# 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 108.66 6.68 14.21 21.94 114.70 -167.52 -99.80 125.09 99.50 0.49 0.01 99.56 0.07 0.02 0.00 0.00 0.00 0.33 0.03 1 I C C 84.58 8.60 11.07 21.06 116.03 -153.95 -100.42 125.44 71.38 27.88 0.74 70.98 0.75 0.53 0.33 0.29 0.00 20.50 6.61 2 Q C C 112.13 5.31 12.38 19.67 117.35 -162.90 -103.76 133.09 72.24 26.93 0.83 59.29 10.19 1.66 0.29 0.64 0.00 23.49 4.43 3 R C C 126.47 6.45 14.66 22.73 123.46 -158.46 -112.76 142.54 76.76 22.95 0.29 58.12 18.44 0.82 0.10 0.23 0.00 16.43 5.86 4 T C C 73.75 8.73 17.80 27.13 116.64 -108.68 -76.84 143.16 95.46 4.52 0.02 91.51 3.87 0.09 0.00 0.01 0.00 4.29 0.23 5 P C C 17.29 21.77 12.78 34.31 116.24 -107.63 -68.24 149.62 94.37 5.61 0.02 91.50 2.64 0.11 0.00 0.01 0.00 5.50 0.23 6 K E E 108.08 5.45 24.50 30.48 120.11 -136.92 -105.19 136.24 14.54 85.45 0.01 13.30 1.00 0.03 0.00 0.01 0.00 84.54 1.12 7 I E E 18.13 23.94 13.85 37.52 123.45 -161.99 -118.50 133.55 2.23 97.77 0.00 2.06 0.07 0.00 0.00 0.00 0.00 97.82 0.05 8 Q E E 69.73 7.88 25.56 33.82 123.97 -169.10 -118.68 137.96 0.52 99.48 0.00 0.48 0.02 0.00 0.00 0.00 0.00 99.50 0.01 9 V E E 18.90 23.16 16.35 39.13 123.02 -163.02 -117.88 133.51 0.57 99.43 0.00 0.51 0.02 0.00 0.00 0.00 0.00 99.45 0.01 10 Y E E 75.90 9.52 24.01 33.97 132.11 -176.11 -131.90 151.75 2.08 97.91 0.01 1.87 0.10 0.01 0.00 0.00 0.00 97.92 0.10 11 S E E 23.65 18.46 15.16 33.19 121.75 -135.45 -98.49 145.87 19.30 80.64 0.06 17.99 1.05 0.10 0.02 0.03 0.00 80.08 0.72 12 R C S 114.14 8.26 18.48 27.54 98.87 -146.17 -85.96 -22.77 80.96 18.98 0.05 27.05 52.88 0.87 0.01 0.05 0.00 18.63 0.51 13 H C S 100.53 5.06 18.57 24.57 126.45 25.25 -128.13 140.90 91.19 8.77 0.04 10.85 79.80 0.85 0.00 0.03 0.00 8.00 0.46 14 P C C 83.78 6.07 18.27 25.22 114.67 -92.43 -66.89 147.21 94.00 5.69 0.31 84.93 7.36 1.61 0.06 0.31 0.00 4.75 0.97 15 A C C 26.62 18.76 9.25 26.80 117.34 -121.77 -82.23 145.31 93.37 5.74 0.88 86.16 5.21 1.69 0.24 0.68 0.00 2.64 3.38 16 E C C 121.35 2.98 17.38 21.10 120.63 -145.85 -108.47 139.19 85.36 13.33 1.31 67.59 12.62 2.50 0.47 0.77 0.00 3.34 12.71 17 N C T 122.57 3.53 12.33 17.52 105.97 -77.70 -57.10 122.47 98.58 0.55 0.87 1.01 6.30 91.34 0.06 0.75 0.00 0.34 0.20 18 G C T 61.78 1.27 14.48 15.62 95.70 11.83 84.93 -2.18 99.19 0.27 0.54 1.43 6.85 90.87 0.03 0.55 0.00 0.20 0.06 19 K C S 101.40 5.67 13.37 21.01 125.23 109.14 -105.96 150.30 85.45 14.27 0.28 37.79 48.71 0.66 0.09 0.18 0.00 5.31 7.27 20 S C C 61.40 6.24 17.88 24.97 116.40 -107.35 -72.16 147.00 90.63 9.33 0.04 89.17 1.58 0.16 0.01 0.02 0.00 8.36 0.70 21 N E E 20.11 20.06 14.02 33.80 123.36 -148.47 -112.32 142.20 39.95 60.02 0.02 37.31 1.77 0.09 0.00 0.02 0.00 59.02 1.78 22 F E E 67.64 10.05 24.49 35.13 122.31 -152.68 -115.96 133.36 3.43 96.56 0.00 3.29 0.14 0.00 0.00 0.00 0.00 96.30 0.26 23 L E E 5.08 25.07 17.66 43.43 119.93 -158.76 -109.10 129.52 0.95 99.05 0.00 0.80 0.11 0.00 0.00 0.00 0.00 99.08 0.02 24 N E E 43.04 10.16 27.10 38.07 118.38 -163.03 -111.76 127.56 0.79 99.21 0.00 0.65 0.05 0.00 0.00 0.00 0.00 99.29 0.00 25 C E E 3.12 25.84 17.85 44.35 124.50 -170.82 -121.23 135.24 0.83 99.17 0.00 0.68 0.03 0.00 0.00 0.00 0.00 99.28 0.01 26 Y E E 64.51 10.08 28.07 39.17 121.43 -166.24 -118.21 130.61 0.25 99.75 0.00 0.21 0.01 0.00 0.00 0.00 0.00 99.78 0.01 27 V E E 4.09 25.67 18.25 44.45 122.36 -168.72 -116.94 131.17 0.44 99.56 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.01 28 S E E 37.29 9.35 25.33 35.10 132.26 -177.14 -129.09 153.40 3.84 96.15 0.01 2.37 0.86 0.13 0.00 0.01 0.00 96.59 0.03 29 G E E 28.56 7.35 24.92 33.90 95.70 21.34 78.46 22.30 14.80 85.18 0.03 6.56 6.80 0.58 0.00 0.03 0.00 85.95 0.08 30 F E E 17.77 23.39 15.73 38.76 122.64 148.64 -90.19 148.80 14.53 85.44 0.03 13.50 0.92 0.06 0.02 0.02 0.00 81.27 4.21 31 H C C 57.51 12.95 23.45 36.46 127.40 -145.56 -119.75 136.90 68.93 30.96 0.11 59.01 8.12 0.60 0.03 0.12 0.00 29.00 3.12 32 P C S 43.16 10.16 21.21 31.85 114.59 24.76 -71.34 152.29 91.91 6.62 1.47 32.58 39.54 19.69 0.10 1.91 0.00 5.20 0.97 33 S C S 50.86 12.91 16.46 29.51 94.64 -130.04 -68.34 -20.25 94.16 4.70 1.14 6.87 44.47 42.82 0.04 1.37 0.00 3.89 0.54 34 D C C 99.04 3.29 22.09 25.63 104.81 66.18 -93.83 78.08 87.29 11.63 1.08 39.68 17.03 29.97 0.06 1.46 0.00 11.21 0.59 35 I C C 13.38 23.67 11.01 34.10 122.46 147.21 -110.08 139.52 54.93 45.04 0.03 51.69 2.24 0.09 0.00 0.02 0.00 45.52 0.44 36 E E E 102.63 4.70 26.09 31.09 116.66 -152.20 -107.37 127.74 7.47 92.52 0.00 7.27 0.13 0.01 0.00 0.00 0.00 92.39 0.20 37 V E E 5.12 26.25 14.13 41.17 123.20 -169.15 -120.53 133.11 0.78 99.22 0.00 0.78 0.01 0.00 0.00 0.00 0.00 99.19 0.01 38 D E E 51.96 8.16 27.51 36.40 125.91 -172.64 -123.65 141.18 0.45 99.55 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.56 0.00 39 L E E 5.14 25.03 17.01 42.89 119.09 -146.19 -105.18 131.04 0.99 99.01 0.00 0.85 0.05 0.00 0.00 0.00 0.00 99.09 0.01 40 L E E 31.81 10.74 22.54 34.72 125.86 -167.46 -119.91 142.34 1.11 98.88 0.01 0.95 0.07 0.01 0.00 0.00 0.00 98.95 0.02 41 K E E 52.06 16.11 14.73 30.82 119.68 -166.96 -125.58 123.39 1.43 98.55 0.03 0.78 0.36 0.15 0.00 0.02 0.00 98.34 0.34 42 N C T 107.72 4.86 15.70 22.24 92.73 -15.55 54.62 42.31 99.46 0.36 0.17 0.20 2.04 97.36 0.00 0.13 0.00 0.23 0.02 43 G C T 57.77 2.70 14.13 17.94 94.60 -52.29 80.34 2.06 99.82 0.09 0.09 0.26 2.46 97.14 0.00 0.08 0.00 0.06 0.01 44 E E E 123.11 2.32 15.93 19.31 121.47 112.38 -105.38 137.65 1.99 98.00 0.01 1.11 0.70 0.05 0.00 0.00 0.00 97.65 0.49 45 R E E 141.11 6.41 14.93 23.21 112.66 -109.31 -68.14 134.61 3.37 96.62 0.01 2.91 0.22 0.02 0.00 0.00 0.00 96.47 0.36 46 I C C 25.27 19.93 9.32 28.37 112.37 -140.37 -94.69 123.22 79.10 20.77 0.14 77.84 0.73 0.17 0.01 0.11 0.00 20.84 0.30 47 E C T 134.21 2.35 19.40 21.92 117.72 -147.03 -88.09 146.71 87.52 11.22 1.26 33.25 15.06 38.78 0.08 1.60 0.00 10.70 0.52 48 K C T 154.72 2.11 18.78 20.78 94.27 13.05 61.82 33.84 90.20 8.91 0.89 21.84 23.21 44.16 0.04 1.26 0.00 9.21 0.28 49 V C C 25.53 21.20 9.11 28.87 118.81 148.58 -92.47 137.95 64.72 35.21 0.07 58.91 3.75 0.18 0.01 0.07 0.00 36.72 0.38 50 E E E 109.71 4.49 22.63 27.69 121.90 -161.54 -113.71 136.89 5.80 94.18 0.02 5.54 0.27 0.03 0.01 0.01 0.00 93.33 0.83 51 H E E 75.57 17.71 13.72 30.22 123.07 -151.88 -108.83 138.16 5.33 94.63 0.03 4.82 0.43 0.06 0.01 0.02 0.00 93.78 0.87 52 S E E 41.68 10.12 16.64 27.66 126.10 -168.55 -113.28 164.23 41.75 58.10 0.14 36.48 3.69 0.38 0.02 0.14 0.00 58.87 0.42 53 D E E 93.11 4.26 21.37 25.89 115.68 -80.36 -83.55 138.37 48.11 51.73 0.17 40.04 5.78 0.54 0.02 0.17 0.00 53.09 0.36 54 L E E 54.62 19.27 11.87 29.77 119.68 -136.54 -97.01 138.89 35.75 64.04 0.20 33.35 1.51 0.18 0.03 0.16 0.00 64.29 0.48 55 S E E 48.72 5.82 20.94 27.75 134.76 174.83 -140.18 159.65 3.91 96.05 0.04 3.49 0.30 0.04 0.01 0.02 0.00 95.60 0.53 56 F E E 101.48 11.69 12.95 25.20 119.50 -129.67 -100.88 137.06 3.76 96.21 0.03 3.38 0.30 0.03 0.01 0.02 0.00 94.13 2.14 57 S C C 37.69 8.26 10.82 20.95 124.26 -138.45 -87.25 173.71 91.88 8.06 0.06 91.64 0.60 0.14 0.01 0.03 0.00 7.10 0.48 58 K C T 180.75 0.59 12.38 12.15 91.25 -93.84 -63.25 -22.27 98.34 0.65 1.02 0.75 5.20 92.29 0.03 1.14 0.00 0.47 0.11 59 D C T 107.09 1.74 13.07 15.03 93.49 54.78 -89.12 4.40 98.94 0.07 0.99 0.35 4.43 94.04 0.02 1.09 0.00 0.04 0.02 60 W C S 114.51 9.42 13.07 23.82 94.54 -108.07 71.63 21.84 97.57 0.93 1.50 14.17 72.98 10.44 0.08 1.44 0.00 0.62 0.26 61 S C C 26.41 9.45 16.66 28.09 121.74 139.40 -90.88 151.64 78.08 21.89 0.03 74.06 3.56 0.18 0.01 0.02 0.00 21.10 1.07 62 F E E 27.26 17.84 16.16 34.57 125.90 -144.68 -118.30 143.69 1.51 98.49 0.00 1.39 0.05 0.00 0.00 0.00 0.00 98.28 0.28 63 Y E E 59.07 12.43 21.92 35.02 126.38 -166.16 -122.50 141.20 0.51 99.49 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.52 0.01 64 L E E 17.38 19.81 18.46 38.43 122.36 -160.88 -117.47 133.09 0.61 99.39 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.40 0.00 65 L E E 36.92 12.64 22.69 36.19 120.85 -162.04 -113.59 131.79 0.52 99.48 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.50 0.01 66 Y E E 24.47 19.43 18.97 38.49 127.44 -171.46 -124.43 140.60 0.35 99.64 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.67 0.01 67 Y E E 71.55 12.19 22.73 35.18 124.55 -165.11 -120.97 136.24 1.04 98.95 0.00 0.87 0.07 0.00 0.00 0.00 0.00 99.04 0.02 68 T E E 13.74 19.36 17.10 36.75 128.65 -177.39 -129.68 143.24 3.07 96.93 0.00 2.86 0.11 0.00 0.00 0.00 0.00 96.97 0.06 69 E E E 106.69 5.55 24.08 30.11 113.21 -123.00 -81.91 131.21 10.76 89.24 0.00 10.12 0.48 0.02 0.00 0.00 0.00 88.99 0.38 70 F E E 17.85 22.68 13.07 35.32 132.29 170.75 -135.82 150.74 45.55 54.43 0.02 45.15 0.89 0.03 0.01 0.01 0.00 50.74 3.18 71 T C C 73.74 4.36 25.11 29.50 112.35 -140.26 -108.12 116.28 94.63 5.35 0.01 93.10 1.69 0.06 0.00 0.01 0.00 4.71 0.42 72 P C C 26.96 21.25 11.54 31.89 114.22 -126.34 -68.18 142.65 97.04 2.78 0.18 85.13 10.65 1.18 0.03 0.19 0.00 2.18 0.64 73 T C C 60.53 4.39 20.05 24.79 132.33 168.57 -129.13 168.57 96.36 3.33 0.31 87.23 7.35 1.02 0.10 0.21 0.00 1.01 3.07 74 E C T 144.13 3.39 14.20 19.20 93.01 -91.36 -63.60 -26.53 98.12 0.53 1.35 2.83 17.63 77.42 0.07 1.52 0.00 0.32 0.19 75 K C T 150.45 1.89 17.02 18.76 97.60 49.87 -87.98 -1.45 98.48 0.58 0.94 5.37 14.47 78.33 0.05 1.21 0.00 0.46 0.11 76 D C C 30.93 16.72 11.58 28.25 119.30 100.75 -90.51 142.41 88.86 10.21 0.93 67.22 19.71 1.85 0.11 1.09 0.00 8.88 1.14 77 E C C 86.45 7.78 22.65 30.94 123.63 -154.02 -113.61 137.90 56.95 42.91 0.14 54.24 1.81 0.22 0.02 0.10 0.00 42.55 1.06 78 Y E E 16.34 23.22 16.77 39.76 130.49 -169.98 -127.12 147.68 5.93 94.05 0.02 5.64 0.26 0.02 0.01 0.01 0.00 93.57 0.49 79 A E E 19.06 12.70 26.09 39.55 133.53 -171.53 -132.94 150.82 3.15 96.84 0.00 2.95 0.12 0.00 0.00 0.00 0.00 96.88 0.04 80 C E E 3.66 25.38 18.68 44.61 126.12 -157.67 -121.13 138.95 1.64 98.36 0.00 1.49 0.05 0.00 0.00 0.00 0.00 98.44 0.01 81 R E E 73.09 10.56 27.17 38.31 120.22 -159.04 -113.03 129.62 0.42 99.58 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.58 0.02 82 V E E 5.00 24.88 17.01 42.58 123.01 -168.64 -119.73 132.67 1.53 98.47 0.00 1.49 0.02 0.00 0.00 0.00 0.00 98.39 0.10 83 N E E 65.29 7.98 25.04 33.31 121.01 -167.88 -117.15 133.53 16.82 83.17 0.01 15.30 0.73 0.03 0.00 0.00 0.00 83.60 0.33 84 H C C 24.69 19.58 12.99 32.18 128.27 159.95 -130.52 147.05 71.12 28.75 0.13 62.75 7.45 0.49 0.03 0.12 0.00 27.18 1.98 85 V C T 100.29 3.70 19.10 23.30 93.14 -121.77 -67.79 -23.94 98.69 0.82 0.49 1.25 14.69 82.81 0.02 0.52 0.00 0.57 0.13 86 T C T 70.88 7.58 15.81 24.36 95.94 51.79 -90.20 -9.26 99.34 0.33 0.33 2.02 11.54 85.75 0.01 0.38 0.00 0.23 0.06 87 L C C 29.69 18.35 7.87 25.02 122.79 81.15 -104.09 139.87 94.18 5.49 0.33 68.97 24.28 1.16 0.08 0.30 0.00 2.18 3.02 88 S C S 95.29 0.99 15.92 16.10 95.49 -149.80 -73.97 -30.03 98.36 1.59 0.05 7.88 89.35 1.49 0.01 0.04 0.00 1.00 0.24 89 Q C S 124.88 1.59 18.42 19.35 128.34 20.80 -132.65 145.63 98.51 1.47 0.02 4.12 94.14 0.63 0.00 0.01 0.00 1.00 0.10 90 P C C 60.19 14.98 11.70 26.30 116.33 -103.67 -65.03 147.43 97.07 2.92 0.01 96.34 0.88 0.05 0.00 0.01 0.00 2.63 0.09 91 K E E 75.36 11.23 17.09 29.26 122.01 -144.66 -110.05 139.17 7.67 92.32 0.01 7.13 0.37 0.03 0.00 0.01 0.00 91.49 0.97 92 I E E 85.92 10.05 18.66 29.53 120.05 -149.16 -108.43 130.83 1.19 98.81 0.00 1.12 0.03 0.00 0.00 0.00 0.00 98.79 0.06 93 V E E 23.73 17.78 15.36 33.49 125.45 -171.62 -120.65 138.86 3.97 96.02 0.00 3.83 0.08 0.01 0.00 0.00 0.00 96.01 0.07 94 K E E 108.57 6.48 22.37 29.75 122.63 -154.71 -112.33 137.69 14.29 85.68 0.04 13.75 0.41 0.05 0.01 0.02 0.00 85.12 0.63 95 W C C 36.20 21.15 11.70 32.27 113.40 -130.78 -87.44 129.77 57.22 42.33 0.44 52.89 3.01 0.62 0.12 0.32 0.00 41.22 1.82 96 D C C 60.95 7.07 16.97 25.26 115.92 -164.52 -114.15 120.14 90.91 6.39 2.70 82.94 5.45 2.58 0.35 2.56 0.00 5.17 0.95 97 R C T 145.13 6.63 12.01 20.47 94.01 -143.18 -65.57 -24.88 86.42 0.99 12.59 14.81 13.42 56.74 0.86 13.21 0.00 0.62 0.34 98 D C T 118.13 1.37 13.31 14.82 95.15 61.49 -80.11 -6.39 87.99 0.59 11.42 26.34 5.14 55.79 1.08 11.08 0.00 0.35 0.22 99 M C C 75.20 12.16 10.59 22.85 100.27 79.40 -81.68 1.96 99.10 0.15 0.75 97.86 0.76 0.73 0.15 0.37 0.00 0.08 0.05