# 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 110.46 7.25 15.44 23.57 114.69 -131.36 -91.71 129.23 99.90 0.09 0.00 99.88 0.05 0.01 0.00 0.00 0.00 0.05 0.00 1 A C C 46.62 10.08 13.66 24.75 115.63 -131.62 -83.66 142.04 88.73 11.18 0.10 88.65 0.39 0.23 0.02 0.04 0.00 10.13 0.55 2 T E E 70.38 8.60 16.39 25.98 123.56 -148.63 -112.88 140.32 44.97 54.95 0.08 36.88 6.60 0.34 0.01 0.08 0.00 55.50 0.59 3 Y E E 37.74 17.34 14.22 31.84 128.30 -168.91 -127.26 144.31 6.16 93.83 0.01 5.46 0.41 0.02 0.00 0.01 0.00 93.97 0.12 4 K E E 105.12 6.36 23.00 29.94 118.02 -141.26 -104.25 129.67 1.45 98.55 0.00 1.31 0.04 0.00 0.00 0.00 0.00 98.63 0.02 5 V E E 7.11 23.92 14.15 38.36 126.23 -171.44 -122.97 139.83 0.71 99.29 0.00 0.66 0.01 0.00 0.00 0.00 0.00 99.32 0.01 6 R E E 92.90 7.57 25.25 33.36 118.20 -150.93 -109.30 128.47 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 7 L E E 8.38 23.36 16.12 39.92 119.29 -162.35 -110.05 128.31 0.34 99.66 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.00 8 L E E 53.05 8.18 21.57 31.05 116.63 -156.67 -107.21 124.98 3.36 96.62 0.02 2.93 0.22 0.02 0.00 0.01 0.00 96.72 0.09 9 S E E 15.11 14.80 11.98 28.17 110.48 -152.27 -94.85 117.39 29.08 70.81 0.11 26.49 1.63 0.20 0.02 0.07 0.00 71.01 0.58 10 E C T 130.48 3.40 14.31 19.35 94.52 -158.11 -68.31 -31.34 84.77 0.79 14.44 3.00 7.57 72.38 0.64 15.63 0.00 0.53 0.23 11 A C T 87.37 1.35 13.39 14.76 94.82 52.69 -70.21 -36.98 85.91 0.28 13.81 1.18 5.27 77.92 0.49 14.85 0.00 0.16 0.11 12 E C T 116.79 3.56 12.37 17.00 98.58 23.96 -97.72 -8.52 87.10 0.18 12.72 1.21 4.05 80.21 0.37 13.99 0.00 0.11 0.06 13 G C T 49.89 3.13 13.50 18.03 96.67 -121.57 74.31 10.13 98.17 1.09 0.74 22.31 7.91 67.97 0.11 0.59 0.00 0.95 0.15 14 I E E 63.08 9.01 11.84 22.69 119.38 140.10 -103.55 134.64 44.12 55.82 0.06 40.72 2.01 0.21 0.01 0.05 0.00 56.24 0.76 15 D E E 87.95 7.42 15.67 24.79 119.75 -167.57 -118.41 126.11 8.48 91.51 0.01 7.09 0.88 0.04 0.00 0.01 0.00 91.91 0.07 16 V E E 48.73 12.28 16.21 29.51 126.68 -169.44 -126.81 140.12 0.49 99.51 0.00 0.42 0.02 0.00 0.00 0.00 0.00 99.56 0.00 17 T E E 71.14 10.11 18.27 29.28 123.23 -153.19 -115.95 134.98 0.24 99.76 0.00 0.21 0.01 0.00 0.00 0.00 0.00 99.78 0.00 18 I E E 18.93 18.59 15.91 35.05 124.39 -170.80 -123.41 136.47 0.42 99.58 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.59 0.01 19 D E E 89.09 5.36 24.04 30.30 113.45 -135.75 -89.61 125.97 2.45 97.55 0.00 2.27 0.07 0.00 0.00 0.00 0.00 97.62 0.04 20 C E E 10.04 21.98 12.41 34.13 135.72 169.91 -139.04 157.62 22.57 77.43 0.01 22.01 0.46 0.01 0.00 0.00 0.00 76.79 0.72 21 A C C 47.56 4.74 21.87 26.71 116.83 -100.75 -70.55 153.94 58.41 41.55 0.04 56.95 1.61 0.13 0.01 0.03 0.00 39.13 2.15 22 D C T 75.96 12.78 14.25 27.06 92.43 -107.48 -62.81 -26.03 99.26 0.52 0.22 0.36 5.29 93.78 0.01 0.16 0.00 0.33 0.07 23 D C T 112.49 2.33 19.87 22.30 95.71 48.88 -90.07 3.34 99.61 0.24 0.16 0.56 4.84 94.26 0.01 0.13 0.00 0.18 0.02 24 V C S 43.17 12.15 17.06 30.33 123.59 95.04 -104.75 142.98 94.24 5.54 0.21 43.40 51.74 0.39 0.08 0.11 0.00 2.44 1.85 25 Y C C 58.51 13.49 23.71 37.17 117.29 -116.17 -78.35 144.71 60.39 39.29 0.32 60.49 0.72 0.03 0.32 0.02 0.00 4.51 33.90 26 I H H 1.98 27.25 20.81 49.16 91.33 -120.35 -59.90 -39.93 1.07 0.01 98.92 0.21 0.12 0.59 98.84 0.23 0.00 0.00 0.00 27 L H H 15.85 21.56 22.85 43.45 91.11 52.69 -62.86 -42.59 0.49 0.00 99.50 0.13 0.03 0.26 99.37 0.19 0.00 0.00 0.00 28 D H H 64.52 4.42 27.39 32.05 91.33 49.08 -64.43 -40.75 0.21 0.01 99.78 0.07 0.02 0.10 99.60 0.21 0.00 0.00 0.00 29 A H H 7.45 14.95 20.14 36.65 91.42 50.85 -63.42 -42.96 0.17 0.01 99.82 0.04 0.02 0.09 99.76 0.10 0.00 0.00 0.00 30 A H H 2.91 22.90 15.15 38.74 91.23 50.65 -63.13 -43.59 0.35 0.01 99.64 0.07 0.03 0.22 99.56 0.11 0.00 0.01 0.00 31 E H H 104.44 7.05 18.34 26.39 91.69 50.25 -63.26 -41.22 0.61 0.00 99.39 0.06 0.03 0.46 99.22 0.23 0.00 0.00 0.00 32 E H H 138.78 1.99 17.99 20.23 90.60 52.57 -65.15 -30.18 4.45 0.01 95.54 0.09 0.10 4.46 94.97 0.37 0.01 0.00 0.00 33 Q C T 82.50 9.48 13.65 24.26 93.51 50.24 -89.98 0.89 71.87 0.02 28.11 0.18 0.57 70.80 27.99 0.44 0.00 0.00 0.01 34 G C T 60.98 1.08 19.64 19.10 93.96 -109.29 78.45 17.98 99.89 0.00 0.10 0.83 0.63 98.49 0.04 0.01 0.00 0.00 0.00 35 V C C 25.55 19.34 10.08 28.85 115.99 143.27 -96.11 131.42 98.17 1.79 0.04 97.18 1.24 0.07 0.01 0.01 0.00 1.00 0.48 36 D C C 106.37 2.57 23.66 26.08 108.84 -135.39 -88.24 113.08 91.37 8.56 0.06 90.90 1.23 0.20 0.02 0.03 0.00 5.51 2.11 37 L C C 18.97 24.17 12.33 35.79 118.62 -168.79 -106.96 127.70 92.58 7.36 0.06 91.18 1.98 0.13 0.02 0.03 0.00 4.76 1.89 38 P C C 61.52 8.69 23.27 32.34 107.76 -131.69 -71.69 130.51 95.11 4.65 0.24 67.14 25.97 2.11 0.04 0.24 0.00 3.37 1.13 39 Y C C 72.07 16.32 18.58 34.14 136.16 47.71 -140.96 151.93 77.87 21.27 0.85 45.94 29.94 2.80 0.28 0.62 0.00 10.11 10.30 40 S C C 43.56 12.66 21.23 33.54 122.04 -136.48 -105.65 146.75 81.61 17.20 1.19 68.47 10.05 2.08 0.40 0.85 0.00 9.24 8.90 41 C C C 22.42 20.71 14.51 34.25 99.49 -149.81 -90.99 3.93 88.43 9.42 2.15 76.81 7.82 2.92 0.79 1.40 0.00 4.81 5.46 42 R C C 146.98 6.32 20.85 28.11 96.70 -146.97 33.27 -0.65 86.08 10.14 3.78 46.63 28.28 10.55 0.83 3.13 0.01 3.65 6.92 43 A C T 56.47 9.05 18.33 27.79 96.51 56.28 -85.58 -0.13 88.91 4.01 7.09 9.92 37.05 41.17 0.78 6.66 0.02 1.91 2.50 44 G C T 35.15 12.33 16.62 28.61 96.90 -106.32 79.90 7.53 90.89 1.46 7.65 10.00 34.73 45.01 0.62 8.01 0.00 0.73 0.90 45 A C S 52.24 8.88 20.56 29.97 96.00 119.15 -84.67 -21.46 87.08 5.08 7.84 19.73 39.22 27.09 0.93 7.28 0.03 2.10 3.61 46 C C C 20.53 19.27 15.88 34.55 123.31 34.66 -128.31 134.48 82.23 9.92 7.85 34.61 30.76 16.38 1.41 6.32 0.02 3.81 6.70 47 S C S 58.56 10.80 21.94 32.99 94.38 -154.01 -74.26 -13.80 82.01 5.61 12.38 21.24 33.70 25.87 1.23 12.44 0.01 3.13 2.36 48 T C S 57.99 11.35 24.65 36.33 95.31 70.41 -84.50 -11.54 80.17 8.73 11.11 18.22 31.19 30.80 1.08 10.36 0.02 5.71 2.63 49 C C C 5.21 24.30 20.48 44.54 99.74 75.10 -90.14 24.86 68.81 23.30 7.88 41.70 17.02 9.79 0.67 7.93 0.00 20.02 2.87 50 A E E 13.47 18.40 25.08 43.41 120.43 129.72 -86.61 143.98 31.94 67.86 0.20 26.66 5.02 0.41 0.07 0.15 0.00 65.78 1.92 51 G E E 3.92 22.65 22.38 44.05 142.56 163.50 -151.52 169.28 3.19 96.80 0.01 2.80 0.31 0.02 0.00 0.00 0.00 96.72 0.14 52 K E E 88.14 8.60 26.94 36.65 122.76 -111.08 -111.77 138.90 0.50 99.50 0.00 0.46 0.02 0.00 0.00 0.00 0.00 99.48 0.04 53 V E E 18.89 22.42 13.81 36.15 110.51 -121.35 -79.75 123.41 3.85 96.13 0.01 3.96 0.06 0.01 0.00 0.00 0.00 95.66 0.30 54 S E E 57.38 5.73 21.12 27.63 100.65 176.68 -96.81 -29.10 30.27 69.56 0.17 18.79 9.48 1.82 0.02 0.17 0.00 69.38 0.34 55 E C E 116.52 2.49 21.06 23.75 136.67 3.94 -147.65 153.04 54.54 45.30 0.17 4.97 41.84 6.61 0.01 0.17 0.00 45.89 0.51 56 G C S 37.58 4.00 19.69 24.48 127.42 24.63 95.94 -164.70 78.92 20.99 0.10 16.88 57.72 2.64 0.01 0.10 0.00 22.24 0.42 57 T C C 85.83 5.05 21.42 27.77 124.27 -56.58 -117.44 142.40 71.18 28.66 0.17 67.08 3.07 0.55 0.04 0.15 0.00 26.60 2.51 58 I E C 18.16 23.18 11.12 33.83 123.06 -161.62 -116.09 136.78 43.86 55.92 0.22 40.59 1.74 0.26 0.12 0.13 0.00 40.26 16.91 59 D C C 73.38 5.51 23.37 28.89 110.19 -142.70 -94.22 115.34 72.00 27.71 0.28 68.23 2.50 0.45 0.08 0.20 0.00 25.90 2.65 60 Q C G 62.30 18.07 12.58 29.88 95.88 -158.54 -75.09 -11.09 56.80 3.10 40.10 28.15 9.34 19.77 4.41 35.52 0.00 2.02 0.78 61 S C G 79.28 3.13 18.20 22.10 93.17 75.78 -70.69 -19.33 57.72 1.30 40.98 12.19 12.17 33.30 4.67 36.38 0.01 0.72 0.57 62 D C G 73.76 7.72 16.42 25.08 99.37 59.56 -94.20 13.90 57.64 1.42 40.94 27.64 11.15 18.67 5.08 36.14 0.00 0.75 0.56 63 Q C G 52.21 19.07 11.61 29.11 98.55 117.78 -78.65 3.41 55.85 1.58 42.58 36.68 7.41 9.89 5.45 39.12 0.00 0.88 0.57 64 S C G 75.16 3.95 20.99 25.61 94.19 107.75 -75.79 -16.45 52.26 1.92 45.82 16.05 11.85 24.13 3.81 42.39 0.01 1.11 0.65 65 F C G 71.56 12.93 18.02 31.15 96.67 61.04 -89.97 -8.04 51.72 3.72 44.57 15.26 12.57 25.16 3.41 40.11 0.04 2.12 1.32 66 L C C 17.91 23.08 10.55 32.58 118.04 89.39 -92.83 136.74 91.21 5.71 3.08 50.79 38.34 1.77 1.51 1.27 0.00 1.54 4.78 67 D C C 73.56 5.06 18.95 24.32 121.42 -138.28 -88.06 163.56 99.19 0.36 0.46 96.75 2.19 0.35 0.29 0.08 0.00 0.13 0.20 68 D H H 113.81 2.94 14.02 18.74 93.12 -104.01 -61.14 -34.51 15.63 0.07 84.30 1.64 2.76 11.45 80.15 3.84 0.07 0.03 0.05 69 D H H 109.51 1.53 16.68 17.60 92.94 55.00 -68.54 -32.87 13.51 0.10 86.39 1.26 1.64 10.83 81.64 4.45 0.08 0.05 0.05 70 Q H H 37.84 14.89 12.28 27.28 94.09 50.75 -72.44 -33.49 10.30 0.71 88.99 2.83 1.78 6.42 81.15 6.88 0.21 0.41 0.32 71 T H H 40.68 16.16 11.77 27.25 92.77 58.26 -64.31 -39.39 8.33 0.73 90.93 2.26 1.20 5.34 83.71 6.63 0.11 0.51 0.23 72 G H H 59.94 1.35 17.82 18.40 91.46 55.36 -66.22 -24.14 23.37 0.59 76.04 2.02 1.93 19.36 68.74 7.07 0.28 0.35 0.26 73 A C T 66.70 4.74 16.72 22.42 92.90 57.49 -85.69 -3.68 81.22 0.09 18.68 0.63 2.23 79.56 14.03 3.43 0.00 0.04 0.08 74 G C T 29.73 8.75 18.63 28.51 98.58 -101.98 90.22 7.70 99.44 0.14 0.42 1.54 3.71 94.37 0.12 0.15 0.00 0.08 0.03 75 F E E 35.13 18.05 18.43 36.37 121.60 131.06 -99.08 142.11 49.06 50.88 0.06 43.86 4.29 0.25 0.02 0.05 0.00 48.53 3.01 76 V E E 17.41 19.05 24.05 42.63 120.96 -154.97 -114.39 132.51 14.01 85.94 0.04 12.32 1.15 0.10 0.02 0.03 0.00 80.56 5.82 77 L E E 9.78 23.05 24.42 47.19 110.43 -120.09 -73.41 126.69 25.99 73.93 0.07 25.32 0.81 0.11 0.02 0.05 0.00 72.19 1.51 78 T C E 12.98 22.05 25.76 46.97 99.61 -173.97 -92.27 -26.40 50.99 47.57 1.44 26.46 22.96 2.69 0.21 1.22 0.00 45.83 0.62 79 C E E 7.55 22.17 25.83 47.02 136.57 15.58 -145.15 150.64 28.34 70.08 1.58 13.35 13.80 3.00 0.24 1.22 0.00 67.80 0.60 80 V E E 26.64 19.93 26.07 44.53 126.67 -158.44 -126.61 136.00 13.43 85.34 1.23 11.43 1.91 0.62 0.49 0.63 0.00 83.28 1.63 81 A E E 7.07 22.04 21.79 43.49 131.58 -171.78 -134.35 147.14 16.91 82.99 0.10 15.99 0.83 0.09 0.05 0.05 0.00 79.06 3.93 82 Y C C 88.09 11.11 25.69 36.88 116.18 -137.07 -102.98 126.22 62.67 37.30 0.03 58.38 3.00 0.11 0.01 0.02 0.00 37.56 0.91 83 P C C 18.99 22.57 13.45 35.49 113.13 -117.08 -69.33 141.42 76.70 22.38 0.92 55.94 15.80 4.96 0.14 0.94 0.00 20.23 1.98 84 T C S 92.20 3.76 21.88 25.94 98.84 75.80 -99.42 -6.76 92.81 6.29 0.89 29.65 56.44 7.00 0.11 0.89 0.00 4.49 1.42 85 S C S 43.32 6.33 19.99 27.05 137.05 33.73 -138.92 168.74 94.26 5.41 0.33 9.84 81.84 2.86 0.02 0.27 0.00 4.71 0.47 86 D C C 95.69 4.74 21.63 27.22 112.08 -79.48 -70.58 135.52 85.04 14.70 0.26 72.32 9.81 1.54 0.02 0.31 0.00 15.42 0.58 87 C E E 10.67 23.91 12.76 36.36 129.74 -172.35 -127.17 148.65 21.29 78.68 0.03 20.61 0.73 0.06 0.01 0.02 0.00 77.92 0.65 88 T E E 53.14 8.14 26.74 35.69 120.73 -153.66 -113.25 132.25 1.88 98.12 0.00 1.81 0.06 0.00 0.00 0.00 0.00 98.00 0.12 89 I E E 10.74 24.08 17.42 41.77 118.16 -157.42 -108.46 126.05 1.79 98.19 0.02 1.71 0.07 0.01 0.01 0.00 0.00 98.12 0.08 90 L E E 48.56 10.49 24.58 35.56 119.72 -166.25 -108.66 131.45 8.95 90.93 0.12 8.53 0.36 0.07 0.04 0.05 0.00 90.61 0.33 91 T C C 22.43 19.35 16.96 35.77 120.70 -163.54 -109.30 147.45 53.47 44.24 2.29 46.95 4.13 1.30 0.75 1.30 0.00 44.55 1.03 92 H C C 76.69 11.58 17.80 29.54 102.11 -116.59 -76.34 19.51 78.61 8.50 12.89 45.80 24.61 9.51 5.08 6.90 0.01 6.79 1.29 93 Q C C 84.89 7.20 16.98 25.05 107.03 99.72 -86.24 92.61 76.37 1.91 21.72 53.71 13.12 9.87 10.19 11.29 0.00 1.08 0.73 94 E H G 86.82 10.75 12.41 23.69 96.46 98.51 -69.20 -31.11 41.29 0.87 57.84 26.62 6.07 8.46 15.23 42.86 0.00 0.49 0.28 95 E H G 122.58 3.71 13.40 18.47 95.25 61.52 -71.74 -25.72 27.42 0.66 71.93 10.52 4.70 12.03 15.68 56.48 0.00 0.38 0.21 96 S H G 68.13 4.74 12.28 18.46 97.19 60.54 -77.64 -14.50 29.50 0.87 69.63 11.86 4.54 13.26 13.30 56.26 0.00 0.53 0.25 97 L C G 75.56 10.15 9.26 19.94 100.98 68.21 -84.59 -6.47 49.56 1.19 49.25 33.48 3.31 13.46 11.78 36.79 0.00 0.66 0.52 98 Y C C 133.92 6.57 12.66 20.49 110.16 111.36 -91.70 105.01 99.84 0.07 0.09 99.58 0.18 0.13 0.06 0.01 0.00 0.03 0.02