# 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 71.38 8.70 13.66 23.48 113.12 -112.20 -70.36 143.01 99.88 0.03 0.09 99.76 0.08 0.08 0.05 0.00 0.00 0.01 0.01 1 R C C 142.63 5.52 12.71 19.93 111.31 -136.88 -85.39 135.81 79.86 3.50 16.64 73.10 1.96 4.70 15.03 1.90 0.00 1.71 1.60 2 K C C 127.46 4.79 13.85 20.03 110.13 -122.70 -82.76 122.67 70.53 6.16 23.31 55.49 8.33 5.63 21.71 3.08 0.01 3.37 2.38 3 I H H 58.31 14.30 10.18 24.06 105.14 -162.06 -86.96 30.30 47.92 2.43 49.65 41.30 3.96 3.75 45.06 3.82 0.00 1.54 0.57 4 E H H 119.05 3.14 16.65 20.35 96.02 100.60 -69.63 -35.55 33.80 1.63 64.57 26.15 4.15 4.68 59.96 3.67 0.00 1.03 0.36 5 E H H 94.40 5.57 17.59 23.85 98.62 52.17 -74.18 -31.55 23.90 1.27 74.83 18.02 3.02 4.38 69.80 3.67 0.00 0.82 0.29 6 I H H 22.05 20.33 13.38 33.07 93.60 53.72 -65.41 -39.95 5.98 0.19 93.83 3.80 0.90 1.70 91.50 1.93 0.00 0.11 0.05 7 K H H 101.22 8.56 18.81 27.93 92.00 54.06 -62.90 -40.74 3.51 0.11 96.39 1.59 0.46 1.53 94.73 1.60 0.01 0.07 0.03 8 D H H 82.73 2.74 22.28 24.04 92.03 50.48 -65.50 -40.15 3.43 0.10 96.47 1.22 0.39 1.80 94.92 1.57 0.00 0.07 0.02 9 F H H 27.76 16.57 18.05 34.89 92.27 50.74 -64.79 -42.78 2.25 0.06 97.69 0.67 0.25 1.26 96.21 1.56 0.00 0.03 0.01 10 L H H 23.82 19.59 17.62 36.78 92.04 50.52 -63.95 -41.47 1.97 0.06 97.96 0.54 0.19 1.14 95.74 2.32 0.01 0.04 0.01 11 L H H 86.80 4.02 22.76 26.61 92.07 50.35 -65.29 -40.03 3.97 0.11 95.93 0.71 0.35 2.79 93.33 2.70 0.02 0.07 0.02 12 T H H 55.18 6.84 20.80 28.18 92.15 50.36 -67.04 -37.32 10.08 0.18 89.74 1.14 0.96 8.04 87.18 2.44 0.07 0.09 0.07 13 A H H 9.40 20.98 12.72 33.54 93.76 59.55 -70.09 -25.11 36.38 0.73 62.89 9.23 5.02 22.71 59.16 3.10 0.08 0.32 0.39 14 R C T 132.64 8.04 18.20 26.93 95.31 67.75 -72.76 -12.81 65.75 1.31 32.95 21.38 7.67 36.09 29.28 4.27 0.03 0.64 0.65 15 R C S 125.72 6.11 15.03 22.41 109.58 83.51 -79.78 121.86 75.19 3.22 21.59 21.12 37.61 16.51 17.34 3.82 0.13 1.09 2.39 16 K C T 147.96 3.07 15.89 19.91 97.81 -105.65 -72.34 -23.35 90.72 0.42 8.87 2.59 9.82 79.18 3.90 3.95 0.01 0.21 0.34 17 D C T 99.88 4.65 17.26 22.43 97.93 40.56 -85.77 5.44 96.58 0.30 3.12 5.71 8.79 82.50 0.87 1.82 0.00 0.17 0.14 18 A C C 18.25 20.18 9.41 28.52 115.72 130.84 -83.40 138.48 85.61 12.78 1.61 80.06 4.65 1.23 0.35 1.23 0.00 11.23 1.25 19 K C C 134.02 3.46 21.39 25.51 99.07 -170.32 -88.27 -27.17 81.11 18.06 0.83 40.86 37.96 2.10 0.17 0.60 0.00 17.75 0.56 20 S E E 35.82 8.50 22.91 32.33 142.37 0.77 -158.40 158.55 22.27 77.00 0.72 16.79 4.31 1.21 0.19 0.50 0.00 76.67 0.33 21 V E E 19.06 23.68 13.54 37.04 131.27 -165.55 -139.51 140.48 4.37 95.39 0.24 3.90 0.34 0.13 0.10 0.10 0.00 95.31 0.12 22 K E E 94.11 6.24 25.53 32.34 124.27 -167.73 -123.57 134.34 1.59 98.27 0.14 1.39 0.10 0.05 0.06 0.04 0.00 98.32 0.05 23 I E E 35.49 20.91 13.75 34.27 119.62 -154.33 -108.89 129.90 3.21 96.66 0.13 2.89 0.17 0.06 0.05 0.05 0.00 96.73 0.05 24 K E E 97.73 5.29 21.04 26.93 123.47 -171.85 -118.92 136.51 7.53 92.34 0.14 6.80 0.48 0.14 0.04 0.07 0.00 92.29 0.17 25 K E E 117.26 9.56 12.19 23.00 118.34 -147.99 -102.88 132.30 21.67 78.12 0.22 18.29 2.91 0.47 0.06 0.15 0.00 77.49 0.63 26 N C C 64.58 5.50 11.71 19.07 129.60 174.73 -120.44 168.80 73.12 26.64 0.24 66.40 4.26 0.69 0.05 0.19 0.00 27.54 0.88 27 K C T 176.82 0.76 12.13 12.46 93.08 -96.22 -63.17 -29.20 96.58 2.13 1.29 9.90 36.48 50.27 0.08 1.34 0.00 1.61 0.32 28 D C T 116.11 1.51 13.01 14.60 100.32 31.90 -100.26 -4.42 97.82 0.93 1.25 6.74 37.67 53.33 0.06 1.34 0.00 0.70 0.16 29 N C S 58.79 8.67 14.45 24.48 134.46 14.43 -151.02 158.19 66.87 32.19 0.94 23.26 35.11 9.37 0.08 0.97 0.00 29.92 1.28 30 V E E 29.34 14.98 14.18 30.39 117.19 -132.11 -102.72 130.32 24.54 75.42 0.03 22.15 1.26 0.12 0.00 0.02 0.00 76.16 0.29 31 K E E 60.02 10.04 21.27 32.30 124.78 -166.90 -118.64 139.07 2.93 97.07 0.00 2.58 0.14 0.00 0.00 0.00 0.00 97.24 0.04 32 F E E 15.48 20.87 16.80 37.93 127.20 -167.91 -124.03 143.15 0.29 99.71 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.00 33 K E E 64.05 9.78 24.43 34.82 120.83 -153.33 -113.75 131.75 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 8.05 22.17 16.38 39.03 123.20 -168.55 -119.26 135.02 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 35 R E E 98.76 7.23 21.91 29.89 116.36 -155.08 -105.49 125.57 1.55 98.44 0.00 1.36 0.08 0.00 0.00 0.00 0.00 98.50 0.05 36 C C C 23.06 14.82 11.80 27.21 130.20 173.39 -123.22 168.11 68.83 31.14 0.03 65.56 1.64 0.10 0.00 0.02 0.00 32.28 0.38 37 S C S 84.69 2.52 15.77 18.78 94.32 -88.38 -64.27 -34.49 99.49 0.36 0.15 1.65 75.95 21.98 0.01 0.12 0.00 0.24 0.05 38 R C S 169.11 2.07 15.28 17.62 102.72 14.07 -105.23 -14.26 99.51 0.37 0.12 1.20 76.56 21.84 0.00 0.10 0.00 0.25 0.04 39 Y E E 93.20 7.48 15.29 24.38 135.78 23.95 -144.66 154.15 32.67 67.30 0.04 25.86 5.65 0.28 0.00 0.04 0.00 67.66 0.51 40 L E E 64.17 12.25 16.01 29.05 119.68 -138.20 -109.61 131.26 2.23 97.77 0.00 2.07 0.07 0.00 0.00 0.00 0.00 97.79 0.07 41 Y E E 38.06 15.19 18.43 34.47 128.72 -173.72 -126.78 145.45 0.61 99.39 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.44 0.00 42 T E E 39.56 12.90 22.25 35.56 121.13 -149.28 -111.30 132.64 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 43 L E E 9.93 22.45 19.07 41.54 120.86 -164.88 -111.96 129.61 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 44 V E E 39.86 10.35 25.36 36.69 117.08 -155.22 -106.93 125.68 0.24 99.76 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.01 45 I E E 9.49 22.22 13.96 36.65 118.15 -161.99 -106.48 128.11 11.97 88.02 0.00 12.23 0.15 0.01 0.00 0.00 0.00 87.28 0.33 46 T C S 80.74 5.25 21.15 27.09 98.97 176.37 -98.90 -15.20 97.46 2.52 0.02 19.19 77.97 0.41 0.00 0.01 0.00 2.33 0.08 47 D C C 71.85 5.11 18.01 24.21 112.81 76.21 -102.46 114.16 99.04 0.67 0.28 65.43 33.07 0.71 0.18 0.08 0.00 0.29 0.25 48 K H H 111.11 9.72 13.09 24.07 92.72 -157.89 -62.43 -36.02 1.99 0.00 98.01 0.33 0.29 1.14 97.17 1.06 0.00 0.00 0.00 49 E H H 134.75 1.09 19.82 18.86 91.59 54.45 -63.54 -40.91 0.94 0.00 99.05 0.09 0.07 0.68 97.87 1.28 0.00 0.00 0.00 50 K H H 80.56 7.26 18.05 26.39 92.08 47.40 -66.38 -38.99 0.51 0.00 99.49 0.07 0.04 0.34 98.26 1.30 0.00 0.00 0.00 51 A H H 4.83 21.97 11.67 33.86 90.99 52.57 -62.72 -42.47 0.48 0.00 99.52 0.07 0.03 0.28 99.14 0.48 0.00 0.00 0.00 52 E H H 98.34 4.08 21.40 25.66 91.35 50.97 -63.46 -41.02 0.99 0.00 99.01 0.09 0.04 0.73 98.31 0.83 0.00 0.00 0.00 53 K H H 115.51 2.07 22.47 23.02 91.61 50.38 -64.21 -41.88 1.16 0.00 98.84 0.09 0.05 0.83 96.87 2.16 0.00 0.00 0.00 54 L H H 13.64 19.34 15.10 34.69 91.82 49.71 -64.48 -41.55 1.01 0.00 98.99 0.12 0.05 0.67 96.38 2.77 0.00 0.00 0.00 55 K H H 73.65 16.22 16.20 31.60 91.09 54.73 -62.51 -37.34 2.55 0.01 97.44 0.25 0.15 1.97 92.53 5.09 0.00 0.01 0.00 56 Q H H 141.06 1.20 20.34 20.19 91.26 54.86 -69.83 -24.70 28.97 0.02 71.01 0.38 0.57 29.10 65.01 4.90 0.02 0.01 0.02 57 S C T 66.56 5.52 18.16 24.44 95.09 52.64 -90.29 -6.54 60.08 0.04 39.88 1.01 1.93 56.99 36.20 3.81 0.00 0.01 0.04 58 L C S 23.76 22.26 8.85 29.61 118.74 106.20 -79.21 140.82 99.63 0.28 0.09 11.78 87.74 0.16 0.05 0.01 0.00 0.05 0.21 59 P C C 51.26 7.51 16.45 25.68 116.44 -106.40 -65.15 152.90 99.89 0.07 0.04 98.36 1.26 0.29 0.01 0.02 0.00 0.02 0.04 60 P C T 112.27 2.33 15.84 19.31 109.88 -83.03 -60.03 137.52 99.17 0.11 0.72 0.97 4.45 93.80 0.08 0.59 0.00 0.06 0.05 61 G C T 56.58 2.24 17.27 19.82 95.05 21.42 85.86 -3.79 98.98 0.26 0.76 1.42 4.24 93.30 0.05 0.74 0.00 0.19 0.04 62 L C C 31.63 19.09 9.99 28.46 118.17 120.78 -88.79 136.40 77.22 21.79 0.99 61.55 13.58 1.73 0.12 1.04 0.00 20.67 1.32 63 A E E 55.77 4.92 22.62 27.72 118.96 -147.52 -98.82 136.94 29.50 70.04 0.46 27.93 1.24 0.40 0.10 0.31 0.00 69.31 0.72 64 V E E 43.23 20.96 11.90 31.51 125.00 -164.87 -118.73 136.57 13.37 86.53 0.10 12.84 0.62 0.07 0.03 0.05 0.00 86.03 0.35 65 K E E 105.29 5.16 19.94 26.22 125.43 -172.71 -124.37 142.37 6.06 93.81 0.12 5.50 0.38 0.07 0.04 0.06 0.00 93.72 0.22 66 E E E 112.05 8.18 14.05 23.71 114.42 -125.71 -84.65 131.33 10.35 89.57 0.08 9.94 0.36 0.06 0.03 0.04 0.00 88.98 0.58 67 L C C 70.46 11.24 9.57 21.48 113.20 -148.00 -92.06 133.89 69.89 29.94 0.16 69.38 0.38 0.16 0.04 0.06 0.00 29.41 0.57 68 K C C 158.46 1.85 14.91 17.56 110.36 -130.44 -85.84 124.35 99.65 0.34 0.00 99.62 0.08 0.02 0.00 0.00 0.00 0.27 0.01