# 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 V C C 55.19 14.61 17.06 31.37 114.71 -157.86 -96.18 119.40 99.44 0.55 0.02 99.50 0.10 0.03 0.01 0.00 0.00 0.33 0.04 1 L C C 66.18 12.18 13.48 26.11 118.69 -163.79 -100.15 138.70 86.57 12.26 1.17 84.96 0.94 1.08 0.55 0.36 0.00 10.01 2.10 2 Q C C 120.67 3.92 16.75 21.86 112.11 -124.85 -85.14 130.78 82.86 14.92 2.22 67.81 10.18 4.05 0.64 1.55 0.00 14.16 1.61 3 L C C 70.74 14.63 13.14 27.31 112.28 -136.21 -85.48 128.89 82.37 14.03 3.60 62.44 13.04 6.03 0.60 3.24 0.00 13.49 1.15 4 E C C 97.07 8.29 21.00 29.38 107.66 -155.61 -101.61 14.15 77.17 20.66 2.17 42.05 25.61 9.80 0.26 2.04 0.00 19.17 1.06 5 G E E 8.07 16.05 20.51 36.50 138.23 -46.67 153.71 -175.14 48.63 50.22 1.15 29.56 13.40 6.15 0.12 1.10 0.00 49.11 0.56 6 V E E 27.53 15.93 24.97 40.85 127.74 -99.07 -125.69 141.80 7.51 92.46 0.04 6.81 0.53 0.05 0.01 0.02 0.00 92.31 0.27 7 V E E 2.67 26.15 21.81 48.34 121.78 -159.00 -115.13 130.84 1.36 98.64 0.00 1.26 0.06 0.01 0.00 0.00 0.00 98.65 0.02 8 H E E 32.33 15.37 28.48 44.09 117.83 -159.55 -109.23 126.03 0.44 99.56 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.57 0.01 9 I E E 3.21 26.26 21.49 48.21 119.40 -165.36 -114.73 126.03 0.36 99.64 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.65 0.01 10 L E E 45.83 11.91 27.71 40.03 120.79 -170.46 -116.75 130.27 0.66 99.34 0.00 0.60 0.03 0.00 0.00 0.00 0.00 99.36 0.02 11 N E E 32.15 21.07 18.17 37.98 122.89 -163.53 -112.56 134.92 9.04 90.95 0.01 7.72 0.75 0.06 0.00 0.01 0.00 91.29 0.17 12 T C C 42.74 8.71 21.79 30.91 132.74 176.57 -124.77 173.06 65.68 34.24 0.07 60.14 3.58 0.27 0.02 0.05 0.00 35.24 0.71 13 S C S 70.47 7.29 18.09 26.30 91.92 -89.02 -63.14 -33.02 99.09 0.51 0.39 1.72 54.78 42.73 0.02 0.33 0.00 0.33 0.09 14 N C S 91.96 6.72 18.66 25.96 102.53 21.62 -108.88 -3.99 99.26 0.39 0.35 1.81 53.28 44.27 0.01 0.31 0.00 0.26 0.06 15 N E E 40.13 12.19 20.42 33.06 140.17 23.63 -149.77 158.47 40.66 59.21 0.13 29.31 10.13 1.07 0.02 0.13 0.00 58.82 0.51 16 I E E 8.70 23.19 18.07 41.88 121.45 -138.70 -115.99 130.54 2.65 97.35 0.00 2.39 0.07 0.00 0.00 0.00 0.00 97.51 0.03 17 V E E 21.82 13.89 26.89 41.66 118.43 -162.93 -112.90 126.12 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 18 L E E 2.95 25.92 21.80 48.21 119.71 -165.23 -112.79 128.64 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 19 T E E 17.80 15.38 28.20 44.01 122.67 -167.01 -117.17 134.19 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 20 L E E 2.75 25.52 22.31 48.38 120.39 -162.95 -112.96 129.22 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 21 T E E 15.57 14.01 23.63 38.48 133.66 172.19 -129.93 158.50 0.29 99.71 0.00 0.28 0.00 0.00 0.00 0.00 0.00 99.66 0.06 22 D C C 28.00 12.97 19.42 33.04 123.74 -119.69 -80.82 176.74 75.12 24.84 0.03 75.22 0.44 0.07 0.00 0.02 0.00 23.56 0.69 23 K C T 111.83 11.65 15.71 27.67 90.95 -89.99 -65.17 -19.23 99.44 0.11 0.45 0.18 2.49 96.85 0.01 0.39 0.00 0.06 0.02 24 E C T 139.48 1.56 18.39 18.97 93.00 55.93 -88.60 1.11 99.41 0.06 0.53 0.18 2.47 96.85 0.01 0.45 0.00 0.03 0.01 25 G C S 30.13 12.72 12.78 25.66 95.97 -104.61 84.77 7.15 99.33 0.32 0.35 28.80 69.38 1.21 0.05 0.28 0.00 0.14 0.16 26 R C C 132.08 3.10 19.99 23.68 116.27 142.23 -83.65 138.00 97.33 2.57 0.09 93.71 3.63 0.24 0.04 0.04 0.00 1.17 1.17 27 V E E 62.21 16.07 13.60 29.25 110.27 -116.51 -75.59 124.49 2.07 97.93 0.01 2.10 0.09 0.00 0.00 0.00 0.00 96.69 1.11 28 K E E 81.23 9.95 19.89 30.54 101.68 174.14 -99.20 -31.32 1.85 98.15 0.00 1.20 0.48 0.01 0.00 0.00 0.00 98.30 0.01 29 A E E 21.56 13.60 21.50 35.94 142.65 1.10 -157.03 153.27 0.31 99.69 0.00 0.24 0.02 0.00 0.00 0.00 0.00 99.73 0.00 30 W E E 86.90 19.91 19.54 37.51 133.11 -168.26 -140.59 141.54 0.38 99.62 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.01 31 T E E 21.22 16.55 23.23 39.66 135.77 175.55 -139.12 151.65 2.02 97.98 0.00 1.93 0.06 0.00 0.00 0.00 0.00 97.92 0.09 32 T E E 26.13 15.23 24.27 39.29 126.87 -149.82 -113.19 150.93 40.07 59.89 0.04 38.86 0.91 0.05 0.01 0.02 0.00 59.61 0.53 33 P H G 13.25 22.66 16.65 39.36 92.32 -114.35 -60.88 -33.51 36.08 1.36 62.56 8.99 5.40 20.55 25.58 38.06 0.08 0.93 0.41 34 S H G 49.63 11.17 19.99 31.32 91.40 62.64 -67.55 -24.07 27.78 0.58 71.64 4.12 3.58 17.95 28.62 45.11 0.05 0.34 0.23 35 S H G 65.35 6.64 20.70 27.89 92.53 59.78 -76.59 -16.13 26.69 0.91 72.40 5.07 4.39 15.93 28.25 45.39 0.08 0.53 0.35 36 V C T 48.27 14.87 15.03 29.68 101.18 55.73 -91.39 0.69 49.06 2.15 48.79 6.18 9.71 31.29 24.01 25.76 0.53 1.15 1.38 37 G C T 40.46 5.23 20.00 25.53 104.99 -94.48 92.74 8.56 87.52 2.33 10.14 22.86 15.54 50.00 4.84 4.44 0.01 1.18 1.13 38 Y C C 67.10 16.25 10.54 26.10 112.69 128.74 -90.74 130.06 86.92 5.12 7.96 63.44 14.02 8.73 4.00 3.95 0.00 2.23 3.62 39 K C T 143.35 3.31 15.53 20.24 109.85 -149.42 -79.50 133.74 81.50 2.91 15.60 22.96 17.76 41.27 5.58 9.30 0.03 1.37 1.74 40 N C T 115.21 2.75 15.93 19.33 98.67 9.34 61.40 23.82 79.49 1.34 19.17 15.22 20.19 44.49 6.15 12.33 0.02 0.59 1.01 41 A C C 53.00 11.22 10.29 21.90 95.85 115.04 -71.75 -14.89 70.44 1.72 27.85 31.29 20.75 18.81 8.32 18.84 0.01 0.69 1.28 42 K C C 144.31 3.27 15.75 19.85 96.32 66.74 -80.41 -13.10 66.10 1.97 31.93 29.24 17.29 20.33 7.70 23.32 0.01 0.87 1.23 43 K C C 106.06 7.66 15.08 23.74 111.19 77.95 -87.94 121.97 68.12 2.38 29.50 28.36 18.13 22.41 6.97 21.60 0.03 1.07 1.45 44 R C C 125.74 10.55 16.48 27.26 104.21 -127.14 -83.18 77.91 76.30 2.00 21.69 44.58 13.70 17.67 6.32 15.49 0.00 0.85 1.38 45 L C C 56.55 11.51 19.02 31.00 119.49 157.62 -95.57 140.34 85.11 0.67 14.22 53.15 29.32 1.58 14.73 0.56 0.00 0.13 0.52 46 P H H 55.74 15.16 18.45 32.93 92.86 -120.18 -61.74 -35.75 10.85 0.07 89.08 2.89 1.77 5.81 88.57 0.90 0.01 0.03 0.03 47 V H H 74.51 5.63 25.69 31.59 91.94 53.33 -64.57 -40.53 4.18 0.03 95.79 1.06 0.46 2.35 95.49 0.61 0.00 0.01 0.01 48 A H H 10.40 16.63 22.12 39.26 91.42 51.12 -63.97 -42.32 0.65 0.00 99.35 0.21 0.06 0.28 99.13 0.31 0.00 0.00 0.00 49 A H H 2.34 25.82 20.91 46.59 91.45 50.09 -64.01 -42.39 0.20 0.00 99.80 0.04 0.01 0.10 99.71 0.14 0.00 0.00 0.00 50 E H H 69.14 13.48 27.64 40.72 91.57 50.55 -63.94 -41.65 0.14 0.00 99.86 0.02 0.01 0.08 99.83 0.06 0.00 0.00 0.00 51 T H H 55.56 6.69 29.97 38.22 91.45 49.86 -63.85 -42.60 0.23 0.00 99.77 0.02 0.01 0.15 99.77 0.05 0.00 0.00 0.00 52 A H H 3.88 22.58 25.15 47.32 91.58 49.45 -64.16 -43.24 0.29 0.00 99.71 0.03 0.01 0.18 99.72 0.05 0.00 0.00 0.00 53 A H H 1.37 26.72 23.93 50.48 91.46 50.60 -63.24 -43.09 0.19 0.00 99.81 0.02 0.01 0.12 99.82 0.04 0.00 0.00 0.00 54 G H H 23.65 10.18 28.33 39.52 91.50 50.58 -63.08 -43.11 0.24 0.00 99.76 0.01 0.01 0.17 99.77 0.04 0.00 0.00 0.00 55 E H H 75.99 6.84 29.44 37.67 91.34 49.29 -64.34 -41.67 0.32 0.00 99.68 0.02 0.01 0.23 99.68 0.05 0.00 0.00 0.00 56 L H H 3.16 24.92 23.69 48.21 91.73 49.87 -64.12 -43.42 0.16 0.00 99.84 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 57 A H H 4.91 24.03 22.08 45.49 91.23 51.61 -62.56 -42.76 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 58 K H H 114.05 3.65 27.78 31.77 91.29 50.14 -63.48 -42.02 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 59 R H H 87.45 9.02 25.35 34.64 91.73 48.89 -64.85 -41.56 0.05 0.00 99.95 0.00 0.00 0.03 99.94 0.02 0.00 0.00 0.00 60 A H H 1.45 26.10 15.18 42.07 91.30 50.47 -63.47 -43.10 0.14 0.00 99.86 0.01 0.00 0.10 99.82 0.06 0.00 0.00 0.00 61 L H H 68.86 13.08 18.82 31.58 91.36 50.49 -63.05 -40.56 0.61 0.00 99.38 0.02 0.02 0.54 99.01 0.41 0.00 0.00 0.00 62 A H H 87.25 1.37 21.07 21.38 89.91 55.04 -65.24 -27.33 6.06 0.00 93.94 0.06 0.10 6.34 93.06 0.42 0.00 0.00 0.00 63 L C T 64.88 11.78 14.87 27.49 92.82 55.10 -86.20 -1.10 78.44 0.02 21.55 0.28 0.82 77.26 20.97 0.64 0.00 0.00 0.02 64 G C T 48.23 2.89 22.30 25.11 98.08 -101.50 89.63 10.77 99.86 0.01 0.13 1.23 0.75 97.95 0.04 0.02 0.00 0.00 0.00 65 Y C C 28.28 22.23 10.99 32.50 113.51 145.23 -83.30 127.67 94.95 5.00 0.05 95.14 0.43 0.06 0.01 0.02 0.00 4.00 0.33 66 S C C 65.93 5.78 23.29 29.92 101.70 174.91 -107.58 -13.75 91.43 8.54 0.02 70.29 20.15 0.30 0.00 0.03 0.00 9.04 0.18 67 T E E 49.22 10.28 24.77 35.88 130.93 42.95 -134.19 140.93 19.41 80.54 0.05 15.60 2.94 0.21 0.00 0.04 0.00 80.94 0.27 68 V E E 2.42 26.90 17.96 45.94 125.40 -167.98 -127.21 135.03 0.94 99.06 0.00 0.90 0.03 0.00 0.00 0.00 0.00 99.03 0.04 69 A E E 17.56 13.42 28.01 42.46 117.99 -153.67 -104.75 130.91 0.27 99.73 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.75 0.00 70 V E E 2.25 26.62 20.82 48.15 120.59 -164.14 -115.00 128.18 0.19 99.81 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.82 0.00 71 K E E 54.06 12.45 27.92 40.78 116.77 -161.31 -108.75 122.43 0.25 99.75 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.01 72 I E E 5.94 25.01 17.75 43.27 120.20 -167.74 -111.39 130.16 2.38 97.61 0.00 2.38 0.04 0.00 0.00 0.00 0.00 97.48 0.09 73 K E E 90.18 9.21 24.32 33.45 118.05 -159.66 -104.72 130.84 39.39 60.57 0.05 30.40 7.50 0.38 0.01 0.05 0.00 61.24 0.41 74 G C C 22.45 9.98 20.65 31.28 132.56 39.97 137.65 174.62 86.81 13.06 0.13 48.99 36.07 1.88 0.02 0.14 0.00 12.15 0.75 75 I C C 88.55 9.86 17.01 27.37 119.07 -67.28 -98.34 142.09 95.69 3.93 0.39 68.43 25.05 2.48 0.10 0.31 0.00 2.53 1.09 76 G C S 34.99 4.81 18.50 24.42 131.36 61.74 113.83 -166.97 89.73 1.04 9.23 23.54 57.56 9.07 6.27 2.30 0.01 0.32 0.92 77 T C T 105.08 2.59 18.72 21.66 94.00 -42.46 -67.59 -23.89 67.81 0.26 31.94 3.45 12.54 51.93 24.81 6.83 0.06 0.10 0.29 78 M C T 53.35 15.21 16.02 30.96 94.70 50.65 -83.07 -7.28 59.20 0.22 40.59 8.04 6.07 44.00 36.02 5.57 0.02 0.09 0.18 79 T H H 22.82 20.79 15.33 35.27 92.67 87.89 -61.14 -41.00 6.19 0.03 93.79 2.78 0.86 2.36 92.54 1.44 0.00 0.01 0.01 80 Q H H 103.90 5.18 23.43 29.28 91.73 51.91 -63.70 -40.90 1.24 0.01 98.75 0.33 0.13 0.64 98.46 0.44 0.00 0.00 0.00 81 Y H H 102.28 5.36 24.84 30.27 91.88 49.51 -64.72 -41.83 0.43 0.00 99.56 0.10 0.04 0.22 99.41 0.23 0.00 0.00 0.00 82 A H H 3.08 24.24 18.85 43.16 91.64 50.23 -63.86 -43.25 0.33 0.00 99.67 0.07 0.02 0.16 99.65 0.09 0.00 0.00 0.00 83 V H H 19.60 20.39 21.27 40.63 91.61 49.85 -63.12 -42.65 0.20 0.00 99.80 0.03 0.01 0.10 99.84 0.03 0.00 0.00 0.00 84 Q H H 103.89 2.70 26.44 28.36 91.55 50.77 -63.61 -42.37 0.13 0.00 99.87 0.02 0.01 0.07 99.88 0.03 0.00 0.00 0.00 85 M H H 46.16 11.74 21.70 33.97 91.72 49.89 -64.45 -42.22 0.21 0.00 99.79 0.02 0.01 0.14 99.77 0.06 0.00 0.00 0.00 86 L H H 3.01 26.41 14.83 41.77 91.70 49.45 -64.61 -42.08 0.51 0.00 99.49 0.04 0.02 0.38 99.35 0.20 0.00 0.00 0.00 87 S H H 59.17 10.11 18.87 29.29 91.32 52.66 -63.33 -38.79 1.93 0.00 98.06 0.11 0.08 1.65 97.48 0.68 0.00 0.00 0.00 88 S H H 86.60 1.66 19.95 21.09 90.11 56.21 -66.69 -23.30 15.79 0.02 84.19 0.35 0.47 15.56 82.65 0.94 0.02 0.01 0.01 89 S C T 37.23 13.56 14.34 28.47 93.22 56.09 -87.03 -0.86 84.93 0.05 15.02 0.51 2.24 81.65 14.49 1.03 0.00 0.01 0.05 90 G C T 49.96 2.68 22.16 24.68 97.45 -102.09 90.19 9.41 99.82 0.03 0.15 2.35 2.83 94.72 0.04 0.04 0.00 0.02 0.01 91 I C C 12.89 23.89 10.40 34.01 116.78 139.08 -89.97 133.80 95.42 4.56 0.01 93.88 1.50 0.08 0.00 0.01 0.00 4.38 0.15 92 K E E 121.25 3.64 25.45 29.33 112.25 -136.88 -92.66 121.62 36.09 63.87 0.04 35.20 0.71 0.06 0.01 0.02 0.00 63.29 0.70 93 I E E 23.97 23.69 12.02 35.22 113.23 -152.41 -91.43 121.57 3.77 96.22 0.01 3.92 0.07 0.01 0.00 0.00 0.00 95.78 0.22 94 T E E 69.40 5.67 22.35 28.61 100.92 175.19 -95.79 -31.34 4.52 95.47 0.01 3.09 1.08 0.04 0.00 0.01 0.00 95.76 0.02 95 Q E E 73.86 7.54 24.03 32.21 139.58 1.31 -153.75 149.34 0.75 99.24 0.00 0.59 0.06 0.00 0.00 0.00 0.00 99.34 0.01 96 L E E 31.78 23.04 14.85 36.99 123.50 -165.44 -127.74 126.70 0.32 99.68 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.68 0.01 97 V E E 58.49 8.22 24.66 33.32 124.95 -175.04 -126.34 135.71 0.67 99.33 0.00 0.62 0.02 0.00 0.00 0.00 0.00 99.33 0.02 98 D E E 49.55 17.55 15.84 32.61 111.83 -139.00 -90.30 122.30 8.57 91.42 0.01 7.98 0.35 0.02 0.00 0.01 0.00 91.46 0.19 99 V C C 66.38 9.64 18.57 29.11 101.92 176.56 -103.11 2.01 84.77 15.18 0.05 64.68 18.81 0.50 0.01 0.05 0.00 15.36 0.60 100 T C S 45.47 11.49 13.84 26.60 118.16 104.90 -92.23 138.55 92.63 7.30 0.07 45.64 47.06 0.84 0.01 0.07 0.00 5.42 0.96 101 P C C 93.92 4.62 17.84 23.47 103.05 -119.42 -71.77 91.16 96.34 3.57 0.09 61.35 34.35 1.12 0.02 0.09 0.00 2.33 0.75 102 V C C 59.23 11.41 11.73 24.08 119.75 85.91 -103.91 133.65 92.28 7.41 0.31 63.59 27.94 1.03 0.11 0.22 0.00 3.56 3.54 103 P C C 80.06 5.73 15.53 22.57 112.50 -108.82 -67.50 145.89 90.71 5.30 3.98 64.26 13.67 12.10 0.63 4.03 0.00 3.39 1.92 104 Y C C 131.07 9.14 11.86 21.92 117.14 -141.20 -105.63 132.68 83.84 8.11 8.05 36.61 20.47 27.12 1.21 6.86 0.01 3.84 3.88 105 G C C 53.61 3.77 15.82 20.67 102.55 12.97 78.42 6.61 87.79 3.88 8.33 31.52 24.64 31.49 1.04 7.63 0.00 1.98 1.71 106 G C C 36.54 8.03 14.71 23.66 117.65 -61.49 103.25 -175.18 89.50 5.07 5.42 42.48 28.90 17.93 0.82 4.93 0.00 2.62 2.31 107 C C C 59.80 12.06 12.36 24.73 116.18 -59.32 -94.72 133.71 88.64 8.73 2.63 61.13 20.31 6.62 0.65 2.16 0.00 4.10 5.03 108 R C C 129.43 6.43 14.73 22.76 119.89 -157.70 -103.37 136.79 94.24 5.39 0.37 74.36 19.44 0.65 0.15 0.21 0.00 2.63 2.56 109 P C C 77.85 6.83 12.89 21.27 115.67 -105.03 -66.40 150.65 97.11 1.65 1.24 91.10 4.41 1.78 0.35 0.77 0.00 0.94 0.65 110 S C C 72.82 5.93 10.87 18.52 112.54 -103.30 -71.67 147.09 93.83 2.13 4.03 77.70 9.25 6.75 1.09 2.97 0.00 1.10 1.15 111 R C C 165.77 2.86 10.23 15.12 113.73 -123.08 -87.80 135.55 91.22 3.85 4.94 67.29 16.86 6.83 1.31 3.79 0.00 2.19 1.73 112 K C C 148.79 3.05 8.54 13.82 115.60 -138.22 -92.02 135.78 89.71 5.97 4.32 72.71 12.14 4.76 1.20 3.18 0.00 4.23 1.78 113 R C C 165.80 2.55 8.02 12.69 116.06 -142.71 -93.42 133.98 86.34 10.58 3.07 75.47 6.99 3.60 1.03 1.96 0.00 7.94 3.01 114 R C C 178.79 1.87 7.97 11.72 113.59 -138.59 -92.51 127.21 85.39 13.57 1.04 82.02 2.11 1.60 0.46 0.45 0.00 7.79 5.59 115 V C C 104.59 4.44 9.37 15.40 110.97 -162.26 -94.01 115.64 99.84 0.15 0.01 99.74 0.11 0.04 0.00 0.00 0.00 0.08 0.01