# 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 E C C 116.41 5.37 20.42 26.52 115.73 -140.69 -93.95 131.49 99.57 0.43 0.00 99.54 0.09 0.02 0.00 0.00 0.00 0.34 0.01 1 I C C 41.19 19.04 12.38 30.77 118.34 -153.94 -104.52 129.27 51.26 48.64 0.10 50.59 0.46 0.13 0.02 0.05 0.00 48.07 0.68 2 V E E 66.72 7.33 20.54 28.82 119.49 -165.06 -114.01 127.76 14.88 85.00 0.12 13.79 0.92 0.18 0.04 0.07 0.00 84.33 0.67 3 L E E 40.42 18.99 13.79 32.32 117.20 -153.65 -100.06 128.61 10.70 89.19 0.11 9.99 0.64 0.14 0.04 0.06 0.00 88.60 0.53 4 T E E 68.20 7.50 20.41 28.62 118.87 -171.69 -115.98 132.83 19.48 80.30 0.22 16.96 2.01 0.44 0.06 0.15 0.00 79.48 0.90 5 Q E E 69.86 13.33 15.25 28.69 127.51 -165.07 -124.75 140.70 45.92 53.82 0.27 34.40 10.80 1.17 0.05 0.24 0.00 52.28 1.06 6 S C C 60.14 7.65 17.94 26.48 119.57 -126.65 -96.68 145.54 78.96 20.87 0.18 51.58 25.17 1.65 0.02 0.19 0.00 20.55 0.85 7 P C S 72.14 8.31 16.85 25.84 111.38 -41.67 -69.02 147.36 86.73 12.90 0.36 27.18 44.70 13.59 0.02 0.46 0.00 13.55 0.49 8 G E E 32.79 10.38 17.50 27.99 109.68 -140.69 -77.46 -69.93 48.90 50.72 0.39 23.65 18.71 7.09 0.03 0.46 0.00 49.45 0.60 9 T E E 72.40 8.35 19.44 28.59 129.18 -0.56 -130.42 140.76 19.02 80.91 0.08 16.86 1.64 0.19 0.01 0.06 0.00 80.79 0.44 10 L E E 26.81 19.89 15.04 34.55 126.04 -170.01 -126.06 138.38 3.60 96.39 0.01 3.29 0.20 0.02 0.00 0.00 0.00 96.34 0.16 11 S E E 64.23 6.81 23.39 31.21 122.64 -157.97 -116.07 133.09 2.61 97.38 0.00 2.35 0.15 0.01 0.00 0.00 0.00 97.39 0.10 12 L E E 17.88 20.81 13.83 34.36 133.22 174.31 -135.63 151.54 14.86 85.12 0.01 14.12 0.60 0.02 0.00 0.01 0.00 84.04 1.21 13 S C C 53.42 4.68 23.45 27.80 122.12 -125.32 -87.94 157.17 94.00 5.97 0.02 93.01 1.23 0.09 0.00 0.01 0.00 5.18 0.47 14 P C T 61.07 13.62 14.21 28.01 109.46 -81.28 -59.54 135.23 99.18 0.37 0.45 0.26 2.48 96.69 0.03 0.28 0.00 0.20 0.07 15 G C T 47.40 4.05 19.25 24.09 95.82 23.21 88.61 -6.61 99.36 0.24 0.40 0.43 2.89 96.19 0.03 0.28 0.00 0.16 0.02 16 E C C 84.70 7.85 17.77 26.81 122.71 117.48 -85.83 150.19 91.98 7.72 0.29 71.90 19.59 0.58 0.05 0.26 0.00 6.81 0.81 17 R E E 125.82 9.29 18.54 28.99 123.34 -134.49 -107.40 141.31 49.56 50.39 0.05 48.73 0.78 0.07 0.01 0.03 0.00 49.32 1.07 18 A E E 10.17 21.01 15.47 36.45 130.64 -171.24 -131.07 148.28 2.22 97.77 0.01 2.07 0.08 0.01 0.00 0.00 0.00 97.73 0.11 19 T E E 65.34 8.59 24.56 33.75 121.34 -147.22 -114.38 132.54 1.12 98.87 0.00 1.00 0.05 0.00 0.00 0.00 0.00 98.92 0.03 20 L E E 6.09 25.22 16.87 42.57 122.61 -168.28 -116.80 133.24 5.84 94.15 0.01 5.16 0.38 0.02 0.00 0.00 0.00 94.35 0.07 21 S E E 36.83 10.05 26.56 37.08 126.16 -166.08 -118.06 142.72 13.77 86.22 0.01 12.15 0.85 0.04 0.00 0.01 0.00 86.82 0.13 22 C E E 4.89 25.16 16.75 42.23 133.00 -176.69 -136.47 149.44 11.01 88.96 0.02 10.17 0.52 0.04 0.00 0.01 0.00 88.89 0.37 23 R E E 111.45 6.70 26.60 34.09 122.30 -157.76 -117.03 134.00 5.74 94.23 0.03 5.32 0.32 0.03 0.02 0.02 0.00 91.80 2.50 24 A E E 8.74 23.98 11.91 35.56 120.05 -147.22 -93.22 141.39 40.46 59.27 0.27 38.44 1.60 0.27 0.07 0.19 0.00 57.46 1.97 25 S C S 72.73 3.79 21.47 25.45 98.40 -154.38 -86.32 -20.35 87.28 12.13 0.60 31.67 50.77 4.46 0.05 0.60 0.00 11.83 0.62 26 Q C S 93.47 4.48 20.23 25.17 133.23 22.98 -136.64 162.02 90.37 8.74 0.89 11.68 69.98 8.67 0.07 0.79 0.00 8.07 0.73 27 S C C 71.32 6.04 19.55 26.62 115.26 -88.81 -73.90 139.78 89.83 9.05 1.13 74.12 10.35 4.73 0.13 1.35 0.00 8.26 1.05 28 V C C 17.71 22.32 11.36 33.14 123.86 -160.36 -118.03 136.65 72.13 26.92 0.95 62.77 5.99 2.00 0.32 0.74 0.00 17.34 10.84 29 S C C 80.91 2.99 23.16 26.26 101.48 -160.22 -96.97 13.77 85.00 14.33 0.67 58.33 21.37 5.31 0.12 0.72 0.00 11.69 2.46 30 S C C 26.78 15.06 16.26 31.55 131.95 89.66 -123.05 159.70 83.96 14.88 1.16 40.59 36.61 7.25 0.15 1.19 0.00 12.19 2.02 31 S C S 55.03 10.29 21.64 32.20 96.36 -136.72 -87.12 -14.21 88.21 11.46 0.33 11.68 70.50 4.74 0.02 0.31 0.00 12.36 0.40 32 Y E E 55.89 13.80 23.69 37.79 129.34 48.05 -128.86 141.62 22.24 77.43 0.33 15.19 5.42 1.78 0.03 0.35 0.00 76.89 0.35 33 L E E 3.50 25.99 20.12 46.46 128.22 -171.35 -128.81 141.73 2.54 97.45 0.01 2.29 0.15 0.02 0.00 0.00 0.00 97.45 0.09 34 A E E 10.80 17.89 27.74 45.45 128.67 -164.14 -123.67 144.60 0.47 99.53 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.55 0.01 35 W E E 8.41 24.46 22.92 47.14 124.70 -156.95 -114.16 139.69 0.50 99.50 0.00 0.44 0.02 0.00 0.00 0.00 0.00 99.53 0.00 36 Y E E 23.81 17.38 23.51 40.91 133.48 -174.60 -132.62 149.94 0.75 99.25 0.00 0.65 0.03 0.00 0.00 0.00 0.00 99.29 0.03 37 Q E E 45.13 14.13 21.58 35.93 121.88 -143.79 -109.33 135.80 3.84 96.16 0.01 3.17 0.40 0.02 0.00 0.00 0.00 96.30 0.11 38 Q E E 54.00 14.07 15.32 29.88 119.16 -154.95 -103.94 135.77 33.80 66.18 0.02 30.56 2.31 0.10 0.00 0.02 0.00 65.81 1.20 39 K C C 101.76 5.90 15.54 22.77 119.33 -138.61 -91.14 145.91 98.28 1.68 0.03 96.20 2.12 0.19 0.01 0.02 0.00 1.18 0.30 40 P C T 104.79 3.74 11.39 17.15 109.51 -85.99 -58.55 133.95 99.63 0.10 0.28 0.40 3.48 95.78 0.01 0.26 0.00 0.06 0.02 41 G C T 68.94 0.30 13.03 10.73 95.31 18.42 83.59 -3.08 99.66 0.07 0.26 0.51 3.47 95.68 0.01 0.28 0.00 0.05 0.01 42 Q C S 89.63 5.52 10.19 17.82 129.20 97.77 -114.37 159.42 94.13 5.45 0.41 37.29 55.58 1.29 0.08 0.33 0.00 1.89 3.54 43 A C C 74.73 2.45 17.70 20.16 116.83 -98.69 -71.40 150.61 97.35 2.62 0.03 85.44 11.91 0.20 0.01 0.03 0.00 2.06 0.35 44 P C C 43.55 18.24 11.56 29.07 114.93 -100.48 -65.92 144.09 91.12 8.85 0.03 88.95 2.09 0.14 0.00 0.03 0.00 8.54 0.25 45 R E E 102.39 8.45 21.55 30.71 124.80 -161.43 -122.07 138.81 8.16 91.78 0.06 7.22 0.77 0.08 0.02 0.03 0.00 91.20 0.67 46 L E E 58.52 16.43 18.54 34.41 110.70 -115.00 -75.27 126.92 1.13 98.86 0.01 1.01 0.05 0.00 0.00 0.00 0.00 98.89 0.04 47 L E E 21.83 18.63 21.59 40.01 101.29 175.53 -95.85 -34.02 1.95 98.03 0.02 1.31 0.48 0.02 0.00 0.00 0.00 98.16 0.02 48 I E E 10.86 21.65 22.09 43.49 136.31 4.77 -148.39 143.53 0.64 99.35 0.01 0.51 0.05 0.00 0.00 0.00 0.00 99.41 0.02 49 Y E E 63.30 17.46 23.50 39.60 129.15 -172.79 -132.53 139.07 5.41 94.53 0.06 4.49 0.52 0.08 0.02 0.02 0.00 94.70 0.16 50 G E E 10.96 18.67 21.28 38.86 131.71 153.79 -129.03 164.09 44.37 54.36 1.27 28.55 13.25 3.63 0.33 0.87 0.00 52.61 0.76 51 A C C 37.10 13.32 20.65 33.79 112.88 -112.88 -93.96 144.15 67.23 23.23 9.54 33.08 22.14 14.24 2.83 6.03 0.07 19.33 2.28 52 S C C 51.52 11.63 17.99 29.39 104.39 -124.67 -85.25 -0.80 72.80 8.75 18.45 29.54 21.79 23.50 5.71 11.37 0.10 5.59 2.42 53 S C C 64.23 8.13 17.69 26.23 101.64 66.69 -85.99 -1.77 69.41 7.24 23.35 26.81 20.70 24.01 8.09 13.52 0.13 4.20 2.54 54 R C C 121.00 9.23 16.20 25.87 105.01 65.46 -86.75 19.66 64.70 11.87 23.43 32.12 16.99 17.30 9.81 12.59 0.19 7.17 3.84 55 A C C 52.02 12.55 13.95 26.37 106.37 95.96 -85.21 59.04 68.68 11.62 19.70 36.89 15.88 17.06 8.03 10.96 0.14 7.25 3.78 56 T C T 84.00 6.30 17.22 24.48 111.17 155.26 -94.86 102.81 76.10 10.09 13.81 26.50 19.92 31.38 5.33 7.35 0.13 6.13 3.26 57 G C C 43.58 6.15 18.92 25.82 106.23 -2.97 90.46 4.11 88.81 7.43 3.76 33.39 27.94 28.40 0.74 2.96 0.00 4.57 2.00 58 I C C 34.12 20.57 11.69 31.16 115.38 121.68 -93.03 130.11 91.66 7.87 0.48 70.02 20.85 1.03 0.19 0.30 0.00 4.19 3.41 59 P C C 51.08 9.82 16.45 27.44 113.22 -112.24 -66.17 150.50 90.75 3.94 5.32 77.80 5.61 6.79 0.93 4.89 0.00 2.85 1.13 60 D C T 116.92 2.98 17.80 21.97 93.78 -109.96 -65.44 -19.54 79.58 2.97 17.45 12.65 21.73 45.08 1.38 16.36 0.01 2.01 0.78 61 R C T 107.85 9.95 18.25 28.43 95.24 63.69 -84.85 -6.19 71.15 10.67 18.18 12.40 19.32 40.21 1.40 16.40 0.03 9.16 1.08 62 F E E 20.68 23.40 13.05 35.66 116.14 81.25 -104.66 122.39 25.45 67.29 7.26 18.32 6.32 3.62 1.62 4.71 0.01 63.87 1.53 63 S E E 52.06 7.79 23.31 32.08 134.67 155.36 -133.96 153.81 11.04 88.66 0.31 9.34 1.58 0.35 0.15 0.16 0.00 87.41 1.02 64 G E E 20.89 18.65 15.57 33.00 141.07 165.77 -156.17 167.45 9.89 90.01 0.10 8.51 1.11 0.19 0.03 0.05 0.00 89.62 0.48 65 T E E 82.75 4.58 22.00 28.14 133.03 -157.38 -142.21 152.39 15.45 84.45 0.11 13.26 1.76 0.28 0.02 0.07 0.00 83.97 0.62 66 G E E 28.39 11.86 15.36 27.69 139.53 134.54 100.83 164.36 35.94 63.88 0.18 26.79 8.38 1.24 0.03 0.18 0.00 62.26 1.12 67 S C C 75.82 3.42 20.73 24.76 120.26 -110.06 -123.98 129.99 61.22 38.25 0.52 42.23 16.01 4.03 0.10 0.57 0.00 33.85 3.21 68 G C S 33.55 9.95 18.91 29.03 110.19 -42.78 64.78 -131.22 98.01 1.25 0.74 2.84 56.82 38.55 0.02 0.71 0.00 0.89 0.17 69 T C S 56.53 13.95 16.71 30.69 97.68 -10.72 -97.83 -2.02 97.79 1.61 0.60 2.71 56.94 38.36 0.02 0.55 0.00 1.26 0.16 70 D E E 61.05 8.69 22.43 32.25 118.83 84.68 -105.07 128.63 39.40 60.35 0.25 26.32 12.59 1.84 0.03 0.30 0.00 56.92 2.00 71 F E E 7.67 24.65 15.97 41.11 128.23 -173.67 -125.59 141.38 13.74 86.25 0.01 13.12 0.39 0.02 0.00 0.00 0.00 86.05 0.40 72 T E E 35.49 10.45 27.26 38.74 123.38 -163.68 -118.37 135.35 3.21 96.79 0.00 2.81 0.12 0.00 0.00 0.00 0.00 97.03 0.05 73 L E E 2.79 26.29 18.97 46.24 119.24 -162.14 -111.03 128.51 0.25 99.75 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.74 0.00 74 T E E 38.75 10.17 27.22 38.25 120.10 -164.42 -115.42 128.72 0.14 99.86 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.01 75 I E E 7.12 24.17 16.42 41.19 117.69 -166.83 -114.42 124.66 2.89 97.11 0.00 3.04 0.03 0.00 0.00 0.00 0.00 96.52 0.41 76 S C S 46.04 7.36 22.88 30.55 123.71 -167.47 -108.05 157.10 92.56 7.40 0.03 40.52 48.85 1.90 0.00 0.05 0.00 8.51 0.17 77 R C S 143.83 4.06 23.68 27.83 96.25 9.12 56.78 54.01 98.81 1.18 0.01 8.71 88.14 1.98 0.00 0.02 0.00 1.07 0.08 78 L C C 17.19 23.84 10.39 33.73 114.56 -148.82 -76.17 134.59 98.94 1.06 0.01 97.61 1.53 0.02 0.00 0.00 0.00 0.37 0.47 79 E C C 85.58 4.61 24.21 28.55 129.56 -170.53 -121.88 156.07 99.88 0.11 0.01 99.59 0.32 0.00 0.00 0.00 0.00 0.02 0.07 80 P H G 67.33 13.48 15.01 28.56 91.03 -105.65 -58.66 -32.27 3.37 0.01 96.62 0.16 0.19 2.22 0.31 97.12 0.00 0.01 0.00 81 E H G 123.11 4.12 21.32 26.27 89.92 62.87 -71.04 -16.22 2.65 0.02 97.33 0.08 0.13 1.85 0.21 97.71 0.00 0.01 0.00 82 D H G 17.29 19.81 16.83 36.94 94.09 60.63 -88.18 -3.27 3.55 0.04 96.41 0.41 0.34 1.71 0.31 97.19 0.00 0.03 0.00 83 F C C 42.20 18.38 20.14 38.30 116.13 103.22 -82.20 134.44 85.52 13.63 0.85 81.56 4.07 0.24 0.08 0.80 0.00 12.79 0.46 84 A E E 12.91 18.00 23.49 40.78 142.13 157.43 -151.73 173.17 7.20 92.78 0.02 6.54 0.59 0.04 0.00 0.01 0.00 92.35 0.46 85 V E E 30.97 15.89 25.46 41.16 118.93 -109.89 -107.51 131.44 0.79 99.21 0.00 0.73 0.03 0.00 0.00 0.00 0.00 99.22 0.02 86 Y E E 7.63 24.84 20.95 45.71 124.29 -167.17 -115.89 137.56 0.52 99.48 0.00 0.46 0.02 0.00 0.00 0.00 0.00 99.50 0.01 87 Y E E 32.23 16.65 27.09 43.43 129.11 -169.99 -123.22 144.37 1.62 98.37 0.02 1.39 0.08 0.01 0.00 0.00 0.00 98.46 0.04 88 C E E 3.62 25.03 21.10 46.26 123.64 -160.04 -116.07 136.78 7.63 92.28 0.10 6.44 0.82 0.11 0.02 0.04 0.00 92.38 0.18 89 Q E E 40.03 13.89 25.58 39.48 127.30 -170.66 -122.80 142.72 10.09 89.71 0.21 8.85 0.95 0.20 0.06 0.09 0.00 89.37 0.48 90 Q E E 41.09 17.49 18.38 35.49 119.07 -148.96 -103.32 133.46 22.55 77.08 0.38 19.22 2.74 0.65 0.11 0.23 0.00 76.04 1.01 91 Y E E 92.73 10.63 17.37 28.71 119.20 -166.17 -114.82 131.32 49.35 49.74 0.91 33.64 12.54 5.34 0.18 0.85 0.00 45.59 1.85 92 G C S 41.05 5.02 15.10 21.43 125.73 64.11 123.35 -170.41 87.24 11.83 0.94 19.15 41.54 26.25 0.06 1.07 0.00 11.04 0.88 93 R C S 185.61 1.63 14.63 16.56 100.25 -52.46 -87.34 -5.84 94.09 4.96 0.95 22.02 49.44 22.72 0.07 1.10 0.00 3.86 0.81 94 S C S 58.12 5.69 12.82 20.26 122.09 71.34 -104.82 143.53 90.34 8.89 0.77 36.93 47.26 6.54 0.10 0.83 0.00 6.79 1.55 95 P C S 78.70 7.42 15.97 24.33 109.74 -101.89 -69.98 142.12 88.98 9.97 1.04 33.72 39.41 15.70 0.10 1.13 0.00 9.26 0.69 96 W C C 82.29 15.95 14.46 29.89 117.72 -119.92 -98.24 131.89 59.82 39.17 1.01 42.00 11.99 5.60 0.13 0.99 0.00 38.19 1.10 97 T E E 57.57 10.27 21.26 31.85 124.76 -169.54 -119.70 137.32 29.63 69.89 0.49 25.49 3.09 0.82 0.15 0.35 0.00 66.63 3.46 98 F E E 49.82 19.63 16.27 34.91 116.83 -145.08 -96.80 133.54 24.09 75.47 0.44 19.70 3.09 0.84 0.22 0.30 0.00 68.38 7.46 99 G C C 21.29 13.49 18.76 32.09 120.37 -137.50 -80.00 172.49 66.17 33.41 0.42 46.16 15.79 3.76 0.06 0.42 0.00 32.76 1.05 100 Q C C 121.17 4.64 22.45 27.49 105.76 -71.01 -79.69 59.15 71.38 28.11 0.50 43.08 23.26 4.50 0.06 0.53 0.00 27.71 0.86 101 G C C 18.15 18.65 15.21 32.45 126.96 -122.63 -61.20 171.96 64.23 35.52 0.25 51.25 9.19 1.48 0.03 0.25 0.00 37.24 0.55 102 T E E 38.95 13.86 19.38 33.67 127.11 -112.16 -121.71 142.88 13.90 86.04 0.05 12.65 0.78 0.08 0.01 0.03 0.00 86.08 0.35 103 K E E 113.10 8.29 20.74 30.02 117.83 -136.95 -97.29 132.68 2.17 97.81 0.02 1.93 0.14 0.02 0.01 0.01 0.00 97.77 0.12 104 V E E 22.91 19.76 13.05 32.56 123.06 -166.93 -118.34 133.85 3.53 96.45 0.02 3.36 0.12 0.01 0.01 0.01 0.00 96.33 0.17 105 E E E 116.38 4.12 20.57 25.50 115.80 -147.10 -99.59 129.38 12.96 87.02 0.03 13.17 0.21 0.03 0.01 0.01 0.00 85.90 0.66 106 I C C 36.72 20.00 13.17 32.21 112.81 -154.05 -93.42 125.23 98.81 1.19 0.00 98.94 0.05 0.01 0.00 0.00 0.00 0.99 0.01