# 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 Y C C 55.99 15.15 22.84 37.42 128.85 29.66 -127.88 147.31 79.69 20.31 0.00 78.47 0.38 0.01 0.00 0.00 0.00 21.07 0.06 1 A E E 6.25 21.73 19.69 41.56 130.22 -162.80 -129.62 145.04 3.08 96.92 0.00 3.14 0.04 0.00 0.00 0.00 0.00 96.78 0.03 2 I E E 28.43 13.65 24.50 38.98 119.26 -150.75 -110.43 127.68 0.19 99.81 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.82 0.00 3 I E E 8.44 22.45 18.23 40.99 122.01 -167.62 -116.56 132.08 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.94 0.00 4 K E E 77.82 8.62 22.29 31.62 115.22 -149.41 -101.88 124.14 0.92 99.08 0.00 0.75 0.03 0.00 0.00 0.00 0.00 99.22 0.01 5 T E E 24.41 17.79 12.23 29.78 119.39 173.06 -131.64 117.45 9.34 90.58 0.07 5.97 2.06 0.84 0.01 0.08 0.00 90.85 0.19 6 G C T 53.24 4.20 15.44 20.81 95.38 -24.04 57.44 32.85 99.28 0.47 0.25 0.45 6.34 92.56 0.00 0.28 0.00 0.33 0.04 7 G C T 64.23 1.16 14.76 15.54 96.74 -43.07 81.79 0.58 99.62 0.19 0.19 0.63 7.38 91.60 0.00 0.22 0.00 0.13 0.02 8 K E E 115.65 4.01 14.60 20.58 125.57 98.56 -111.79 143.81 8.06 91.93 0.01 6.12 1.32 0.07 0.00 0.01 0.00 92.33 0.14 9 Q E E 96.97 9.57 14.09 24.84 119.11 -131.14 -101.63 132.65 1.75 98.25 0.00 1.52 0.04 0.00 0.00 0.00 0.00 98.43 0.01 10 I E E 31.17 15.69 15.19 31.77 125.11 -169.53 -122.76 137.14 0.24 99.76 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 11 K E E 115.28 5.66 23.42 29.90 115.09 -136.00 -92.19 129.99 0.25 99.75 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.74 0.02 12 V E E 9.00 23.90 11.60 35.33 125.52 -170.71 -120.85 141.71 6.57 93.42 0.01 6.65 0.11 0.01 0.00 0.00 0.00 93.01 0.23 13 E C C 104.47 3.48 23.28 26.48 125.45 -155.11 -109.59 152.45 75.56 24.40 0.03 75.60 0.65 0.06 0.01 0.02 0.00 22.90 0.77 14 E C T 117.06 8.42 14.21 23.95 109.82 -80.39 -59.62 133.41 99.08 0.72 0.21 0.27 2.06 97.04 0.01 0.13 0.00 0.42 0.07 15 G C T 51.55 2.78 18.17 21.47 96.13 22.56 87.74 -6.43 99.63 0.27 0.09 0.41 2.28 97.02 0.00 0.07 0.00 0.21 0.01 16 Q C C 74.98 9.17 15.44 25.95 119.96 122.53 -81.26 147.56 93.89 6.07 0.04 86.30 7.25 0.15 0.01 0.03 0.00 5.81 0.44 17 T E E 71.26 9.41 18.41 28.69 119.74 -134.34 -103.32 133.86 20.20 79.77 0.03 20.48 0.28 0.03 0.01 0.01 0.00 77.62 1.57 18 V E E 16.60 20.42 15.36 35.79 124.82 -169.80 -121.97 137.16 4.58 95.39 0.03 4.30 0.19 0.02 0.01 0.01 0.00 95.32 0.14 19 Y E E 108.32 8.14 23.47 32.07 117.37 -146.94 -104.68 127.76 3.21 96.75 0.05 3.01 0.16 0.03 0.02 0.02 0.00 96.64 0.12 20 I E E 15.25 22.18 14.47 36.63 119.08 -166.84 -114.02 124.67 10.63 89.06 0.30 10.33 0.43 0.12 0.16 0.11 0.00 88.44 0.40 21 E E E 94.05 6.42 21.99 28.65 117.94 -154.33 -91.61 148.34 39.34 59.84 0.82 24.94 11.38 2.83 0.15 0.68 0.00 59.62 0.40 22 K C C 115.73 8.89 19.82 28.95 106.68 -20.95 -60.89 108.04 58.56 40.76 0.68 42.42 12.57 3.10 0.09 0.72 0.00 40.24 0.87 23 L C C 32.30 19.59 12.60 31.48 116.46 -169.37 -103.70 130.40 67.30 32.18 0.52 61.78 4.16 0.73 0.16 0.40 0.00 28.94 3.83 24 A C C 81.89 2.73 22.89 25.43 103.92 -131.91 -83.43 81.31 89.40 10.38 0.22 74.91 13.12 1.58 0.05 0.23 0.00 8.74 1.36 25 A C C 21.13 17.74 11.03 28.34 132.31 132.14 -127.69 159.23 92.26 7.66 0.09 81.53 11.05 0.39 0.02 0.07 0.00 2.14 4.80 26 E C C 126.95 1.99 21.40 22.32 119.97 -112.55 -87.26 150.96 98.59 1.29 0.11 97.10 1.31 0.28 0.03 0.05 0.00 0.55 0.68 27 A C T 65.87 9.41 12.85 23.41 109.54 -84.44 -59.01 134.07 99.55 0.27 0.18 0.32 2.16 97.20 0.01 0.11 0.00 0.14 0.06 28 G C T 51.89 2.64 17.63 20.75 95.54 22.29 87.82 -6.08 99.79 0.13 0.08 0.49 2.12 97.22 0.00 0.07 0.00 0.09 0.01 29 E C C 78.63 8.28 15.12 25.05 120.10 125.49 -78.83 149.37 95.09 4.89 0.02 91.48 3.36 0.10 0.00 0.02 0.00 4.83 0.21 30 T E E 74.18 8.63 18.31 28.12 121.29 -139.23 -107.58 137.84 7.54 92.45 0.01 7.64 0.17 0.01 0.00 0.00 0.00 91.64 0.53 31 V E E 14.42 20.82 15.02 35.90 125.86 -167.79 -122.21 139.36 0.59 99.41 0.00 0.57 0.01 0.00 0.00 0.00 0.00 99.40 0.02 32 T E E 63.53 7.74 24.37 32.60 118.93 -153.17 -109.17 130.42 0.78 99.21 0.00 0.74 0.02 0.00 0.00 0.00 0.00 99.23 0.02 33 F E E 12.64 23.54 13.47 37.10 120.30 -163.38 -109.95 131.37 5.32 94.66 0.01 5.06 0.17 0.01 0.00 0.01 0.00 94.60 0.14 34 E E E 107.58 5.16 23.54 29.05 99.64 -157.75 -87.23 -28.39 22.77 77.09 0.14 12.54 9.27 0.70 0.01 0.12 0.00 77.24 0.13 35 D E E 55.74 9.77 23.77 33.73 129.42 15.01 -136.10 139.15 20.92 78.89 0.19 13.04 6.66 0.59 0.02 0.13 0.00 79.44 0.12 36 V E E 9.07 23.96 18.28 42.29 119.39 -151.44 -106.66 129.93 4.56 95.38 0.06 4.48 0.20 0.03 0.02 0.02 0.00 95.06 0.19 37 L E E 19.42 17.81 24.40 41.89 117.34 -160.92 -105.62 130.25 1.31 98.68 0.02 1.14 0.12 0.02 0.00 0.00 0.00 98.63 0.08 38 F E E 33.56 18.43 23.49 41.30 122.01 -158.69 -111.72 131.36 1.08 98.91 0.01 0.97 0.06 0.01 0.00 0.00 0.00 98.86 0.09 39 V E E 21.81 18.14 19.40 37.53 121.66 -168.13 -119.94 130.42 7.81 92.14 0.05 6.25 1.14 0.17 0.01 0.03 0.00 92.14 0.27 40 G C E 24.62 12.07 18.22 30.45 136.10 149.41 -157.62 169.61 54.59 45.18 0.23 31.30 18.50 3.91 0.03 0.25 0.00 45.50 0.51 41 G C S 39.47 6.38 16.64 23.95 123.79 49.03 117.88 -156.13 89.05 9.96 0.99 27.14 42.63 19.23 0.08 1.14 0.00 8.86 0.91 42 D C S 121.40 1.86 16.02 18.12 99.26 -31.53 -86.43 -8.99 95.89 2.25 1.86 19.16 44.75 31.99 0.21 1.80 0.00 1.64 0.45 43 N C C 102.00 4.08 17.00 22.12 120.37 26.00 -120.13 140.07 83.77 14.97 1.26 39.52 25.13 18.91 0.18 1.22 0.00 14.24 0.79 44 V E E 48.83 17.02 11.93 28.47 120.00 -147.40 -108.86 131.05 42.93 56.68 0.39 37.82 3.20 0.68 0.11 0.23 0.00 57.13 0.82 45 K E E 102.99 7.35 20.31 28.78 123.12 -168.83 -118.63 135.10 12.67 87.08 0.25 11.27 1.05 0.23 0.15 0.11 0.00 84.85 2.33 46 V E E 59.60 14.70 14.68 29.37 121.12 -163.98 -116.11 131.67 17.47 82.14 0.39 13.99 2.80 0.91 0.22 0.24 0.00 79.69 2.15 47 G C S 34.96 6.31 19.23 25.94 123.71 22.91 100.40 -165.38 75.73 24.10 0.18 25.95 44.85 4.28 0.03 0.17 0.00 24.00 0.72 48 N C S 100.37 5.17 19.94 25.94 114.06 -32.67 -88.82 131.52 90.18 9.71 0.11 37.07 51.75 1.49 0.02 0.10 0.00 8.90 0.67 49 P C C 42.68 18.33 14.57 31.93 107.01 -125.55 -70.51 133.05 88.59 10.93 0.48 61.34 22.97 4.08 0.07 0.53 0.00 10.00 1.02 50 T C C 61.67 9.72 22.45 32.24 118.35 52.54 -105.10 129.29 55.44 43.85 0.71 42.62 9.91 2.67 0.21 0.63 0.00 30.50 13.45 51 V C C 15.32 23.10 13.38 35.93 114.92 -169.13 -111.31 115.29 54.43 44.97 0.60 46.62 5.33 1.05 0.21 0.49 0.00 37.77 8.54 52 E C T 130.78 3.36 21.50 25.77 112.84 -141.40 -78.15 132.89 67.25 32.09 0.67 13.25 17.09 38.56 0.08 0.60 0.00 28.64 1.78 53 G C T 45.83 4.24 21.14 25.72 97.48 15.91 82.89 -0.24 81.01 18.71 0.28 8.36 30.79 40.47 0.01 0.32 0.00 19.65 0.39 54 A C C 10.22 22.41 12.22 34.18 119.91 145.03 -85.72 146.48 74.40 25.56 0.04 69.22 3.03 0.14 0.00 0.03 0.00 27.29 0.28 55 T E E 53.64 8.31 26.42 35.37 122.48 -157.05 -117.60 136.93 3.23 96.77 0.00 3.13 0.11 0.00 0.00 0.00 0.00 96.59 0.15 56 V E E 4.23 26.06 16.68 43.45 124.13 -167.19 -120.53 133.82 0.23 99.77 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 57 T E E 40.25 8.87 27.46 37.33 121.27 -163.96 -114.76 132.81 0.17 99.83 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 58 A E E 4.18 25.70 15.90 41.93 129.78 -174.46 -126.71 148.40 0.29 99.71 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.00 59 K E E 86.53 6.62 27.00 34.38 122.76 -158.47 -119.86 133.24 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 60 V E E 20.52 21.72 14.12 35.93 110.03 -121.70 -78.99 122.80 0.29 99.71 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.70 0.01 61 E E E 88.41 5.79 20.78 27.43 100.16 176.18 -92.88 -35.32 6.57 93.42 0.01 3.08 2.72 0.21 0.00 0.01 0.00 93.95 0.03 62 K E E 100.56 4.19 22.60 27.39 137.97 0.48 -151.83 151.84 9.51 90.48 0.02 3.37 5.18 0.39 0.00 0.01 0.00 90.97 0.08 63 Q E E 80.00 16.29 14.12 29.51 121.98 -147.12 -111.56 133.40 18.40 81.54 0.07 15.12 2.42 0.27 0.01 0.05 0.00 81.89 0.22 64 G E E 21.99 9.35 17.75 28.04 135.01 152.24 -133.48 175.99 28.58 71.32 0.09 24.33 3.33 0.36 0.03 0.07 0.00 71.15 0.73 65 R E E 149.26 5.09 17.39 24.03 118.09 -86.39 -98.28 136.41 29.30 70.59 0.12 24.17 4.61 0.41 0.03 0.10 0.00 67.85 2.83 66 A E E 34.70 14.32 11.70 26.16 124.19 -156.38 -104.13 152.36 47.83 51.94 0.23 37.76 8.59 0.82 0.04 0.20 0.00 51.68 0.91 67 K E E 123.41 4.79 18.25 23.95 115.00 -108.05 -82.82 142.50 45.18 54.54 0.28 35.26 8.03 0.77 0.04 0.23 0.00 55.15 0.51 68 K E E 100.19 9.51 14.95 25.30 116.34 -111.78 -83.03 137.21 26.86 72.82 0.32 22.88 2.90 0.47 0.07 0.23 0.00 72.98 0.46 69 I E E 48.47 12.75 13.93 27.97 120.29 -148.60 -110.74 132.39 5.49 94.30 0.21 5.18 0.35 0.11 0.08 0.11 0.00 93.88 0.29 70 T E E 51.68 8.22 17.40 27.31 117.50 -151.58 -103.85 129.12 2.61 97.27 0.12 2.45 0.12 0.03 0.04 0.05 0.00 97.23 0.08 71 V E E 42.24 11.72 14.64 28.04 119.88 -164.15 -111.90 130.97 2.72 97.18 0.10 2.43 0.15 0.03 0.02 0.04 0.00 97.26 0.06 72 F E E 78.13 8.51 15.40 25.67 121.79 -167.08 -114.62 137.52 4.56 95.31 0.13 4.02 0.34 0.08 0.04 0.06 0.00 95.31 0.16 73 R E E 109.94 7.24 14.47 23.31 120.70 -157.80 -112.17 133.80 14.92 84.85 0.23 12.31 2.14 0.40 0.06 0.14 0.00 84.60 0.34 74 Y E E 103.95 7.62 10.87 20.32 116.69 -147.34 -101.72 132.81 40.73 58.87 0.40 31.66 8.15 1.14 0.10 0.31 0.00 57.70 0.94 75 K C C 111.00 4.05 10.55 16.40 116.62 -140.14 -97.00 137.47 74.34 23.40 2.26 50.09 18.18 5.50 0.44 1.97 0.00 22.50 1.32 76 P C T 103.87 2.60 9.11 13.12 99.84 -110.29 -64.61 -19.75 82.75 3.68 13.56 19.69 24.32 39.05 1.70 11.81 0.01 2.62 0.79 77 K C T 166.44 0.82 9.33 10.17 102.24 49.03 -85.87 9.50 80.52 4.34 15.15 22.43 22.11 36.47 1.91 13.17 0.01 2.84 1.06 78 K C T 141.19 2.21 8.71 12.30 108.99 35.06 -97.85 95.75 82.28 5.11 12.60 16.56 23.48 42.79 1.50 11.00 0.01 3.52 1.14 79 N C T 118.78 2.44 10.04 13.89 102.21 -121.28 -72.51 48.28 84.25 10.53 5.21 24.25 19.67 40.55 0.71 4.59 0.00 9.34 0.87 80 V C C 74.64 6.40 8.99 17.30 120.17 161.01 -106.28 135.78 55.66 42.17 2.17 44.18 8.10 3.06 0.59 1.71 0.01 39.88 2.48 81 H E E 117.04 5.12 11.33 18.37 120.84 -165.48 -112.95 137.31 39.07 59.69 1.24 32.54 4.37 1.95 0.32 0.85 0.00 58.75 1.21 82 K E E 113.44 6.58 12.05 20.45 121.36 -160.51 -112.99 136.29 31.24 68.08 0.69 25.91 3.84 1.16 0.17 0.48 0.00 67.85 0.58 83 K E E 108.42 8.49 12.50 22.34 120.90 -156.83 -110.44 136.34 25.12 74.21 0.67 19.97 3.66 1.09 0.16 0.45 0.00 74.19 0.48 84 Q E E 106.89 5.75 15.05 22.49 123.08 -164.97 -114.41 138.97 19.40 80.17 0.43 14.69 3.52 0.93 0.10 0.29 0.00 80.00 0.47 85 G E E 27.96 10.78 13.04 24.49 131.60 126.11 -131.42 172.60 16.48 83.28 0.23 13.26 2.68 0.40 0.07 0.16 0.00 82.94 0.48 86 H E E 100.60 7.44 16.51 25.15 124.57 -116.85 -117.53 143.20 14.31 85.57 0.11 13.03 1.03 0.17 0.04 0.08 0.00 83.49 2.16 87 R E E 110.91 11.20 14.46 26.28 118.65 -133.08 -96.07 136.14 39.07 60.86 0.08 35.11 3.33 0.26 0.02 0.07 0.00 58.61 2.60 88 Q C C 71.35 11.14 15.77 27.74 117.17 -134.12 -94.05 135.39 74.40 25.58 0.02 70.04 3.62 0.13 0.00 0.02 0.00 25.72 0.48 89 P C C 62.98 9.95 17.72 28.30 107.48 -116.09 -69.40 141.29 72.79 27.16 0.05 61.88 8.69 0.40 0.00 0.06 0.00 28.59 0.38 90 Y E E 69.82 13.53 17.83 31.55 131.72 97.33 -129.02 153.12 19.85 80.10 0.04 17.06 2.33 0.20 0.00 0.04 0.00 79.68 0.68 91 T E E 25.05 16.99 17.81 35.19 123.34 -138.63 -110.43 139.03 5.22 94.77 0.00 4.88 0.19 0.01 0.00 0.00 0.00 94.78 0.14 92 K E E 72.05 11.54 23.07 34.78 123.23 -155.10 -115.56 136.31 2.13 97.87 0.00 1.87 0.12 0.00 0.00 0.00 0.00 97.98 0.03 93 V E E 12.82 22.61 17.36 40.02 119.65 -155.06 -110.52 128.70 1.37 98.63 0.00 1.27 0.03 0.00 0.00 0.00 0.00 98.69 0.01 94 T E E 43.47 8.54 25.00 34.25 118.93 -160.71 -110.93 128.36 0.73 99.27 0.00 0.68 0.01 0.00 0.00 0.00 0.00 99.30 0.01 95 I E E 19.07 21.63 13.29 34.99 111.96 -142.16 -92.82 120.84 1.01 98.99 0.00 0.97 0.02 0.00 0.00 0.00 0.00 98.98 0.03 96 E E E 102.51 4.55 20.73 25.82 100.52 177.43 -93.26 -34.24 6.20 93.77 0.03 3.86 1.62 0.14 0.00 0.02 0.00 94.33 0.03 97 K E E 107.42 3.73 22.47 26.65 136.87 0.17 -152.26 151.28 6.02 93.93 0.05 4.33 1.05 0.17 0.00 0.04 0.00 94.37 0.04 98 I E E 40.93 20.92 10.64 30.22 120.04 -151.67 -117.13 126.38 7.26 92.72 0.03 6.72 0.38 0.05 0.01 0.02 0.00 92.23 0.60 99 N E E 87.37 4.75 18.20 23.72 120.69 -168.84 -114.54 134.61 30.10 69.84 0.06 28.56 0.80 0.19 0.02 0.04 0.00 69.45 0.94 100 A C C 67.91 8.32 14.16 23.22 107.03 -124.61 -79.16 111.35 99.59 0.41 0.00 99.56 0.10 0.01 0.00 0.00 0.00 0.32 0.01