# 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 48.45 15.31 20.19 35.15 121.23 -160.55 -108.99 137.84 99.27 0.73 0.00 99.18 0.20 0.02 0.00 0.00 0.00 0.58 0.02 1 Y E E 51.89 14.48 21.38 35.90 133.45 -163.67 -132.08 150.08 6.80 93.20 0.00 6.75 0.13 0.01 0.00 0.00 0.00 92.93 0.18 2 A E E 5.42 21.75 19.62 41.60 129.02 -162.99 -129.25 145.30 0.51 99.49 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.51 0.00 3 L E E 27.24 13.70 24.95 39.43 116.73 -142.53 -103.69 127.29 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 4 V E E 5.34 23.46 18.15 42.03 123.02 -168.97 -118.34 134.75 0.04 99.96 0.00 0.03 0.00 0.00 0.00 0.00 0.00 99.96 0.00 5 E E E 62.93 8.92 22.66 32.52 114.30 -147.58 -102.25 122.75 0.50 99.50 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.00 6 I E E 25.14 18.66 12.17 30.57 120.80 174.37 -131.19 121.67 5.63 94.34 0.03 3.66 1.05 0.31 0.00 0.03 0.00 94.82 0.13 7 N C T 115.05 3.94 15.26 20.70 93.18 -16.67 54.01 43.45 99.49 0.34 0.17 0.29 3.99 95.30 0.00 0.16 0.00 0.22 0.02 8 G C T 63.11 1.27 14.47 15.67 94.70 -47.65 80.71 2.07 99.80 0.09 0.10 0.33 4.06 95.44 0.00 0.10 0.00 0.06 0.01 9 K E E 114.85 3.77 14.84 20.56 127.19 101.01 -115.76 146.90 4.94 95.06 0.00 3.72 0.71 0.03 0.00 0.00 0.00 95.44 0.09 10 Q E E 93.18 10.17 13.84 25.05 117.78 -129.23 -96.78 133.49 0.86 99.14 0.00 0.74 0.02 0.00 0.00 0.00 0.00 99.24 0.00 11 Y E E 49.07 14.90 16.11 31.80 128.77 -172.70 -128.74 143.21 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 12 K E E 107.22 7.26 23.39 31.29 115.92 -132.68 -95.91 131.98 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.90 0.00 13 A E E 5.77 23.97 12.85 36.83 126.66 -169.97 -119.33 144.43 1.07 98.93 0.00 1.07 0.02 0.00 0.00 0.00 0.00 98.86 0.06 14 I C C 82.92 4.82 23.97 28.75 128.25 -158.31 -116.54 155.29 56.09 43.90 0.01 55.81 0.61 0.04 0.00 0.01 0.00 42.87 0.66 15 E C T 109.45 9.75 14.77 25.49 109.55 -81.17 -58.77 133.96 99.35 0.51 0.14 0.15 1.41 98.06 0.00 0.08 0.00 0.26 0.04 16 G C T 49.78 3.13 18.72 22.39 96.31 23.06 88.66 -6.84 99.82 0.11 0.07 0.24 1.60 98.03 0.00 0.05 0.00 0.07 0.01 17 E C C 74.07 9.90 15.77 26.89 119.36 125.34 -79.14 148.23 96.19 3.79 0.03 91.45 4.71 0.10 0.01 0.02 0.00 3.45 0.27 18 F E E 101.94 10.13 18.66 29.51 119.47 -137.11 -104.50 132.91 17.71 82.26 0.03 17.87 0.24 0.03 0.01 0.01 0.00 80.31 1.52 19 L E E 17.21 20.87 15.47 36.27 123.27 -167.73 -117.40 135.05 5.91 94.07 0.03 5.47 0.24 0.02 0.01 0.01 0.00 94.08 0.16 20 K E E 106.69 7.23 23.54 31.52 117.38 -150.56 -105.93 126.64 4.06 95.90 0.04 3.79 0.18 0.03 0.02 0.01 0.00 95.75 0.21 21 I E E 15.62 22.07 13.78 35.81 118.42 -167.73 -115.10 122.48 14.02 85.70 0.28 13.76 0.39 0.10 0.14 0.11 0.00 85.08 0.43 22 D E E 75.86 5.85 21.79 27.83 115.35 -146.18 -85.32 150.63 47.00 52.31 0.69 29.87 12.77 3.55 0.09 0.71 0.00 52.63 0.39 23 K C C 112.60 9.07 19.13 28.45 108.63 -25.87 -72.35 111.62 68.22 31.19 0.59 50.16 13.62 3.75 0.06 0.76 0.00 30.51 1.14 24 I C C 33.25 19.00 12.40 30.86 118.28 -167.92 -105.77 130.45 77.36 22.44 0.20 72.68 4.39 0.36 0.06 0.16 0.00 17.28 5.07 25 S C C 85.93 2.09 22.49 24.03 104.44 -131.18 -80.56 84.78 97.00 2.97 0.04 86.99 9.69 0.45 0.01 0.04 0.00 2.39 0.42 26 P C C 29.55 18.49 9.63 26.95 129.62 156.30 -111.83 157.39 99.21 0.75 0.04 92.94 6.09 0.23 0.01 0.03 0.00 0.35 0.34 27 V C C 94.71 2.40 20.06 21.72 120.81 -120.69 -91.26 153.00 99.08 0.79 0.13 97.20 1.55 0.30 0.04 0.06 0.00 0.29 0.56 28 E C T 117.63 6.66 13.27 21.38 109.33 -83.89 -60.39 137.32 99.51 0.22 0.27 0.46 3.65 95.50 0.02 0.19 0.00 0.12 0.06 29 K C T 145.79 3.22 16.46 20.60 94.25 13.66 70.27 11.77 99.71 0.15 0.14 0.93 3.17 95.64 0.01 0.13 0.00 0.11 0.01 30 D C C 59.57 8.60 14.42 24.56 119.19 129.09 -81.93 148.48 92.59 7.37 0.04 86.83 5.25 0.18 0.00 0.05 0.00 7.37 0.32 31 K E E 112.89 7.88 18.02 27.33 122.82 -142.52 -114.07 138.86 9.71 90.28 0.01 9.70 0.23 0.01 0.00 0.00 0.00 89.52 0.53 32 L E E 19.41 20.37 14.28 34.60 125.99 -168.80 -123.03 140.26 0.80 99.20 0.00 0.76 0.01 0.00 0.00 0.00 0.00 99.19 0.03 33 E E E 102.05 6.15 24.00 30.85 116.79 -147.99 -104.96 127.83 0.83 99.17 0.00 0.78 0.01 0.00 0.00 0.00 0.00 99.18 0.02 34 F E E 13.05 23.82 13.20 37.00 121.21 -167.72 -113.70 132.44 5.31 94.68 0.01 5.15 0.14 0.01 0.00 0.00 0.00 94.57 0.12 35 N E E 81.95 5.86 23.62 29.95 98.70 -169.80 -87.87 -24.25 22.76 77.19 0.06 13.20 8.90 0.45 0.00 0.05 0.00 77.29 0.11 36 S E E 30.55 11.10 23.79 35.42 133.15 15.33 -139.99 146.88 14.46 85.48 0.06 9.99 3.55 0.26 0.00 0.04 0.00 86.08 0.07 37 V E E 5.41 24.90 19.45 44.75 122.51 -157.80 -119.37 132.07 1.72 98.28 0.01 1.59 0.07 0.00 0.00 0.00 0.00 98.30 0.03 38 L E E 12.93 18.50 25.82 44.21 119.67 -157.81 -108.88 132.26 0.33 99.67 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.70 0.01 39 L E E 12.41 21.12 23.77 44.44 118.78 -156.92 -107.08 130.11 0.33 99.67 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.01 40 I E E 16.69 18.13 21.19 39.56 121.87 -168.00 -116.04 131.50 1.33 98.66 0.00 1.16 0.08 0.01 0.00 0.00 0.00 98.69 0.07 41 N E E 35.59 14.04 16.67 31.49 126.38 -171.56 -119.97 145.16 22.93 76.97 0.10 19.47 2.46 0.35 0.02 0.08 0.00 77.27 0.36 42 K C T 110.51 7.78 14.79 23.71 112.56 -163.61 -115.41 84.81 66.35 30.87 2.78 12.88 22.37 32.19 0.18 2.74 0.00 28.59 1.04 43 D C T 126.50 0.99 15.63 15.54 96.37 4.89 22.74 29.59 95.20 1.45 3.35 4.71 26.73 63.27 0.14 3.80 0.00 1.01 0.34 44 G C S 47.20 5.84 13.11 20.27 97.08 -66.76 82.93 2.20 95.50 1.20 3.29 8.53 45.99 40.73 0.16 3.49 0.00 0.79 0.29 45 E C C 110.87 3.49 18.33 22.79 122.35 107.53 -107.74 145.12 63.70 35.53 0.77 34.25 22.73 7.07 0.11 0.74 0.00 33.89 1.20 46 V E E 41.04 19.40 11.54 30.12 119.28 -139.40 -106.55 129.47 22.80 77.12 0.08 20.62 1.47 0.15 0.03 0.05 0.00 77.14 0.54 47 K E E 94.47 7.30 21.95 29.97 124.18 -171.67 -121.00 137.12 3.92 96.00 0.08 3.47 0.29 0.06 0.05 0.03 0.00 95.47 0.63 48 I E E 60.84 16.41 14.90 30.93 120.84 -156.14 -111.83 133.44 8.22 91.66 0.13 6.93 0.96 0.20 0.06 0.06 0.00 91.01 0.78 49 G C S 28.67 8.58 18.41 27.43 131.63 47.26 113.33 -170.29 76.48 23.42 0.10 30.71 42.39 2.56 0.01 0.10 0.00 23.72 0.50 50 K C S 135.06 3.86 19.76 24.37 115.76 -46.12 -85.15 136.61 91.25 8.61 0.14 36.62 52.80 2.05 0.02 0.14 0.00 7.63 0.74 51 P C S 55.01 15.20 14.71 29.37 106.25 -99.00 -68.21 125.84 90.22 7.78 2.01 32.50 41.42 16.50 0.22 2.01 0.00 6.25 1.09 52 Y C C 97.04 10.91 20.13 30.89 101.33 83.91 -89.81 -15.44 68.03 29.52 2.45 29.07 27.38 13.16 0.46 2.20 0.02 20.19 7.52 53 V C C 15.12 22.54 13.27 35.28 114.83 60.71 -104.73 116.00 58.68 38.32 3.00 39.94 14.22 4.41 0.75 2.48 0.01 27.59 10.60 54 V C T 88.61 5.38 21.19 27.39 116.56 -148.12 -92.73 140.41 71.19 27.77 1.04 19.83 19.50 33.37 0.18 0.89 0.01 23.96 2.26 55 N C S 106.08 4.13 22.12 26.34 95.51 9.57 63.19 32.73 82.62 16.97 0.41 12.78 35.10 33.77 0.03 0.44 0.00 17.42 0.47 56 S C C 10.01 22.57 12.54 34.61 120.29 153.14 -87.89 147.25 68.64 31.32 0.04 62.73 3.69 0.16 0.01 0.04 0.00 33.05 0.32 57 L E E 58.91 8.65 26.42 35.82 123.44 -150.91 -118.84 136.93 3.87 96.13 0.00 3.80 0.14 0.01 0.00 0.00 0.00 95.85 0.20 58 I E E 5.83 26.11 16.41 43.35 122.10 -162.12 -116.78 131.32 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 59 R E E 91.46 7.73 27.32 35.70 120.04 -166.87 -115.27 129.63 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 60 C E E 6.44 25.18 15.21 40.62 130.30 -171.56 -128.21 148.56 0.24 99.76 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.80 0.00 61 T E E 50.29 6.93 26.58 34.32 122.29 -158.87 -119.38 133.70 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 62 Y E E 36.26 20.94 14.01 34.90 109.93 -124.13 -80.31 123.29 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 63 K E E 99.12 5.57 20.22 26.55 100.24 176.37 -91.39 -34.94 4.92 95.07 0.01 2.46 1.94 0.17 0.00 0.01 0.00 95.39 0.03 64 E E E 95.44 4.12 22.13 26.70 138.24 -0.40 -150.73 151.93 11.98 88.01 0.01 3.90 7.68 0.45 0.00 0.01 0.00 87.86 0.09 65 D E E 58.76 17.65 12.20 28.73 125.33 -161.44 -120.21 132.32 22.72 77.24 0.04 19.19 2.69 0.17 0.00 0.03 0.00 77.76 0.16 66 K E E 87.44 6.17 18.98 26.16 131.27 170.98 -135.47 153.73 24.31 75.65 0.04 22.17 1.56 0.13 0.01 0.03 0.00 75.38 0.72 67 K E E 121.56 8.04 14.23 23.76 117.34 -124.46 -96.42 136.76 26.27 73.67 0.06 21.35 4.49 0.29 0.02 0.05 0.00 71.92 1.89 68 D E E 57.78 10.08 12.83 23.99 124.14 -153.60 -102.48 157.57 49.22 50.72 0.06 35.96 11.26 0.53 0.01 0.06 0.00 51.62 0.57 69 K E E 130.98 4.08 17.28 22.36 114.55 -98.32 -77.82 141.80 44.99 54.95 0.07 36.34 6.63 0.37 0.01 0.06 0.00 56.23 0.36 70 K E E 85.27 11.36 13.56 25.66 117.18 -121.24 -89.81 138.60 19.33 80.61 0.05 17.42 1.29 0.10 0.01 0.03 0.00 80.81 0.34 71 V E E 42.72 11.70 14.89 28.22 119.00 -146.05 -107.84 129.73 2.22 97.77 0.01 2.14 0.07 0.01 0.01 0.00 0.00 97.64 0.13 72 V E E 48.35 9.87 17.35 29.00 117.35 -154.96 -105.39 127.63 1.56 98.43 0.01 1.45 0.05 0.00 0.00 0.00 0.00 98.46 0.03 73 S E E 28.91 11.97 15.50 29.08 121.06 -165.22 -111.27 134.76 2.15 97.82 0.02 1.92 0.10 0.01 0.01 0.01 0.00 97.91 0.04 74 Y E E 75.85 9.98 15.41 27.07 127.47 -171.31 -123.77 144.52 3.19 96.74 0.07 2.83 0.20 0.04 0.03 0.02 0.00 96.77 0.12 75 R E E 109.31 7.33 15.08 23.97 120.49 -149.16 -112.05 135.38 13.52 86.23 0.26 11.40 1.67 0.32 0.09 0.13 0.00 86.06 0.33 76 Y E E 96.16 8.39 10.67 20.84 118.38 -146.11 -100.12 136.60 43.19 56.04 0.77 36.27 5.68 0.97 0.32 0.45 0.00 55.14 1.17 77 R C C 131.87 3.86 10.60 16.18 115.29 -141.93 -89.38 139.14 76.20 20.22 3.58 52.39 18.84 4.95 1.16 2.35 0.00 18.83 1.48 78 R C S 173.98 2.00 9.36 12.59 101.21 -109.77 -71.71 -10.29 82.18 5.42 12.40 18.86 39.69 25.05 2.46 8.74 0.03 3.99 1.18 79 R C S 179.20 1.10 8.86 10.55 108.57 50.77 -90.32 81.13 80.06 5.54 14.40 20.36 33.90 26.88 2.35 11.16 0.02 3.82 1.51 80 K C T 154.84 1.51 8.73 11.26 104.28 -46.81 -86.70 15.90 85.01 3.21 11.78 9.57 20.25 55.06 1.27 10.70 0.01 2.26 0.88 81 S C T 85.45 2.08 10.18 13.30 100.80 0.44 -79.28 42.69 90.75 4.08 5.17 15.86 17.37 56.96 0.53 5.20 0.00 3.49 0.58 82 S C C 54.48 6.94 8.19 16.84 119.16 129.64 -95.07 142.08 68.43 29.29 2.28 56.42 7.98 3.43 0.43 2.16 0.00 27.01 2.56 83 E E E 110.95 4.60 11.47 17.98 121.36 -158.52 -112.15 139.16 48.73 50.55 0.72 41.39 4.98 1.67 0.15 0.58 0.00 49.72 1.52 84 R E E 137.73 6.05 11.86 19.85 119.73 -146.70 -104.64 134.71 35.78 64.00 0.22 31.44 3.19 0.56 0.04 0.17 0.00 64.09 0.51 85 K E E 99.97 8.68 12.63 22.70 122.79 -166.14 -114.57 138.76 20.99 78.88 0.12 18.15 2.06 0.27 0.03 0.08 0.00 79.07 0.35 86 V E E 89.55 6.34 15.02 23.04 121.66 -156.90 -114.02 136.39 10.63 89.30 0.07 8.76 1.26 0.14 0.01 0.05 0.00 89.54 0.25 87 G E E 24.53 10.74 13.04 24.75 133.35 147.45 -141.87 171.18 7.28 92.68 0.04 6.15 0.67 0.07 0.01 0.03 0.00 92.88 0.19 88 H E E 101.80 6.84 17.03 25.12 123.24 -109.09 -114.66 142.62 8.06 91.90 0.04 7.55 0.41 0.05 0.01 0.02 0.00 91.05 0.91 89 R E E 100.06 12.79 13.74 26.89 119.24 -139.52 -101.97 138.57 26.55 73.42 0.04 24.46 1.57 0.12 0.01 0.03 0.00 73.03 0.79 90 Q E E 72.45 10.20 16.25 27.44 118.47 -130.84 -89.91 139.41 49.23 50.75 0.01 45.64 1.68 0.07 0.00 0.01 0.00 52.20 0.39 91 T E E 66.43 9.39 18.05 27.97 112.50 -114.91 -73.74 140.63 46.55 53.43 0.02 42.98 1.60 0.06 0.00 0.01 0.00 55.05 0.29 92 Y E E 60.37 14.52 16.90 31.74 135.46 139.14 -137.66 155.33 12.22 87.77 0.01 11.07 0.75 0.04 0.00 0.01 0.00 87.77 0.36 93 S E E 20.15 15.72 18.49 34.91 123.85 -133.21 -111.76 143.86 3.69 96.31 0.00 3.42 0.11 0.00 0.00 0.00 0.00 96.39 0.07 94 Y E E 71.69 12.45 22.53 35.22 122.90 -153.71 -116.49 135.41 1.84 98.15 0.00 1.61 0.09 0.00 0.00 0.00 0.00 98.29 0.02 95 I E E 16.13 21.81 17.92 39.91 118.73 -156.77 -109.68 127.30 1.12 98.88 0.00 1.03 0.02 0.00 0.00 0.00 0.00 98.95 0.00 96 L E E 56.67 8.70 24.98 34.26 118.05 -158.49 -107.51 128.08 0.91 99.09 0.00 0.87 0.01 0.00 0.00 0.00 0.00 99.11 0.01 97 V E E 14.83 22.12 13.13 35.38 112.48 -145.25 -92.00 121.01 1.93 98.07 0.00 1.95 0.02 0.00 0.00 0.00 0.00 98.00 0.03 98 D E E 78.31 4.52 20.81 25.88 101.03 176.67 -93.71 -32.89 9.47 90.51 0.02 5.86 2.64 0.13 0.00 0.01 0.00 91.32 0.03 99 E E E 98.69 3.86 22.05 26.29 137.58 1.11 -151.76 152.40 5.23 94.75 0.01 3.72 1.02 0.07 0.00 0.01 0.00 95.16 0.02 100 I E E 40.61 19.98 11.27 30.41 119.33 -145.07 -112.76 126.53 4.76 95.23 0.01 4.59 0.14 0.01 0.00 0.01 0.00 95.08 0.16 101 V E E 70.76 5.72 17.70 24.60 117.65 -162.70 -110.38 128.68 13.53 86.46 0.01 13.79 0.17 0.02 0.00 0.01 0.00 85.45 0.57 102 F C C 104.13 10.66 14.19 25.18 112.79 -135.18 -92.61 121.13 98.72 1.28 0.00 98.77 0.04 0.00 0.00 0.00 0.00 1.18 0.01