# 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 116.58 5.55 14.75 21.60 116.58 -155.26 -97.66 126.78 99.27 0.73 0.01 99.38 0.08 0.02 0.00 0.00 0.00 0.50 0.03 1 V C C 62.55 11.16 10.25 22.23 122.19 -170.36 -110.41 136.31 64.55 35.29 0.17 63.98 0.59 0.40 0.06 0.08 0.00 32.18 2.71 2 N C C 112.70 2.62 16.03 19.47 112.34 -140.53 -96.12 120.68 53.50 46.29 0.22 43.67 7.25 1.41 0.06 0.21 0.00 42.32 5.08 3 I C C 55.96 14.71 9.91 24.65 119.31 -166.34 -108.06 131.06 64.92 35.04 0.04 56.64 8.40 0.17 0.01 0.04 0.00 32.70 2.04 4 P C C 50.07 7.74 13.55 23.32 114.51 -109.71 -65.23 149.19 77.74 21.98 0.28 75.74 1.78 0.47 0.06 0.19 0.00 20.40 1.36 5 K C S 151.69 2.98 14.04 18.63 94.48 -133.66 -71.17 -25.77 90.68 8.93 0.39 11.55 66.06 12.63 0.03 0.38 0.00 8.76 0.60 6 T C E 84.30 3.61 16.11 20.73 126.24 33.52 -127.35 145.28 64.82 34.59 0.59 22.51 30.08 13.21 0.05 0.66 0.00 32.56 0.92 7 R E E 96.65 11.70 12.51 24.86 127.87 -173.24 -127.93 144.30 48.53 51.29 0.18 42.41 4.71 0.40 0.03 0.18 0.00 51.45 0.83 8 N E E 81.02 7.67 16.06 24.89 117.11 -133.75 -92.71 139.65 17.40 82.59 0.02 16.93 0.45 0.02 0.00 0.01 0.00 82.16 0.41 9 T E E 43.79 11.42 14.49 27.21 128.64 -173.48 -126.38 150.62 2.58 97.42 0.00 2.28 0.15 0.00 0.00 0.00 0.00 97.49 0.08 10 F E E 100.24 6.65 15.46 23.70 117.10 -127.95 -100.89 131.37 1.87 98.12 0.00 1.81 0.10 0.00 0.00 0.00 0.00 97.68 0.41 11 C E E 23.63 12.15 9.43 23.49 109.61 -138.04 -89.54 116.92 30.24 69.73 0.04 29.39 0.62 0.07 0.01 0.03 0.00 69.14 0.75 12 K C T 148.82 2.04 13.30 16.49 93.95 -162.60 -68.64 -28.73 97.90 0.23 1.88 0.43 3.31 94.02 0.03 2.01 0.00 0.16 0.04 13 K C T 158.25 1.03 12.74 13.45 96.01 49.82 -73.86 -37.90 97.53 0.12 2.34 0.21 2.35 94.88 0.04 2.43 0.00 0.06 0.03 14 C C T 72.53 4.04 10.45 16.15 101.18 24.78 -102.91 -6.04 98.27 0.09 1.65 0.48 2.74 94.88 0.03 1.81 0.00 0.04 0.02 15 K C T 159.74 1.88 12.73 15.86 95.15 -125.99 59.93 29.58 99.20 0.47 0.33 22.70 4.92 71.66 0.05 0.23 0.00 0.39 0.06 16 G E E 31.17 4.26 14.81 20.47 135.09 109.59 -129.40 174.04 27.73 72.25 0.02 24.30 2.22 0.38 0.00 0.02 0.00 72.45 0.63 17 Y E E 112.61 10.99 11.74 23.54 123.97 -102.61 -107.96 145.13 1.91 98.08 0.00 1.74 0.10 0.01 0.00 0.00 0.00 97.91 0.23 18 S E E 47.29 6.52 16.91 24.95 130.30 -172.52 -134.23 153.18 4.53 95.46 0.01 4.11 0.25 0.02 0.00 0.00 0.00 95.50 0.13 19 A E E 62.29 8.47 15.80 25.28 114.90 -105.30 -72.69 141.26 13.40 86.57 0.04 12.09 0.93 0.09 0.01 0.02 0.00 86.44 0.41 20 H E E 51.44 14.30 13.00 27.91 126.94 -164.37 -119.92 147.18 35.48 64.42 0.10 31.05 3.10 0.25 0.02 0.07 0.00 64.99 0.53 21 K E E 132.32 3.62 20.22 24.62 116.21 -126.16 -94.13 134.47 29.51 70.39 0.10 27.28 1.44 0.14 0.04 0.06 0.00 68.56 2.47 22 V E E 36.97 18.62 10.39 28.18 116.13 -140.98 -93.27 129.59 32.58 67.20 0.22 31.14 1.08 0.16 0.11 0.11 0.00 64.67 2.74 23 S E E 62.65 4.73 18.06 23.43 111.89 -167.81 -99.85 116.26 45.64 53.97 0.39 30.55 13.91 0.87 0.11 0.28 0.00 53.60 0.69 24 Q E E 109.60 4.40 17.85 23.19 120.57 -31.36 -113.97 140.37 24.80 74.48 0.73 19.59 4.63 0.88 0.26 0.46 0.00 72.19 1.99 25 A E E 43.14 15.77 10.48 25.55 121.17 -151.68 -100.90 138.73 25.78 73.49 0.73 22.92 2.05 0.45 0.43 0.39 0.00 69.30 4.45 26 K C C 108.75 5.76 16.24 23.22 122.15 -143.80 -103.61 144.78 56.95 41.98 1.07 46.50 8.67 1.69 0.41 0.75 0.00 39.08 2.90 27 K C C 131.74 5.00 14.49 21.16 113.88 -108.59 -76.31 141.10 80.76 16.41 2.83 56.86 19.07 4.77 0.82 2.16 0.00 13.54 2.78 28 S C C 47.62 10.62 9.62 20.96 115.41 -122.17 -83.28 150.16 84.69 5.62 9.69 56.17 15.74 11.87 1.58 9.08 0.00 3.34 2.21 29 K C T 144.41 3.19 12.88 17.28 99.84 -118.12 -78.86 -11.56 86.29 2.23 11.48 23.21 22.44 40.46 1.36 10.38 0.00 1.18 0.96 30 D C T 114.10 2.19 13.11 16.09 100.71 40.22 -87.47 1.51 86.66 1.72 11.62 24.04 24.00 38.48 1.52 10.30 0.00 0.84 0.83 31 N C C 58.60 8.00 9.26 19.04 119.38 89.80 -106.10 139.05 94.06 2.35 3.59 50.74 40.96 2.17 2.29 1.11 0.00 0.64 2.09 32 P C T 97.00 3.74 12.44 17.77 93.30 -132.48 -63.44 -26.26 55.96 0.65 43.40 7.87 7.53 38.60 22.22 22.90 0.05 0.33 0.49 33 R C T 148.86 3.70 13.67 18.51 95.80 58.28 -81.92 -10.06 53.29 1.42 45.29 7.93 7.68 35.33 24.67 22.59 0.15 0.77 0.89 34 A C H 39.02 9.74 11.22 22.35 104.87 86.00 -76.38 77.03 48.87 3.29 47.85 19.74 12.35 17.52 25.49 21.51 0.14 1.65 1.60 35 Q C H 100.99 6.30 15.02 22.20 101.43 65.19 -81.03 -6.39 58.83 3.03 38.14 19.38 13.50 26.74 27.76 9.27 0.25 1.62 1.47 36 G C T 32.16 8.57 14.09 23.62 105.35 53.05 -43.77 -43.73 65.67 3.06 31.27 23.56 15.97 27.13 22.77 7.49 0.11 1.65 1.33 37 N C H 89.38 6.74 15.06 22.55 104.22 29.19 -81.58 12.26 51.55 4.68 43.77 30.04 11.24 11.61 34.06 8.58 0.05 2.97 1.43 38 R H H 121.06 7.50 13.67 22.14 108.83 71.41 -84.04 103.55 37.01 8.27 54.72 21.67 8.10 9.46 42.41 10.20 0.18 6.25 1.74 39 R H H 127.62 6.24 14.77 21.91 104.59 63.54 -81.84 -5.57 30.96 12.55 56.49 17.92 6.47 8.65 43.92 10.60 0.18 10.38 1.88 40 Y H H 101.86 8.70 12.91 22.64 107.92 57.53 -92.27 85.39 29.98 14.30 55.72 17.52 6.65 8.21 44.56 9.03 0.23 11.55 2.25 41 A H H 52.91 7.28 12.66 21.36 106.12 61.56 -82.40 85.06 38.29 10.37 51.35 23.38 7.72 8.88 42.44 7.25 0.10 8.60 1.62 42 R C H 140.15 4.94 12.53 18.85 105.62 63.32 -83.57 42.93 45.63 9.09 45.29 26.28 9.07 11.44 36.46 7.73 0.09 7.22 1.72 43 K C C 133.35 3.62 12.22 17.20 106.25 56.82 -85.54 69.90 53.02 10.50 36.49 32.58 9.13 11.67 29.45 6.89 0.08 7.70 2.48 44 Q C C 102.40 6.41 9.54 17.37 109.35 68.92 -90.29 97.58 63.66 12.30 24.05 42.93 10.09 10.16 19.71 4.95 0.07 7.92 4.17 45 R C C 165.59 2.60 11.20 15.16 110.90 -153.36 -93.60 110.76 74.93 9.73 15.34 41.93 15.83 17.18 11.54 4.10 0.07 5.89 3.48 46 G C C 47.86 3.35 10.18 15.12 119.80 43.44 88.65 174.96 85.62 5.36 9.02 36.57 24.13 25.89 3.32 5.08 0.02 3.03 1.97 47 Y C T 167.15 3.03 9.24 13.66 108.30 -54.83 -89.61 105.63 78.58 6.65 14.78 24.63 20.92 34.16 3.67 9.97 0.06 3.40 3.18 48 G C T 59.60 1.74 10.97 13.46 103.90 7.60 68.73 7.32 84.80 2.60 12.60 15.25 20.61 48.81 1.99 10.60 0.01 1.56 1.17 49 G C C 53.06 3.33 10.34 15.14 107.50 -44.12 78.19 13.17 85.67 4.43 9.89 30.38 27.43 28.15 1.45 8.48 0.01 2.52 1.59 50 Q C C 112.93 4.39 9.75 15.84 115.02 134.12 -89.50 132.72 84.55 11.72 3.73 57.41 20.95 5.76 1.27 2.63 0.01 6.42 5.55 51 T C C 95.29 3.90 10.70 16.22 110.53 -159.76 -93.79 80.00 82.92 15.13 1.95 60.44 18.95 3.00 0.94 1.19 0.00 9.45 6.03 52 K C C 125.54 4.35 11.18 17.19 118.68 -133.24 -100.62 134.77 86.34 12.85 0.81 68.48 17.14 0.88 0.59 0.35 0.00 10.17 2.40 53 P C C 84.26 5.48 10.91 18.17 113.46 -110.08 -68.27 145.77 77.69 19.68 2.63 71.44 4.28 1.59 1.76 0.97 0.00 12.86 7.09 54 I C C 104.40 5.99 9.87 17.48 114.01 -136.93 -93.50 131.61 76.64 14.78 8.57 53.96 18.28 4.34 6.15 2.75 0.01 10.05 4.45 55 L C C 106.06 4.94 9.89 16.51 116.53 -145.33 -97.71 134.47 67.82 19.97 12.21 47.75 15.08 4.87 8.47 4.21 0.03 13.99 5.60 56 R C C 155.91 3.66 10.16 15.78 114.92 -155.37 -99.69 131.56 70.91 14.86 14.24 57.34 8.57 4.66 9.90 4.68 0.01 11.67 3.18 57 R C C 153.63 3.96 9.95 15.75 114.73 -144.54 -94.37 137.13 68.95 10.62 20.43 49.05 12.01 7.76 14.36 6.25 0.02 7.74 2.82 58 K C C 141.49 3.45 10.94 16.14 113.19 -130.97 -88.30 131.74 67.49 7.68 24.84 44.97 13.30 9.35 16.76 8.13 0.04 5.01 2.45 59 A C C 64.56 6.67 9.61 17.75 113.76 -126.17 -86.19 139.42 67.12 6.16 26.73 44.93 12.69 9.63 16.65 10.18 0.03 3.87 2.02 60 K C C 135.00 4.11 12.32 17.97 111.16 -136.52 -88.25 127.67 69.19 7.79 23.02 46.77 12.24 10.06 14.07 9.17 0.03 5.02 2.64 61 V C C 90.43 6.76 11.73 19.71 110.13 -161.34 -95.10 108.91 72.14 9.73 18.13 44.10 16.00 12.13 11.50 6.70 0.07 6.00 3.50 62 T C C 75.13 7.01 12.80 20.99 111.51 -154.21 -98.00 122.33 79.30 10.57 10.13 48.80 18.84 11.97 5.94 4.13 0.03 6.85 3.43 63 K C C 116.50 6.83 14.95 22.86 112.97 -151.88 -93.66 123.96 85.89 12.09 2.02 50.93 30.86 4.88 0.77 1.19 0.00 9.56 1.81 64 K C C 92.82 9.97 16.40 26.89 122.78 -151.97 -107.23 142.93 70.29 29.16 0.55 52.36 15.20 1.79 0.13 0.41 0.00 28.97 1.15 65 L E E 34.85 15.43 16.15 32.28 118.13 -139.11 -100.70 132.35 20.04 79.91 0.05 18.76 0.98 0.09 0.01 0.03 0.00 79.40 0.71 66 V E E 35.81 11.79 20.59 33.66 120.31 -158.29 -112.23 131.07 5.36 94.63 0.00 5.06 0.19 0.01 0.00 0.00 0.00 94.64 0.10 67 L E E 16.52 19.52 17.88 37.88 119.59 -157.23 -107.91 133.05 0.98 99.02 0.00 0.89 0.03 0.00 0.00 0.00 0.00 99.07 0.01 68 N E E 44.15 11.08 23.13 34.96 118.68 -158.44 -108.91 129.88 0.61 99.39 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.46 0.00 69 L E E 15.05 20.57 17.16 37.90 123.75 -162.96 -115.61 135.78 0.65 99.35 0.00 0.55 0.03 0.00 0.00 0.00 0.00 99.41 0.01 70 E E E 67.78 7.93 21.89 30.81 116.99 -147.31 -106.74 128.04 1.72 98.28 0.00 1.63 0.10 0.01 0.00 0.00 0.00 98.12 0.13 71 C E E 12.12 17.30 11.38 30.03 109.46 -132.44 -82.43 120.72 29.45 70.50 0.05 27.84 1.08 0.11 0.01 0.04 0.00 70.32 0.60 72 T C T 83.01 4.23 16.51 22.02 94.59 -160.27 -72.16 -28.38 98.21 0.97 0.82 1.61 14.28 82.32 0.03 0.84 0.00 0.75 0.16 73 K C T 139.97 2.21 15.12 17.76 98.10 47.29 -77.16 -40.61 98.82 0.23 0.95 0.59 8.97 89.31 0.04 0.89 0.00 0.13 0.08 74 C C T 62.91 5.73 12.29 19.60 101.25 22.79 -105.19 -6.71 98.80 0.47 0.72 3.26 10.97 84.51 0.04 0.81 0.00 0.32 0.10 75 K C C 150.21 2.99 13.89 18.53 94.80 -127.03 61.83 27.61 93.10 6.33 0.56 54.49 8.01 30.54 0.09 0.50 0.00 5.60 0.78 76 F C C 93.15 6.13 13.66 21.64 124.17 136.01 -105.96 149.25 56.26 43.65 0.09 52.97 2.11 0.34 0.02 0.06 0.00 43.85 0.66 77 S E E 58.15 11.24 13.05 24.97 123.62 -151.39 -114.83 142.56 6.45 93.50 0.05 5.83 0.42 0.06 0.01 0.03 0.00 93.38 0.26 78 H E E 83.86 7.71 17.77 26.94 132.24 174.44 -137.19 149.79 1.84 98.11 0.05 1.70 0.14 0.04 0.01 0.03 0.00 97.98 0.11 79 Q E E 89.90 12.50 14.85 27.61 120.58 -135.90 -105.73 133.85 7.97 91.94 0.09 7.20 0.66 0.12 0.02 0.07 0.00 91.68 0.25 80 K E E 71.24 10.27 16.74 28.25 125.49 -173.41 -125.83 138.10 40.25 59.66 0.09 37.40 1.59 0.11 0.02 0.06 0.00 60.57 0.25 81 P E E 79.42 6.35 19.21 26.28 114.04 -109.54 -68.74 142.20 41.69 57.96 0.35 38.58 1.95 0.31 0.15 0.21 0.00 57.23 1.56 82 L C C 28.69 20.55 11.23 30.87 121.16 -155.65 -109.30 140.37 63.61 35.25 1.13 59.27 3.24 0.70 0.45 0.67 0.00 32.76 2.90 83 K C C 124.87 3.93 21.16 25.51 117.54 -132.83 -87.39 147.08 67.88 30.48 1.64 46.52 19.87 2.55 0.46 1.14 0.00 28.11 1.35 84 R C C 121.11 9.30 17.40 27.15 115.54 -91.86 -76.15 138.59 55.66 41.50 2.84 42.50 11.61 2.81 1.04 1.87 0.02 35.85 4.30 85 A E E 24.47 17.59 11.12 28.43 121.20 -149.33 -105.21 142.95 46.82 50.74 2.45 43.39 2.50 0.86 1.06 1.38 0.00 45.55 5.26 86 K C E 131.49 3.72 18.12 22.74 98.34 -163.11 -84.93 -30.70 58.65 39.50 1.85 19.59 36.26 4.05 0.48 1.12 0.01 37.50 0.99 87 H E E 98.65 5.68 19.15 25.90 133.98 5.88 -145.89 145.10 41.26 57.09 1.65 21.41 17.96 3.05 0.38 1.04 0.00 55.40 0.76 88 V E E 43.17 17.27 12.72 29.68 122.94 -161.88 -119.87 131.18 33.72 64.74 1.54 31.68 1.70 0.43 0.80 0.68 0.00 63.17 1.54 89 I E E 76.96 6.80 18.03 26.13 117.09 -157.14 -108.81 124.25 33.81 65.19 0.99 32.06 1.32 0.47 0.63 0.45 0.00 62.31 2.76 90 F E E 94.71 11.15 12.91 24.83 116.95 -159.42 -100.60 132.87 47.44 50.09 2.47 30.50 9.87 9.06 0.78 1.66 0.01 46.19 1.92 91 G C C 45.69 4.79 15.01 20.73 109.93 16.96 91.99 -36.34 76.63 19.81 3.57 29.95 26.64 21.11 0.85 2.45 0.01 17.51 1.48 92 G C S 42.01 5.69 12.71 19.67 117.12 27.34 102.01 -171.02 78.55 9.56 11.89 29.69 34.14 15.86 5.71 5.47 0.05 7.13 1.94 93 E C C 125.57 4.30 12.16 17.89 111.62 -43.97 -86.90 127.75 67.13 10.49 22.38 39.07 17.21 11.42 13.09 9.05 0.06 7.67 2.43 94 R C C 149.64 4.51 10.98 17.16 109.19 -146.62 -88.49 109.48 59.89 11.86 28.25 38.42 12.78 8.97 18.01 10.29 0.08 9.00 2.46 95 K C C 133.88 4.02 10.97 16.66 109.41 -143.43 -86.85 127.97 61.35 11.17 27.47 43.73 9.86 7.51 18.33 9.52 0.03 8.68 2.34 96 R C C 149.50 3.99 10.35 16.01 112.62 -143.35 -94.16 123.99 64.91 9.02 26.07 46.48 9.73 8.33 17.75 8.69 0.03 6.56 2.44 97 K C T 148.13 2.95 10.00 14.63 112.02 -126.89 -79.02 132.84 67.17 5.02 27.80 22.44 11.23 33.59 17.50 10.06 0.11 3.32 1.75 98 G C T 53.10 3.23 10.66 15.33 105.64 17.11 83.42 -1.39 72.60 2.31 25.09 18.84 13.59 40.42 13.69 11.02 0.05 1.45 0.93 99 E C C 132.14 3.05 10.21 14.86 113.30 90.55 -85.91 134.51 70.33 6.29 23.39 42.19 14.50 13.73 10.94 12.55 0.03 4.16 1.89 100 A C C 78.09 3.77 9.24 14.70 108.98 -115.42 -84.93 124.29 67.32 13.92 18.76 38.18 16.50 13.58 8.74 9.73 0.08 10.59 2.58 101 L C C 106.00 5.64 7.93 15.01 114.07 -141.92 -93.20 127.79 65.29 21.09 13.62 43.87 11.99 10.06 5.57 7.70 0.03 18.08 2.70 102 V C C 110.85 2.74 9.41 13.93 115.98 -159.41 -104.26 131.75 71.11 22.48 6.41 62.45 2.88 5.03 3.45 2.62 0.00 18.95 4.62 103 Y C C 147.60 5.40 10.50 17.51 115.10 -154.48 -99.85 129.94 99.30 0.67 0.03 99.25 0.13 0.06 0.01 0.00 0.00 0.49 0.04