25 0.59 26 N C C 68.40 4.78 12.27 18.81 129.63 172.49 -126.07 168.35 72.40 27.38 0.23 63.95 5.54 0.80 0.05 0.19 0.00 28.67 0.81 27 K C S 175.28 0.85 12.31 12.89 92.93 -95.93 -63.49 -30.20 97.27 1.79 0.94 11.19 47.99 38.18 0.06 0.98 0.00 1.33 0.28 28 D C S 113.54 1.88 13.30 15.50 101.31 25.95 -103.79 -5.67 98.03 1.08 0.89 7.02 49.56 41.41 0.04 0.95 0.00 0.85 0.16 29 N C E 55.42 8.55 14.82 24.92 137.39 22.58 -149.26 158.05 55.54 43.85 0.61 27.38 23.84 5.77 0.06 0.63 0.00 41.32 1.01 30 V E E 24.04 16.07 14.03 31.38 119.20 -133.57 -108.52 131.80 14.50 85.48 0.02 13.41 0.59 0.04 0.00 0.01 0.00 85.76 0.19 31 K E E 60.21 9.78 21.90 32.69 123.23 -167.41 -118.36 135.16 1.91 98.09 0.00 1.67 0.07 0.00 0.00 0.00 0.00 98.24 0.02 32 F E E 14.80 21.14 16.72 38.11 127.70 -171.58 -125.20 143.09 0.24 99.76 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 33 K E E 65.09 9.63 24.48 34.71 120.68 -151.11 -115.19 131.91 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 34 V E E 8.18 22.15 16.28 38.91 122.38 -169.00 -118.41 134.98 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 35 R E E 100.25 7.12 21.83 29.68 116.27 -154.51 -105.59 125.49 1.75 98.25 0.00 1.53 0.09 0.01 0.00 0.00 0.00 98.31 0.06 36 C C C 23.81 14.62 11.69 26.92 130.00 173.24 -123.63 168.53 69.08 30.88 0.04 65.74 1.72 0.11 0.00 0.03 0.00 31.99 0.40 37 S C S 85.61 2.38 15.64 18.46 94.61 -88.17 -64.34 -34.25 99.49 0.36 0.16 1.63 74.74 23.21 0.01 0.13 0.00 0.23 0.05 38 R C S 169.83 2.04 15.15 17.40 102.65 13.63 -105.56 -14.45 99.51 0.36 0.13 1.19 75.34 23.06 0.00 0.11 0.00 0.25 0.04 39 Y E E 93.25 7.37 15.28 24.28 136.63 22.53 -145.95 155.37 33.00 66.96 0.04 25.91 5.97 0.31 0.00 0.04 0.00 67.24 0.52 40 L E E 64.40 12.16 15.96 28.95 119.94 -135.46 -110.00 131.55 2.34 97.66 0.00 2.17 0.08 0.00 0.00 0.00 0.00 97.68 0.07 41 Y E E 37.78 15.20 18.35 34.41 128.86 -173.68 -126.67 145.77 0.65 99.35 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.40 0.00 42 T E E 38.81 13.03 22.03 35.52 121.45 -151.20 -112.53 132.79 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 43 L E E 10.78 22.10 19.24 41.30 120.94 -165.10 -112.93 129.94 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.93 0.00 44 V E E 39.82 10.47 25.21 36.65 117.06 -154.79 -106.82 125.34 0.22 99.78 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.78 0.01 45 I E E 9.55 22.18 13.99 36.64 117.54 -162.07 -106.35 126.85 10.78 89.22 0.00 11.02 0.14 0.01 0.00 0.00 0.00 88.51 0.32 46 T C S 81.06 5.22 21.15 27.06 98.90 -171.61 -98.60 -15.82 97.00 2.98 0.02 20.67 76.01 0.40 0.00 0.01 0.00 2.81 0.09 47 D C C 71.13 5.25 17.95 24.31 112.28 75.48 -102.84 113.49 98.98 0.73 0.29 65.98 32.47 0.71 0.19 0.08 0.00 0.32 0.26 48 K H H 110.48 9.79 13.10 24.14 92.88 -158.14 -62.59 -35.93 2.03 0.00 97.96 0.35 0.29 1.17 96.98 1.21 0.00 0.00 0.00 49 E H H 134.55 1.11 19.88 18.94 91.59 54.72 -63.57 -40.99 0.96 0.00 99.04 0.09 0.07 0.69 97.64 1.50 0.00 0.00 0.00 50 K H H 80.24 7.37 18.08 26.51 92.09 47.43 -66.43 -39.13 0.53 0.00 99.47 0.07 0.04 0.36 97.97 1.57 0.00 0.00 0.00 51 A H H 4.85 21.97 11.70 33.89 90.98 52.64 -62.74 -42.49 0.54 0.00 99.46 0.08 0.03 0.33 98.90 0.66 0.00 0.00 0.00 52 E H H 98.88 4.06 21.46 25.68 91.36 50.97 -63.53 -40.99 1.20 0.00 98.80 0.11 0.05 0.88 97.89 1.08 0.00 0.00 0.00 53 K H H 114.80 2.14 22.45 23.15 91.62 50.47 -64.19 -41.97 1.25 0.00 98.75 0.10 0.05 0.90 96.46 2.49 0.00 0.00 0.00 54 L H H 13.31 19.59 15.07 34.88 91.76 49.67 -64.48 -41.51 1.03 0.00 98.97 0.13 0.05 0.68 96.00 3.13 0.00 0.00 0.00 55 K H H 73.58 16.18 16.27 31.65 91.12 54.53 -62.53 -37.11 2.48 0.01 97.50 0.26 0.15 1.89 92.27 5.41 0.00 0.01 0.00 56 Q H H 140.83 1.21 20.43 20.28 91.21 55.01 -69.70 -24.61 28.39 0.02 71.59 0.39 0.58 28.34 65.25 5.39 0.02 0.01 0.02 57 S C T 65.36 5.84 18.07 24.68 94.92 52.71 -89.94 -6.61 60.33 0.04 39.63 1.07 1.97 57.13 35.82 3.95 0.00 0.01 0.04 58 L C S 23.92 22.18 8.95 29.68 118.67 104.33 -79.74 140.62 99.60 0.30 0.10 12.35 87.14 0.16 0.06 0.01 0.00 0.05 0.23 59 P C C 51.40 7.51 16.44 25.65 116.44 -106.61 -65.15 152.79 99.88 0.07 0.05 98.30 1.30 0.31 0.01 0.02 0.00 0.03 0.04 60 P C T 112.08 2.33 15.74 19.24 109.96 -82.84 -59.91 137.44 99.13 0.11 0.77 0.96 4.42 93.79 0.08 0.64 0.00 0.06 0.05 61 G C T 57.16 2.12 17.16 19.54 95.17 21.28 85.91 -3.52 98.93 0.26 0.82 1.45 4.14 93.32 0.06 0.80 0.00 0.18 0.04 62 L C C 33.00 18.86 9.86 28.10 118.16 121.09 -87.78 136.55 77.66 21.22 1.12 62.33 13.25 1.74 0.14 1.14 0.00 20.04 1.37 63 A E E 56.75 4.79 22.39 27.37 118.83 -147.19 -98.20 136.97 31.33 68.12 0.55 29.69 1.32 0.45 0.12 0.37 0.00 67.22 0.82 64 V E E 44.31 20.74 11.69 31.07 124.92 -164.28 -118.12 136.73 15.56 84.31 0.13 14.89 0.75 0.09 0.05 0.07 0.00 83.73 0.42 65 K E E 107.16 4.96 19.63 25.74 125.14 -172.46 -122.84 141.69 7.70 92.13 0.17 7.00 0.52 0.09 0.06 0.08 0.00 91.97 0.28 66 E E E 114.38 7.74 13.86 23.20 114.18 -123.74 -83.09 131.19 12.20 87.68 0.11 11.73 0.44 0.08 0.04 0.05 0.00 86.96 0.70 67 L C C 72.00 11.03 9.39 21.12 112.94 -149.12 -92.46 133.13 71.84 27.97 0.18 71.37 0.39 0.17 0.05 0.07 0.00 27.37 0.58 68 K C C 159.30 1.79 14.76 17.29 110.09 -131.23 -85.61 120.96 99.68 0.31 0.00 99.65 0.08 0.02 0.00 0.00 0.00 0.24 0.01