# 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 Q C C 104.24 5.89 20.54 27.06 115.74 -158.16 -97.52 124.51 98.79 1.21 0.00 98.79 0.09 0.01 0.00 0.00 0.00 1.10 0.01 1 V E E 34.04 20.29 11.63 30.98 122.11 -161.83 -111.76 133.66 33.95 65.99 0.06 33.98 0.38 0.08 0.01 0.04 0.00 64.96 0.55 2 Q E E 91.91 5.38 22.47 28.52 122.73 -165.77 -118.00 136.18 8.14 91.76 0.10 7.32 0.66 0.18 0.02 0.07 0.00 91.50 0.25 3 L E E 45.89 19.75 13.95 33.07 117.85 -146.62 -100.82 130.02 6.19 93.63 0.18 5.59 0.43 0.16 0.06 0.10 0.00 93.43 0.23 4 V E E 59.57 8.92 20.63 30.38 122.58 -168.89 -118.65 134.88 12.30 87.34 0.36 10.71 1.21 0.30 0.12 0.19 0.00 87.03 0.44 5 Q E E 81.73 14.02 15.33 29.00 117.97 -140.83 -102.02 130.50 32.97 66.11 0.91 27.23 4.39 1.11 0.21 0.66 0.00 65.75 0.64 6 S C E 56.11 9.73 16.63 26.98 109.99 -167.70 -95.91 82.84 62.31 35.69 2.00 34.90 18.77 8.47 0.22 1.92 0.00 34.98 0.74 7 G C S 40.08 6.65 19.10 26.15 111.17 -72.32 95.87 11.31 72.23 26.35 1.42 29.49 31.98 10.05 0.14 1.40 0.00 26.26 0.68 8 A C C 41.13 16.39 14.23 29.85 120.80 46.01 -97.63 143.67 59.13 39.88 0.99 46.93 9.21 1.72 0.11 0.91 0.00 40.48 0.64 9 E E E 76.58 11.11 20.34 31.65 127.05 -165.49 -124.89 140.34 19.11 80.71 0.18 15.95 2.64 0.52 0.04 0.16 0.00 79.85 0.85 10 V E E 63.91 14.72 19.09 33.21 120.92 -152.32 -112.53 131.94 9.87 90.10 0.03 9.08 0.61 0.05 0.01 0.02 0.00 89.61 0.63 11 K E E 51.52 14.87 17.28 32.33 131.85 -177.66 -129.35 151.14 16.79 83.19 0.02 16.23 0.57 0.03 0.01 0.01 0.00 79.76 3.40 12 K C C 108.83 5.14 22.40 27.71 119.20 -114.54 -79.09 150.78 95.00 4.97 0.02 93.79 1.36 0.08 0.00 0.01 0.00 4.29 0.45 13 P C T 61.79 13.62 13.49 27.36 110.06 -84.16 -59.15 138.17 99.46 0.35 0.19 0.28 2.32 97.01 0.01 0.13 0.00 0.21 0.05 14 G C T 51.07 3.18 19.09 22.94 95.50 22.38 87.70 -5.84 99.64 0.22 0.13 0.41 2.65 96.66 0.00 0.10 0.00 0.16 0.01 15 S C C 42.01 8.67 16.26 26.29 124.12 119.53 -85.59 160.77 92.23 7.70 0.07 77.13 15.04 0.26 0.01 0.07 0.00 6.73 0.76 16 S C C 59.34 9.18 18.97 29.14 127.96 -129.14 -117.25 148.16 53.08 46.90 0.01 52.32 0.89 0.05 0.00 0.01 0.00 45.99 0.75 17 V E E 13.48 21.88 15.20 37.09 127.19 -164.40 -127.33 139.82 2.73 97.27 0.00 2.66 0.05 0.00 0.00 0.00 0.00 97.22 0.07 18 K E E 110.78 6.54 24.75 32.13 116.22 -142.47 -98.65 128.57 0.65 99.35 0.00 0.62 0.01 0.00 0.00 0.00 0.00 99.35 0.01 19 V E E 4.39 25.80 15.54 42.10 123.72 -169.58 -119.47 133.82 1.23 98.77 0.00 1.19 0.03 0.00 0.00 0.00 0.00 98.76 0.02 20 S E E 38.00 9.09 26.92 36.67 126.42 -164.28 -117.63 144.84 5.34 94.65 0.01 4.81 0.21 0.01 0.00 0.00 0.00 94.92 0.05 21 C E E 4.52 25.86 15.97 42.35 131.96 -174.10 -135.35 147.51 8.26 91.73 0.02 7.64 0.32 0.02 0.00 0.01 0.00 91.89 0.12 22 K E E 95.83 6.95 27.26 35.16 124.51 -161.45 -122.31 135.16 4.70 95.25 0.04 4.39 0.31 0.05 0.02 0.02 0.00 94.33 0.88 23 A E E 8.95 24.33 13.99 38.07 120.82 -158.77 -106.58 135.66 26.66 73.19 0.16 25.36 1.14 0.20 0.05 0.10 0.00 71.32 1.82 24 S C C 59.49 6.54 22.04 29.03 121.86 -164.88 -112.24 141.46 62.47 37.10 0.43 37.34 18.19 8.01 0.05 0.47 0.00 34.77 1.17 25 G C S 47.91 3.81 20.00 24.10 111.12 9.44 93.20 -34.07 82.61 17.07 0.32 11.30 58.96 11.64 0.02 0.36 0.00 16.94 0.79 26 G C S 30.62 8.77 18.17 27.58 133.06 78.31 130.31 -175.35 80.21 19.48 0.31 37.44 39.71 3.68 0.04 0.37 0.00 17.08 1.68 27 T C C 74.50 7.98 21.40 30.10 123.56 -88.81 -113.65 141.18 75.60 24.06 0.34 64.14 8.68 1.91 0.07 0.38 0.00 19.35 5.46 28 F C C 23.98 22.61 12.57 34.52 116.28 -154.34 -106.25 123.62 71.51 27.63 0.86 63.69 5.17 1.85 0.23 0.73 0.00 19.55 8.77 29 S C S 71.07 5.21 21.79 27.62 101.57 -170.12 -86.79 -10.78 84.46 13.95 1.59 32.08 33.45 19.60 0.18 1.64 0.00 11.26 1.79 30 S C S 61.87 7.58 21.41 29.13 109.09 24.60 -104.62 36.47 85.73 12.69 1.58 12.89 50.44 22.37 0.13 1.45 0.00 11.80 0.92 31 S C C 21.88 18.72 17.42 35.33 126.70 109.97 -108.70 153.56 70.83 28.32 0.85 43.76 24.07 2.69 0.10 0.80 0.00 27.55 1.02 32 A E E 23.34 13.55 25.84 39.72 125.88 -127.77 -116.00 145.89 22.77 77.11 0.12 20.50 1.62 0.19 0.02 0.09 0.00 77.07 0.50 33 I E E 2.51 27.07 20.38 48.30 122.64 -157.30 -117.38 132.50 2.44 97.55 0.00 2.34 0.08 0.00 0.00 0.00 0.00 97.52 0.06 34 S E E 15.43 16.27 28.27 44.53 130.19 -173.42 -126.68 147.27 0.57 99.43 0.00 0.51 0.02 0.00 0.00 0.00 0.00 99.46 0.00 35 W E E 6.97 25.22 22.45 47.66 123.87 -156.27 -115.06 136.96 0.37 99.63 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.66 0.00 36 V E E 14.85 17.78 25.16 42.81 129.04 -170.70 -128.28 142.76 0.24 99.76 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 37 R E E 43.13 18.20 21.92 39.34 122.54 -156.04 -112.56 135.63 0.37 99.62 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.00 38 Q E E 56.64 13.07 19.40 32.85 119.08 -151.78 -106.93 130.46 4.03 95.96 0.01 3.60 0.20 0.01 0.00 0.00 0.00 95.98 0.20 39 A C C 25.89 11.80 14.47 27.80 118.19 -133.61 -78.56 151.00 90.68 9.19 0.13 88.95 1.17 0.29 0.02 0.09 0.00 9.09 0.40 40 P C T 93.55 5.53 13.21 20.49 109.43 -84.71 -58.80 135.31 96.29 0.24 3.47 0.56 3.71 91.70 0.07 3.76 0.00 0.14 0.07 41 G C T 69.09 0.33 13.61 11.43 95.68 15.15 82.26 -2.92 96.27 0.13 3.60 0.59 3.51 91.82 0.08 3.87 0.00 0.08 0.04 42 Q C S 107.69 4.70 12.06 18.38 109.59 82.32 -105.19 -0.70 89.79 4.23 5.99 20.77 50.11 18.54 0.42 6.41 0.01 2.65 1.08 43 G C C 32.78 4.49 17.20 22.80 127.71 -117.01 94.00 -169.53 86.83 12.92 0.26 69.29 15.51 1.66 0.04 0.28 0.00 12.11 1.11 44 L E E 54.46 17.39 13.07 29.94 116.85 -32.29 -79.33 137.40 34.93 65.02 0.04 32.32 1.32 0.08 0.00 0.03 0.00 65.94 0.30 45 E E E 82.93 8.65 21.92 31.17 126.32 -168.18 -123.81 140.62 1.97 98.02 0.01 1.60 0.18 0.02 0.00 0.00 0.00 98.15 0.05 46 W E E 94.21 16.24 18.80 34.57 111.29 -113.10 -73.10 128.25 0.44 99.55 0.00 0.36 0.03 0.00 0.00 0.00 0.00 99.60 0.01 47 M E E 24.11 18.40 21.58 40.00 101.19 176.98 -101.78 -22.94 2.59 97.37 0.04 1.71 0.58 0.13 0.00 0.02 0.00 97.52 0.03 48 G E E 4.42 17.60 23.45 41.31 145.35 -48.93 164.78 174.57 3.05 96.92 0.03 1.98 0.65 0.14 0.00 0.02 0.00 97.16 0.04 49 G E E 9.84 18.44 24.53 42.04 144.89 -145.55 -163.19 170.43 6.24 93.71 0.05 5.33 0.62 0.07 0.01 0.02 0.00 93.84 0.10 50 I E E 21.85 20.81 21.91 42.14 121.61 -105.11 -115.62 132.37 9.09 90.78 0.12 7.78 1.30 0.15 0.06 0.06 0.00 89.60 1.06 51 I E E 26.92 16.01 21.62 38.04 118.53 -163.35 -114.67 125.43 36.69 62.94 0.37 30.94 4.61 0.63 0.13 0.23 0.00 62.44 1.01 52 P C E 42.91 12.66 19.81 32.91 111.47 -122.80 -72.22 137.39 54.46 42.25 3.28 35.89 12.28 6.55 0.79 2.32 0.00 41.06 1.10 53 I C C 50.76 15.03 15.24 30.21 113.46 -159.46 -100.39 117.83 58.43 32.48 9.09 24.27 18.18 19.21 2.82 6.03 0.19 24.14 5.16 54 L C T 95.14 7.78 15.93 24.29 102.35 -2.83 -38.80 57.27 77.86 13.47 8.67 18.76 19.61 40.68 2.11 6.13 0.05 10.25 2.41 55 D C T 110.18 3.25 15.88 20.20 98.76 -26.45 51.65 30.43 83.78 10.37 5.84 24.82 20.63 39.56 1.49 3.87 0.01 8.09 1.54 56 I C C 68.94 11.45 12.17 24.41 116.84 135.17 -103.08 128.99 61.18 30.30 8.52 42.33 12.57 6.18 5.92 3.34 0.08 22.02 7.56 57 T C C 76.83 7.64 16.00 24.65 111.28 -157.39 -92.52 119.79 57.93 27.28 14.79 35.41 13.32 9.55 10.93 4.48 0.12 22.85 3.34 58 N C C 72.59 9.56 18.09 28.03 104.75 21.82 -98.55 60.90 59.71 20.78 19.52 40.76 9.81 8.61 14.61 5.55 0.07 17.66 2.93 59 Y H H 43.55 16.57 17.21 33.70 96.89 147.52 -72.17 -31.51 34.80 10.71 54.49 23.40 5.49 7.37 40.90 11.83 0.10 9.07 1.86 60 A H H 12.69 21.39 14.22 34.89 92.77 60.89 -64.69 -35.07 13.78 1.70 84.53 5.97 2.23 5.44 57.51 27.07 0.04 1.54 0.20 61 Q H H 115.07 3.84 20.30 24.90 91.81 59.53 -64.85 -34.22 7.36 0.51 92.13 1.68 0.98 4.14 59.51 33.16 0.02 0.45 0.05 62 K H H 112.17 6.37 19.74 26.79 91.88 56.96 -70.05 -25.88 11.13 0.38 88.49 1.25 1.08 7.63 58.42 31.20 0.05 0.29 0.07 63 F H H 15.01 22.11 12.37 34.60 97.79 43.43 -101.80 2.69 37.16 1.91 60.93 4.06 4.26 26.46 39.46 23.30 0.52 1.11 0.82 64 Q C T 106.07 8.64 15.18 25.77 109.87 124.34 -60.38 127.18 87.17 3.51 9.32 3.78 3.76 80.66 4.64 3.43 0.02 2.02 1.71 65 G C T 60.27 1.63 18.96 20.11 94.33 14.10 81.54 -2.43 92.28 0.72 7.00 1.33 4.02 88.33 1.98 3.62 0.00 0.54 0.18 66 R C T 87.10 12.15 17.49 29.88 100.39 75.58 -96.32 -23.18 92.58 2.57 4.85 6.66 21.17 65.02 1.03 3.32 0.00 2.47 0.32 67 V E E 6.18 24.55 12.68 37.62 130.48 37.70 -131.39 142.46 19.40 80.23 0.37 12.98 6.14 0.88 0.16 0.19 0.00 78.27 1.39 68 T E E 63.00 6.53 26.64 33.79 123.23 -159.36 -119.77 136.14 3.16 96.80 0.04 2.78 0.20 0.03 0.01 0.01 0.00 96.85 0.11 69 I E E 14.66 24.90 14.89 39.91 121.71 -163.29 -116.89 129.27 1.98 98.00 0.02 1.82 0.07 0.01 0.01 0.01 0.00 98.02 0.07 70 T E E 63.63 6.07 26.89 33.50 125.27 -174.49 -124.91 138.39 5.54 94.41 0.05 4.88 0.39 0.06 0.01 0.02 0.00 94.42 0.22 71 A E E 22.09 22.54 12.53 34.14 123.94 -160.29 -112.86 138.62 34.03 65.69 0.28 29.51 4.12 0.52 0.08 0.19 0.00 64.61 0.98 72 D C C 62.69 6.99 19.77 27.50 115.13 -152.14 -100.44 126.86 79.42 20.17 0.41 73.58 4.18 0.89 0.12 0.30 0.00 18.78 2.14 73 K C T 134.09 7.42 14.52 23.52 92.27 -136.36 -64.97 -23.17 95.04 0.86 4.10 2.92 18.03 73.90 0.34 3.98 0.00 0.57 0.27 74 S C T 86.02 1.67 18.61 19.59 95.27 52.71 -84.99 -16.72 94.76 0.57 4.67 2.59 17.74 74.12 0.40 4.58 0.00 0.35 0.23 75 T C S 41.85 13.17 15.44 28.93 122.57 44.12 -119.45 140.44 90.98 4.10 4.92 22.15 44.78 24.13 0.55 4.51 0.00 2.64 1.23 76 S C S 40.34 14.99 18.41 33.22 98.08 -153.07 -87.62 2.42 95.06 4.30 0.64 17.90 59.81 17.18 0.06 0.64 0.00 3.94 0.47 77 T C E 38.00 12.16 23.41 36.42 127.13 87.43 -114.10 144.64 50.41 49.25 0.34 34.42 15.17 2.18 0.07 0.34 0.00 45.47 2.36 78 A E E 2.82 25.11 18.61 44.28 127.20 -168.18 -125.47 142.21 17.23 82.71 0.05 15.86 1.08 0.11 0.01 0.04 0.00 82.35 0.55 79 F E E 49.74 13.10 27.17 40.70 123.46 -158.08 -115.95 135.53 3.51 96.48 0.01 3.00 0.22 0.02 0.00 0.00 0.00 96.70 0.06 80 M E E 3.76 25.90 19.69 46.25 122.76 -166.88 -117.87 133.24 0.44 99.56 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.00 81 E E E 67.94 10.59 27.33 38.39 118.24 -158.59 -109.18 126.31 0.33 99.67 0.00 0.33 0.00 0.00 0.00 0.00 0.00 99.65 0.02 82 L E E 6.65 24.91 16.23 41.73 117.56 -164.92 -110.17 127.14 14.14 85.85 0.01 14.32 0.13 0.01 0.00 0.00 0.00 84.70 0.84 83 S C S 49.08 7.45 23.02 30.64 121.44 -163.38 -100.57 157.27 94.96 4.90 0.14 40.07 45.41 8.74 0.01 0.21 0.00 5.29 0.26 84 S C S 64.46 4.92 24.36 29.41 100.57 10.59 58.22 59.31 98.87 1.06 0.07 11.40 79.57 7.93 0.00 0.09 0.00 0.87 0.14 85 L C C 14.19 24.71 10.81 35.27 113.22 -147.39 -74.19 131.26 99.12 0.86 0.01 98.06 1.20 0.03 0.00 0.01 0.00 0.29 0.42 86 R C C 100.91 4.71 24.21 28.92 133.06 177.68 -125.26 163.00 99.12 0.82 0.06 97.87 1.18 0.02 0.01 0.02 0.00 0.13 0.77 87 S H G 59.93 12.21 16.02 28.34 91.09 -98.11 -60.46 -30.75 5.23 0.04 94.73 0.38 0.42 3.22 0.37 95.58 0.00 0.03 0.00 88 E H G 122.61 4.10 21.78 26.61 90.53 62.73 -73.34 -15.10 4.32 0.07 95.61 0.28 0.34 2.77 0.37 96.17 0.00 0.06 0.00 89 D H G 11.23 21.98 16.10 38.33 94.85 66.61 -83.28 0.63 5.81 0.10 94.09 1.52 0.74 1.93 0.59 95.14 0.00 0.09 0.00 90 T C C 36.25 16.33 21.92 38.08 116.18 112.49 -81.39 135.29 89.69 8.77 1.54 85.53 4.27 0.40 0.36 1.00 0.00 7.77 0.68 91 A E E 9.80 19.69 23.50 42.45 142.98 154.62 -156.52 168.68 8.41 91.06 0.53 7.94 0.65 0.15 0.34 0.23 0.00 89.17 1.52 92 V E E 23.85 17.71 26.11 43.42 119.39 -110.37 -104.03 131.99 3.12 96.43 0.45 2.93 0.20 0.07 0.25 0.16 0.00 96.24 0.15 93 Y E E 6.38 25.11 22.90 47.86 122.56 -163.94 -111.11 135.87 3.06 96.32 0.62 2.65 0.30 0.12 0.28 0.23 0.00 96.30 0.12 94 Y E E 22.62 19.91 27.65 46.55 129.66 -170.15 -125.82 144.34 6.03 92.78 1.19 4.93 0.70 0.33 0.47 0.43 0.00 92.88 0.25 95 C E E 3.94 24.68 24.03 48.39 124.03 -159.15 -116.83 136.49 16.42 80.84 2.74 13.11 2.35 1.08 1.23 1.04 0.00 80.55 0.64 96 A E E 9.59 18.81 24.49 42.98 127.40 -166.16 -120.42 143.82 22.16 74.06 3.78 18.26 2.98 1.49 1.97 1.52 0.00 72.49 1.28 97 L E E 32.78 17.17 20.14 36.97 116.31 -149.12 -100.80 132.82 37.41 57.59 5.00 27.63 8.17 3.81 2.23 2.62 0.03 53.39 2.12 98 R C C 97.26 10.63 18.56 29.33 113.88 -133.98 -98.54 129.87 57.65 32.73 9.62 32.04 16.39 11.62 2.58 6.34 0.06 28.90 2.07 99 N C T 90.50 7.53 16.22 24.39 107.88 -109.59 -89.23 81.07 76.85 11.25 11.90 27.03 22.43 29.09 2.30 8.62 0.02 8.94 1.56 100 Q C T 100.47 7.19 14.82 22.89 107.20 61.02 -91.30 58.32 81.58 5.97 12.45 27.92 21.79 33.28 2.43 9.13 0.01 4.00 1.43 101 W C C 132.03 9.26 13.37 23.29 107.69 81.20 -91.34 66.95 81.19 7.89 10.91 31.00 24.31 27.39 2.66 7.50 0.02 5.11 2.00 102 D C C 84.86 7.13 16.19 24.23 111.53 129.47 -96.61 110.45 80.32 11.66 8.02 35.84 24.52 21.33 1.93 5.66 0.02 8.84 1.86 103 L C C 68.62 12.24 15.92 28.38 112.46 -139.03 -95.70 124.03 68.65 21.31 10.04 37.60 18.22 14.48 2.77 6.71 0.03 18.05 2.12 104 L C C 49.24 15.77 16.54 32.11 117.86 -160.51 -102.89 132.38 52.37 37.45 10.18 35.82 10.64 7.26 3.33 6.10 0.02 34.94 1.89 105 V E E 46.24 14.05 20.14 34.33 119.94 -162.48 -112.35 132.18 36.44 54.68 8.88 26.64 7.10 4.59 3.39 4.93 0.01 51.57 1.78 106 Y E E 75.74 15.85 20.15 35.36 119.30 -154.06 -107.49 128.65 29.13 65.00 5.86 22.43 4.62 3.37 2.61 3.19 0.01 61.20 2.58 107 W E E 56.63 18.14 19.08 36.49 116.47 -169.46 -109.31 128.45 40.93 55.96 3.10 29.30 7.48 5.52 1.41 1.82 0.02 50.75 3.70 108 G C C 20.71 14.49 20.62 34.32 126.96 -113.47 101.59 -168.92 72.15 25.91 1.94 33.78 22.42 16.95 0.38 1.53 0.00 23.31 1.62 109 Q C S 96.42 9.69 22.23 31.69 103.22 -53.24 -81.68 57.04 78.55 19.16 2.30 22.34 32.35 24.72 0.34 1.89 0.01 16.65 1.71 110 G C S 18.40 16.30 19.88 35.08 122.59 -85.93 100.50 -174.73 72.79 26.28 0.93 24.37 33.23 15.32 0.09 0.93 0.00 24.99 1.08 111 T E E 22.14 19.71 20.13 39.12 119.92 -75.11 -104.08 135.31 38.68 61.05 0.26 29.61 7.63 1.41 0.04 0.24 0.00 60.17 0.90 112 L E E 59.91 12.63 25.24 37.63 116.98 -141.89 -97.93 129.37 10.25 89.67 0.07 8.58 1.37 0.24 0.02 0.04 0.00 89.42 0.33 113 V E E 7.19 24.77 17.54 42.69 120.08 -165.73 -111.77 128.93 3.46 96.53 0.02 3.21 0.21 0.03 0.00 0.01 0.00 96.43 0.11 114 T E E 50.60 8.99 25.78 35.20 121.79 -161.76 -112.78 134.63 2.67 97.31 0.02 2.52 0.13 0.02 0.00 0.01 0.00 97.11 0.21 115 V E E 21.67 21.52 14.10 35.10 119.42 -157.78 -107.36 131.33 12.38 87.55 0.07 11.27 0.81 0.12 0.03 0.04 0.00 86.85 0.88 116 S C C 51.24 7.27 17.99 26.07 127.10 -167.50 -114.45 157.90 54.18 45.72 0.10 51.64 1.19 0.26 0.02 0.07 0.00 45.73 1.09 117 S C C 75.15 5.95 16.12 23.22 107.63 -99.24 -76.63 121.56 99.67 0.32 0.01 99.55 0.17 0.04 0.00 0.00 0.00 0.23 0.01