# 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 M C C 75.26 10.56 20.68 31.20 116.80 -150.48 -95.38 133.62 99.75 0.25 0.00 99.76 0.06 0.01 0.00 0.00 0.00 0.17 0.00 1 V E E 19.73 20.13 15.34 35.26 123.37 -157.85 -116.54 136.63 12.54 87.45 0.01 12.87 0.15 0.01 0.00 0.00 0.00 86.57 0.40 2 T E E 39.67 9.79 23.49 34.23 120.64 -158.65 -112.69 132.81 3.12 96.88 0.00 2.78 0.16 0.01 0.00 0.00 0.00 97.00 0.05 3 I E E 12.21 23.46 17.34 40.94 119.34 -162.04 -110.12 128.42 0.79 99.21 0.00 0.71 0.02 0.00 0.00 0.00 0.00 99.26 0.01 4 R E E 77.67 10.11 25.63 36.02 123.16 -169.83 -119.40 133.73 0.52 99.48 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.52 0.01 5 L E E 21.91 22.26 18.09 39.78 121.15 -158.18 -107.59 134.72 0.69 99.31 0.00 0.61 0.02 0.00 0.00 0.00 0.00 99.36 0.01 6 A E E 27.43 11.44 22.76 34.90 132.85 -171.56 -132.24 153.80 0.54 99.45 0.00 0.48 0.02 0.00 0.00 0.00 0.00 99.49 0.01 7 R E E 107.99 12.93 18.44 31.11 118.53 -125.72 -92.51 137.45 2.02 97.97 0.01 1.85 0.08 0.01 0.00 0.00 0.00 98.00 0.07 8 G E E 20.33 11.92 16.81 29.50 136.05 167.40 -146.29 175.44 20.56 79.41 0.04 18.11 1.51 0.14 0.01 0.02 0.00 79.91 0.30 9 G E E 36.49 4.97 15.89 22.50 129.98 43.93 116.71 -171.95 43.84 56.06 0.09 29.90 13.83 0.98 0.01 0.10 0.00 54.17 0.99 10 S C C 60.63 4.93 13.56 20.03 125.86 -70.55 -117.51 161.18 66.92 32.82 0.26 55.43 10.63 1.00 0.07 0.24 0.00 28.56 4.08 11 K C S 162.04 2.06 11.71 15.07 96.83 -93.96 -63.08 -28.13 98.60 0.69 0.71 2.02 54.42 42.33 0.02 0.63 0.00 0.44 0.13 12 K C S 173.35 0.80 13.87 13.49 97.25 24.25 -80.26 -12.69 98.85 0.43 0.72 1.98 54.26 42.73 0.02 0.66 0.00 0.28 0.08 13 R C S 115.75 5.74 13.45 20.73 114.60 37.76 -130.27 93.48 70.03 29.68 0.28 18.74 49.60 2.20 0.03 0.29 0.00 27.57 1.58 14 P C C 41.51 12.52 14.12 27.89 114.63 -152.29 -69.98 142.19 55.23 44.75 0.03 51.32 1.60 0.13 0.00 0.02 0.00 46.61 0.31 15 F E E 42.37 13.01 19.24 33.41 129.81 -172.71 -127.82 148.38 2.83 97.17 0.00 2.45 0.17 0.01 0.00 0.00 0.00 97.27 0.11 16 Y E E 35.11 18.35 19.35 37.51 125.59 -158.49 -117.99 140.70 0.35 99.65 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.00 17 H E E 36.66 15.07 24.03 39.09 130.89 -172.75 -130.68 146.26 0.19 99.81 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 18 L E E 11.05 22.27 21.37 43.55 118.79 -146.40 -108.34 129.26 0.10 99.90 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.00 19 T E E 13.99 17.00 24.99 42.06 126.76 -170.91 -121.77 142.33 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 20 V E E 12.63 20.55 22.62 43.10 119.20 -150.10 -108.72 130.21 0.46 99.54 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.57 0.01 21 T E E 15.68 15.52 20.28 36.61 133.66 173.27 -133.20 155.94 5.19 94.80 0.01 4.83 0.20 0.01 0.00 0.00 0.00 94.70 0.24 22 N E E 45.84 10.42 19.04 30.45 113.57 -103.90 -73.87 145.76 38.67 60.97 0.36 32.57 5.66 0.64 0.10 0.26 0.00 59.65 1.13 23 S C T 60.72 10.03 14.64 25.41 93.87 -117.88 -67.16 -22.68 82.78 2.62 14.60 6.41 29.88 47.91 2.05 11.06 0.04 1.72 0.93 24 R C T 172.58 1.71 16.45 17.95 96.17 59.25 -82.04 -14.55 81.95 1.77 16.29 6.85 29.03 47.37 2.50 12.38 0.03 1.01 0.84 25 N C S 70.49 8.43 11.65 21.27 112.80 53.62 -108.14 104.26 78.53 6.40 15.07 33.04 36.39 9.93 4.22 9.78 0.03 3.00 3.60 26 A C C 49.45 8.41 12.11 21.77 108.24 -142.87 -69.75 148.11 85.77 3.65 10.58 70.28 6.47 8.74 3.77 6.82 0.00 1.95 1.97 27 R C T 147.99 6.18 12.54 20.18 96.29 -100.46 -69.55 -24.95 81.38 2.02 16.61 13.24 17.49 50.38 3.22 13.36 0.02 1.05 1.25 28 D C T 109.35 2.31 15.39 18.02 97.72 47.64 -87.55 4.74 83.08 0.88 16.04 6.53 16.45 59.91 2.43 13.57 0.01 0.48 0.61 29 G C S 35.30 9.80 13.28 23.80 100.24 -98.04 83.75 5.13 87.73 3.31 8.95 32.12 37.01 18.59 1.15 8.10 0.00 1.91 1.12 30 R C C 117.81 6.45 17.60 25.10 113.40 127.98 -87.53 129.02 86.28 11.64 2.08 69.31 12.74 3.80 0.57 1.77 0.00 9.68 2.13 31 F E E 69.95 15.65 13.79 29.05 115.13 -144.36 -90.60 132.10 46.66 52.54 0.80 42.50 2.75 0.65 0.34 0.51 0.00 49.83 3.43 32 V E E 61.20 11.84 18.28 30.31 101.07 -171.92 -93.47 -30.44 33.46 66.05 0.49 24.21 8.40 0.44 0.15 0.30 0.00 66.12 0.37 33 E E E 79.50 8.40 21.80 30.54 135.71 -3.51 -147.59 149.43 5.00 94.13 0.87 4.25 0.60 0.23 0.37 0.48 0.00 93.89 0.19 34 R E E 110.27 13.24 18.57 31.46 111.79 -124.99 -85.06 122.81 2.43 97.34 0.23 2.52 0.11 0.03 0.15 0.09 0.00 96.90 0.19 35 I E E 24.27 18.25 18.33 36.88 100.91 175.60 -100.10 -25.31 4.38 95.55 0.07 3.15 1.06 0.14 0.02 0.03 0.00 95.54 0.06 36 G E E 8.04 12.89 21.85 36.04 145.32 -42.01 165.56 175.29 2.59 97.39 0.03 1.90 0.57 0.09 0.00 0.02 0.00 97.38 0.04 37 F E E 67.90 13.40 21.61 35.31 133.49 -104.22 -137.54 149.93 2.19 97.79 0.02 2.02 0.15 0.02 0.01 0.01 0.00 97.68 0.12 38 F E E 42.52 17.06 17.91 35.12 119.62 -141.99 -109.52 132.75 7.06 92.90 0.04 6.36 0.58 0.05 0.03 0.02 0.00 91.23 1.73 39 N C C 42.33 10.46 18.14 30.22 112.39 -166.17 -117.73 109.43 77.23 22.50 0.27 73.68 2.27 0.25 0.10 0.13 0.00 23.01 0.56 40 P C T 55.82 10.22 15.03 26.89 94.62 -163.12 -66.94 -23.76 63.50 11.12 25.37 24.71 14.67 25.63 10.15 14.13 0.13 8.83 1.75 41 V C T 93.28 4.20 15.40 20.45 97.41 57.91 -82.60 -15.50 57.99 10.52 31.49 17.12 16.78 25.78 13.00 16.74 0.69 6.38 3.51 42 A C C 52.00 8.53 9.77 19.52 104.22 82.57 -77.99 26.77 57.47 8.36 34.17 26.34 15.40 17.64 11.87 20.73 0.17 4.84 3.01 43 T C T 95.24 3.78 11.17 16.40 105.05 46.75 -90.80 60.17 72.10 4.14 23.77 17.29 17.04 38.47 9.58 13.17 0.13 2.31 2.00 44 G C T 62.69 1.13 12.29 13.50 99.32 -38.14 75.33 3.42 86.53 0.98 12.49 13.62 20.27 52.99 3.73 8.28 0.00 0.51 0.60 45 G C S 49.88 4.11 11.18 16.85 104.16 -63.81 77.14 8.58 87.90 3.08 9.02 29.41 33.17 25.84 1.73 6.96 0.00 1.69 1.20 46 E C C 124.97 3.94 12.41 17.94 113.41 134.92 -86.31 132.46 81.38 11.33 7.29 53.38 20.03 8.45 1.89 5.44 0.00 8.82 1.99 47 V C C 71.88 9.40 12.53 23.14 117.95 -139.76 -100.77 131.88 71.58 23.31 5.12 59.79 7.77 3.35 1.62 3.19 0.00 22.67 1.62 48 R E E 128.21 7.44 16.33 25.14 119.63 -154.28 -105.43 132.39 47.82 49.78 2.40 40.63 5.30 1.53 1.23 1.24 0.00 47.45 2.62 49 L E E 38.85 17.57 14.06 31.42 124.51 -166.44 -117.12 138.83 25.05 74.17 0.78 22.28 2.06 0.43 0.56 0.31 0.00 72.54 1.83 50 S E E 57.56 7.70 22.22 30.77 126.15 -161.94 -120.43 142.66 15.91 83.72 0.37 14.29 1.27 0.21 0.31 0.14 0.00 81.44 2.34 51 V E E 20.25 22.23 12.78 34.49 121.49 -151.02 -109.80 135.58 29.05 70.73 0.21 27.82 0.95 0.10 0.18 0.07 0.00 66.44 4.44 52 D C C 67.49 6.62 19.94 27.45 105.95 -120.99 -82.62 108.81 83.41 16.29 0.31 82.98 0.77 0.10 0.22 0.05 0.00 15.21 0.66 53 Q H H 86.72 11.99 14.22 26.74 93.89 -163.72 -64.33 -35.78 2.08 0.01 97.91 0.57 0.23 1.01 97.71 0.48 0.00 0.00 0.00 54 E H H 136.52 1.17 20.73 19.95 91.72 54.97 -63.96 -40.81 0.72 0.00 99.28 0.09 0.05 0.48 98.94 0.43 0.00 0.00 0.00 55 R H H 81.46 9.87 18.39 28.99 92.11 48.54 -66.02 -40.64 0.30 0.00 99.70 0.04 0.02 0.17 99.38 0.37 0.00 0.00 0.00 56 A H H 4.82 22.72 13.08 35.91 91.50 51.69 -62.94 -42.63 0.14 0.00 99.86 0.02 0.01 0.07 99.82 0.08 0.00 0.00 0.00 57 T H H 70.94 4.65 21.31 26.19 91.44 51.05 -63.32 -41.34 0.17 0.00 99.83 0.02 0.01 0.11 99.82 0.05 0.00 0.00 0.00 58 Y H H 118.49 2.82 21.40 23.49 91.68 49.96 -63.78 -42.60 0.25 0.00 99.74 0.02 0.01 0.18 99.72 0.08 0.00 0.00 0.00 59 W H H 27.94 17.05 15.18 32.71 92.06 49.54 -64.72 -42.56 0.61 0.00 99.39 0.07 0.04 0.41 99.26 0.22 0.00 0.00 0.00 60 L H H 55.74 14.75 14.49 29.09 91.86 50.88 -64.24 -39.08 1.66 0.00 98.33 0.10 0.07 1.41 97.85 0.56 0.00 0.00 0.00 61 G H H 59.89 1.21 17.54 18.13 90.58 56.37 -67.30 -23.32 13.13 0.02 86.85 0.31 0.44 12.80 85.71 0.70 0.01 0.00 0.01 62 Q C T 112.97 3.94 15.01 20.13 93.84 55.12 -89.05 1.33 86.92 0.03 13.05 0.29 1.44 84.84 12.83 0.57 0.00 0.01 0.03 63 G C T 50.81 2.65 19.10 21.72 99.86 -96.51 93.15 7.53 96.96 0.02 3.02 1.45 1.76 93.14 3.49 0.12 0.00 0.01 0.01 64 A C C 17.19 20.62 9.42 29.08 117.48 151.25 -74.14 144.33 98.06 1.85 0.09 96.75 1.29 0.18 0.03 0.03 0.00 1.37 0.35 65 Q C C 123.78 2.66 23.84 26.58 118.20 -143.96 -107.22 131.52 83.82 16.14 0.04 83.09 1.52 0.08 0.01 0.02 0.00 13.86 1.41 66 P C C 44.11 20.22 12.64 31.53 116.55 -116.22 -70.01 145.84 77.80 22.14 0.07 78.39 0.93 0.05 0.04 0.02 0.00 14.75 5.81 67 S C C 33.15 10.36 15.47 27.20 120.31 -120.49 -76.93 162.56 97.74 2.16 0.10 97.57 0.57 0.04 0.07 0.01 0.00 1.09 0.65 68 E H H 150.75 1.48 17.85 19.17 91.04 -108.53 -60.07 -35.52 1.08 0.00 98.91 0.14 0.16 0.60 98.94 0.15 0.00 0.00 0.00 69 R H H 115.68 5.80 18.98 25.51 91.89 53.63 -64.32 -41.09 0.47 0.00 99.53 0.05 0.03 0.30 99.49 0.13 0.00 0.00 0.00 70 V H H 8.81 22.03 14.63 36.58 91.86 48.40 -65.25 -42.28 0.13 0.00 99.87 0.02 0.01 0.07 99.83 0.08 0.00 0.00 0.00 71 A H H 30.36 10.61 18.17 30.05 91.27 52.12 -62.37 -42.25 0.05 0.00 99.95 0.00 0.00 0.02 99.96 0.02 0.00 0.00 0.00 72 Q H H 102.44 2.09 23.55 23.93 91.43 50.37 -64.06 -41.78 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 73 L H H 33.29 12.74 19.41 32.99 91.86 50.19 -64.18 -42.88 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 74 L H H 21.34 19.30 17.12 36.16 91.94 49.64 -64.26 -41.70 0.24 0.00 99.76 0.03 0.01 0.14 99.78 0.03 0.00 0.00 0.00 75 K H H 113.77 4.24 21.40 26.09 91.67 50.62 -63.47 -41.66 0.55 0.00 99.45 0.09 0.03 0.33 99.48 0.07 0.00 0.00 0.00 76 D H H 81.11 2.76 20.92 23.06 92.06 49.06 -65.40 -40.33 1.23 0.00 98.77 0.16 0.08 0.80 98.80 0.15 0.00 0.00 0.00 77 A H H 22.41 11.72 14.97 28.26 92.00 50.85 -65.18 -39.86 3.12 0.01 96.87 0.60 0.28 1.88 96.85 0.38 0.00 0.00 0.00 78 A H H 42.86 8.95 14.28 24.60 92.30 52.78 -64.66 -38.22 8.57 0.05 91.37 2.22 0.90 4.95 90.95 0.92 0.01 0.02 0.02 79 K H H 141.64 1.67 15.50 17.17 92.69 52.26 -67.20 -34.33 16.24 0.12 83.64 4.45 1.97 9.44 82.42 1.59 0.01 0.05 0.06 80 A H H 75.83 2.68 12.47 16.27 94.84 55.70 -71.95 -26.18 30.08 0.33 69.59 9.21 4.16 16.80 67.71 1.80 0.02 0.12 0.18 81 N C H 107.53 3.77 10.48 15.84 99.18 57.01 -83.26 -7.38 59.47 0.38 40.15 32.51 1.34 22.64 41.77 1.35 0.00 0.15 0.23 82 A C C 73.85 4.74 10.97 17.37 103.60 82.89 -77.72 8.41 99.93 0.02 0.04 99.81 0.06 0.08 0.03 0.00 0.00 0.01 0.00