# 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 106.57 5.65 11.55 18.52 109.80 61.39 -84.20 118.19 99.79 0.05 0.16 99.67 0.09 0.09 0.12 0.01 0.00 0.02 0.01 1 K C C 131.31 2.99 10.52 14.92 104.99 -140.78 -79.98 41.94 63.11 0.59 36.30 58.11 0.84 3.79 35.73 1.05 0.00 0.24 0.24 2 K H H 128.01 2.69 10.90 14.77 101.01 56.49 -73.59 -31.53 39.37 0.53 60.11 30.50 3.82 4.43 59.39 1.44 0.00 0.22 0.18 3 I H H 92.10 4.80 10.67 17.08 94.94 54.73 -66.86 -38.53 16.77 0.32 82.92 12.41 2.15 2.86 80.76 1.57 0.00 0.16 0.09 4 K H H 120.48 2.25 13.68 16.38 93.13 51.33 -66.57 -39.95 9.94 0.21 89.86 7.10 1.32 2.07 88.02 1.31 0.00 0.11 0.06 5 E H H 100.34 2.39 14.67 17.40 92.88 50.20 -65.77 -40.55 5.70 0.09 94.21 3.68 0.79 1.50 93.13 0.83 0.00 0.05 0.03 6 A H H 40.88 5.77 13.30 20.98 92.20 51.29 -64.56 -41.21 3.02 0.03 96.95 1.52 0.41 1.09 96.47 0.48 0.00 0.01 0.01 7 E H H 94.16 4.37 15.43 20.99 92.29 49.84 -65.34 -40.33 2.30 0.02 97.68 1.03 0.30 0.91 97.42 0.33 0.00 0.01 0.01 8 Q H H 96.49 2.33 16.79 18.99 92.19 50.36 -64.73 -41.10 1.64 0.01 98.35 0.62 0.19 0.69 98.29 0.21 0.00 0.00 0.00 9 R H H 119.16 3.32 16.95 20.69 91.88 49.92 -64.93 -41.00 1.36 0.01 98.63 0.46 0.15 0.60 98.62 0.17 0.00 0.00 0.00 10 K H H 79.56 7.82 15.23 24.40 92.07 50.31 -64.91 -41.03 1.31 0.01 98.68 0.41 0.13 0.61 98.69 0.16 0.00 0.00 0.00 11 L H H 79.32 4.08 16.89 21.83 91.96 50.43 -64.29 -41.36 1.35 0.01 98.64 0.39 0.13 0.65 98.66 0.16 0.00 0.00 0.00 12 R H H 131.70 2.06 18.70 19.99 91.95 49.97 -64.47 -41.39 1.55 0.01 98.44 0.41 0.15 0.79 98.47 0.17 0.00 0.00 0.00 13 R H H 94.18 7.15 16.70 24.92 92.13 49.77 -64.91 -40.85 2.00 0.01 97.99 0.50 0.19 1.08 98.00 0.21 0.00 0.00 0.00 14 K H H 81.20 10.27 15.91 26.87 91.94 50.98 -64.15 -40.37 2.17 0.01 97.81 0.59 0.21 1.14 97.78 0.27 0.00 0.00 0.00 15 K H H 114.05 2.87 18.67 21.44 92.02 50.64 -64.69 -40.37 2.33 0.02 97.65 0.67 0.27 1.21 97.45 0.37 0.00 0.01 0.01 16 R H H 120.57 2.96 18.82 21.62 92.24 50.12 -65.25 -40.93 3.31 0.04 96.65 0.98 0.40 1.79 96.16 0.64 0.01 0.02 0.01 17 I H H 41.13 12.69 14.94 28.53 92.72 49.74 -65.55 -41.19 4.04 0.05 95.90 1.29 0.55 2.12 95.03 0.95 0.01 0.02 0.02 18 K H H 89.30 10.67 15.45 26.57 92.44 53.16 -65.03 -36.30 6.70 0.07 93.23 1.96 0.87 3.77 91.71 1.62 0.01 0.03 0.03 19 D H H 102.59 2.20 17.97 20.14 93.08 51.66 -68.72 -31.62 18.43 0.11 81.47 3.24 1.91 12.86 79.40 2.46 0.02 0.05 0.05 20 K H H 120.03 4.94 17.12 22.75 96.17 50.25 -79.59 -24.58 31.48 0.32 68.20 8.01 4.31 19.62 64.92 2.79 0.03 0.13 0.18 21 I C H 52.08 15.57 11.95 26.97 104.31 60.52 -84.67 -0.54 59.06 0.89 40.05 33.81 9.63 15.63 36.60 3.47 0.01 0.35 0.50 22 G C C 41.00 6.90 16.19 23.94 112.65 -92.47 24.09 -32.11 81.06 0.84 18.09 53.95 7.37 18.71 15.01 4.05 0.00 0.40 0.51 23 R C C 162.91 3.40 15.81 20.38 107.67 -6.09 -88.29 77.80 83.68 1.45 14.87 38.33 17.18 28.75 8.59 5.63 0.01 0.64 0.87 24 G C C 38.18 9.80 13.44 23.69 114.02 31.29 83.25 153.82 92.33 1.31 6.36 43.95 23.22 25.55 1.75 4.21 0.00 0.63 0.69 25 V C C 70.16 8.09 15.20 24.32 114.82 -130.09 -100.27 143.75 89.77 4.27 5.96 65.43 16.72 6.62 2.13 3.87 0.00 1.65 3.58 26 A C T 62.92 9.49 14.62 24.64 99.03 -123.58 -68.32 -24.29 93.03 1.52 5.45 17.29 27.20 48.54 0.72 4.74 0.00 0.84 0.66 27 S C T 75.16 4.45 18.98 24.06 97.02 57.23 -84.18 -12.08 94.04 1.45 4.51 15.06 31.28 47.48 0.39 4.45 0.00 0.90 0.44 28 R C S 89.85 12.10 18.92 31.04 115.34 47.18 -117.35 111.42 96.25 3.43 0.32 39.38 56.73 0.80 0.05 0.23 0.00 2.03 0.77 29 P C C 13.97 21.16 17.56 38.81 116.18 -133.13 -68.78 147.10 92.12 7.82 0.06 90.08 1.99 0.18 0.01 0.04 0.00 7.32 0.36 30 R E E 63.22 14.46 25.92 40.01 123.11 -144.16 -113.20 137.49 14.09 85.89 0.02 13.16 0.71 0.03 0.01 0.01 0.00 84.70 1.39 31 I E E 4.70 26.15 20.19 46.70 122.13 -160.66 -115.98 132.28 2.59 97.41 0.00 2.44 0.07 0.00 0.00 0.00 0.00 97.45 0.04 32 T E E 24.09 13.72 27.66 41.90 121.71 -166.54 -118.42 132.09 0.46 99.54 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.55 0.01 33 V E E 8.20 24.72 20.10 44.81 120.39 -164.93 -115.39 127.12 0.22 99.78 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.79 0.00 34 F E E 56.59 11.79 26.36 38.35 127.51 -173.95 -126.05 140.09 0.22 99.78 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.79 0.00 35 K E E 68.56 17.61 18.72 35.15 120.60 -153.73 -110.57 130.87 3.20 96.80 0.00 2.87 0.16 0.01 0.00 0.00 0.00 96.87 0.09 36 S C C 29.62 9.84 18.91 29.71 131.12 169.91 -124.05 -175.15 80.29 19.68 0.03 78.18 1.12 0.09 0.00 0.02 0.00 20.29 0.30 37 N C S 104.85 5.96 17.67 24.62 92.30 -88.72 -65.64 -26.26 99.68 0.21 0.11 1.86 81.05 16.84 0.01 0.08 0.00 0.14 0.03 38 R C S 130.36 6.16 17.69 24.45 104.52 24.47 -110.34 -17.14 99.55 0.34 0.11 1.39 82.70 15.55 0.00 0.08 0.00 0.24 0.04 39 Y E E 70.65 10.70 20.52 31.86 141.62 16.94 -154.44 157.42 30.39 69.59 0.02 24.67 4.27 0.14 0.00 0.02 0.00 70.60 0.29 40 F E E 11.33 23.45 17.53 41.44 120.93 -136.61 -113.41 131.55 0.76 99.24 0.00 0.72 0.01 0.00 0.00 0.00 0.00 99.26 0.01 41 Y E E 38.51 14.15 26.96 41.46 125.36 -170.23 -122.29 139.28 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 42 A E E 1.90 26.35 21.11 47.94 126.51 -169.34 -125.22 138.98 0.05 99.95 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 43 Q E E 26.29 16.86 28.49 45.05 126.89 -170.90 -124.90 138.81 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 44 V E E 4.12 24.34 24.03 48.38 117.64 -152.52 -107.49 126.23 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 45 I E E 14.22 18.30 22.65 41.23 125.02 -169.36 -119.96 136.48 0.31 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.69 0.03 46 D E E 28.59 11.64 21.40 34.61 107.79 -130.24 -83.90 116.47 14.96 85.03 0.01 14.42 0.28 0.02 0.00 0.00 0.00 84.99 0.28 47 D C T 36.59 18.42 15.04 33.58 93.49 -159.27 -71.45 -22.85 99.28 0.13 0.59 0.26 2.71 96.51 0.02 0.41 0.00 0.07 0.03 48 S C T 75.45 3.78 17.74 22.47 97.04 51.13 -77.25 -37.73 99.29 0.07 0.64 0.15 2.32 96.99 0.01 0.48 0.00 0.03 0.02 49 K C T 132.92 2.16 17.12 18.79 99.15 23.92 -101.17 -10.77 99.52 0.05 0.43 0.32 2.21 97.08 0.01 0.34 0.00 0.02 0.01 50 G C C 36.18 10.20 13.34 24.55 95.65 -122.62 74.26 13.07 99.15 0.50 0.35 57.45 6.82 34.91 0.07 0.24 0.00 0.39 0.11 51 H C C 92.96 6.51 20.79 28.30 119.63 137.44 -94.77 139.86 60.08 39.86 0.07 54.58 5.22 0.21 0.02 0.05 0.00 35.02 4.90 52 T E E 42.05 18.07 17.61 35.02 111.21 -120.58 -78.58 125.12 0.78 99.22 0.00 0.77 0.02 0.00 0.00 0.00 0.00 98.95 0.26 53 I E E 23.55 18.79 22.58 41.04 100.01 177.21 -95.48 -29.47 1.72 98.28 0.00 0.78 0.77 0.01 0.00 0.00 0.00 98.43 0.01 54 A E E 4.85 22.17 22.83 45.06 142.38 2.23 -155.93 151.75 0.13 99.87 0.00 0.09 0.01 0.00 0.00 0.00 0.00 99.90 0.00 55 S E E 29.03 19.61 24.79 42.53 135.65 -173.74 -143.04 147.02 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 56 I E E 11.38 22.61 22.68 44.59 132.72 -173.17 -136.39 144.83 0.60 99.40 0.00 0.59 0.01 0.00 0.00 0.00 0.00 99.37 0.02 57 S E E 20.99 15.53 23.53 38.84 133.06 -173.66 -131.80 153.15 10.92 89.03 0.05 10.08 0.64 0.07 0.01 0.03 0.00 88.72 0.44 58 T C S 32.58 18.15 17.92 35.58 97.92 -140.22 -81.44 -10.88 77.40 13.71 8.89 24.69 32.87 21.36 1.56 6.54 0.02 11.74 1.23 59 I C S 83.75 9.45 20.17 29.80 95.96 68.92 -83.81 -6.64 84.70 2.92 12.38 26.89 30.47 28.20 3.58 8.11 0.01 1.60 1.13 60 E C C 73.84 13.35 14.26 27.58 107.18 96.46 -75.21 124.31 69.01 1.43 29.56 38.62 18.30 12.11 9.29 20.12 0.00 0.64 0.93 61 K C G 141.41 4.18 16.33 21.96 95.93 -141.52 -69.84 -27.30 54.28 0.54 45.19 13.61 9.91 30.14 10.04 35.69 0.01 0.27 0.34 62 S C G 69.34 5.28 17.88 24.07 95.93 58.16 -77.57 -7.74 54.57 0.65 44.78 17.71 7.84 28.40 9.25 36.12 0.00 0.34 0.34 63 L C C 30.98 20.35 11.09 30.13 99.93 69.82 -84.65 0.21 67.55 1.26 31.20 45.76 11.53 9.69 8.22 23.49 0.00 0.60 0.69 64 N C C 111.87 4.02 20.80 25.47 101.53 -145.31 -74.03 72.98 91.72 0.99 7.29 79.37 5.70 6.97 3.15 3.71 0.00 0.49 0.62 65 L C C 52.85 15.65 12.12 27.47 105.51 154.94 -89.50 43.45 94.60 0.95 4.45 78.04 9.38 7.22 2.06 2.22 0.00 0.44 0.65 66 G C C 38.49 5.00 18.98 24.48 124.87 -122.48 77.50 172.67 96.37 0.72 2.92 63.32 17.77 15.36 1.09 1.69 0.00 0.34 0.43 67 K C C 129.28 8.27 15.65 24.86 103.88 -69.46 -86.47 66.62 93.79 1.17 5.04 45.18 34.99 13.88 2.28 2.48 0.00 0.48 0.71 68 N C C 70.86 5.87 20.48 26.88 128.22 119.47 -120.89 157.10 85.30 4.01 10.69 49.79 31.60 3.41 9.46 1.47 0.01 1.03 3.23 69 I H H 56.29 17.01 14.69 31.11 93.09 -117.35 -62.33 -35.35 11.23 0.14 88.63 4.60 2.62 4.15 87.44 1.06 0.01 0.06 0.06 70 D H H 90.02 3.05 23.43 26.22 91.86 54.84 -63.74 -40.20 5.52 0.05 94.43 1.92 0.69 2.69 93.72 0.94 0.00 0.02 0.02 71 D H H 29.43 11.98 20.35 33.35 91.85 50.78 -64.71 -40.56 1.63 0.01 98.36 0.67 0.18 0.70 97.76 0.67 0.00 0.01 0.00 72 V H H 3.34 25.64 17.66 43.58 91.44 51.61 -64.23 -42.49 0.50 0.00 99.50 0.14 0.04 0.25 99.27 0.31 0.00 0.00 0.00 73 K H H 76.75 13.85 24.96 37.79 91.41 51.64 -62.80 -41.85 0.33 0.00 99.67 0.06 0.02 0.20 99.58 0.14 0.00 0.00 0.00 74 K H H 96.89 5.09 29.13 35.01 91.43 50.03 -64.16 -41.92 0.35 0.00 99.65 0.04 0.02 0.24 99.62 0.08 0.00 0.00 0.00 75 L H H 5.40 22.91 24.27 46.73 91.30 50.02 -63.96 -43.82 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 76 G H H 1.14 26.16 22.71 48.81 91.29 51.38 -63.13 -43.07 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 77 E H H 76.65 9.36 28.07 38.18 91.71 50.35 -64.41 -41.73 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 78 V H H 38.37 9.50 27.76 38.58 91.56 49.50 -63.96 -43.01 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 79 L H H 2.12 25.91 23.60 49.27 91.62 49.40 -64.22 -43.62 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 80 A H H 5.48 22.08 21.76 43.52 91.06 51.75 -62.33 -42.92 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 81 K H H 106.68 3.49 27.38 30.70 91.35 50.36 -63.68 -41.85 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 82 R H H 62.82 11.00 23.02 34.41 91.69 49.59 -64.81 -41.59 0.15 0.00 99.85 0.01 0.00 0.10 99.85 0.03 0.00 0.00 0.00 83 L H H 2.47 25.85 14.36 40.89 91.19 50.72 -63.75 -42.64 0.50 0.00 99.50 0.04 0.02 0.36 99.38 0.20 0.00 0.00 0.00 84 K H H 103.81 9.48 18.77 28.73 91.55 50.79 -63.45 -40.37 1.68 0.00 98.32 0.05 0.05 1.52 97.76 0.62 0.00 0.00 0.00 85 E H H 141.04 1.44 19.62 20.17 90.38 53.70 -65.83 -27.88 9.03 0.00 90.96 0.13 0.20 9.28 89.75 0.64 0.00 0.00 0.00 86 K C T 82.61 10.79 14.36 26.10 94.62 51.22 -90.78 5.06 88.51 0.03 11.46 0.39 1.57 86.49 10.82 0.70 0.00 0.01 0.03 87 N C T 121.49 2.12 21.67 23.66 93.47 -116.69 62.14 36.04 99.84 0.01 0.15 1.14 0.99 97.80 0.05 0.02 0.00 0.00 0.00 88 I C C 11.04 24.11 10.07 33.84 112.80 160.49 -86.45 123.13 88.32 11.55 0.13 88.72 0.48 0.10 0.03 0.05 0.00 9.99 0.64 89 N C C 93.37 5.34 23.85 30.03 100.64 175.39 -103.69 -14.70 80.64 19.28 0.09 66.67 11.91 0.38 0.01 0.08 0.00 20.59 0.35 90 N E E 52.97 11.03 24.91 36.58 134.32 31.89 -140.37 145.62 12.08 87.82 0.10 10.01 1.69 0.19 0.02 0.06 0.00 87.78 0.25 91 L E E 4.97 25.93 18.44 44.82 125.89 -167.50 -128.40 134.65 1.74 98.25 0.01 1.65 0.07 0.01 0.00 0.00 0.00 98.17 0.09 92 I E E 28.94 15.38 27.28 42.68 119.22 -161.31 -112.83 127.36 1.91 98.07 0.01 1.85 0.06 0.01 0.01 0.00 0.00 97.96 0.11 93 F E E 11.71 23.68 20.01 43.44 120.49 -164.61 -109.17 132.47 14.71 85.26 0.03 14.33 0.34 0.03 0.01 0.01 0.00 84.96 0.31 94 D C C 42.71 13.16 22.53 35.84 109.28 -146.11 -97.28 112.34 59.22 40.59 0.19 53.84 3.17 0.39 0.04 0.13 0.00 41.67 0.76 95 R C C 58.17 16.90 15.01 31.80 100.55 -175.79 -96.23 7.15 86.05 9.81 4.14 66.77 10.11 8.64 0.89 3.63 0.00 7.63 2.33 96 N C T 107.67 5.22 16.96 23.49 97.82 -135.15 57.14 35.10 90.06 3.91 6.03 24.25 22.38 43.58 0.86 5.24 0.01 2.30 1.39 97 G C T 53.37 3.95 15.06 19.90 98.68 -45.82 83.67 1.11 90.87 2.05 7.07 13.31 32.79 44.90 0.84 6.17 0.00 1.13 0.86 98 Y C C 112.17 8.45 12.03 21.83 121.88 111.53 -98.46 145.31 86.21 7.27 6.52 45.25 30.35 10.52 1.84 4.63 0.01 3.40 3.98 99 K C C 135.74 3.84 16.96 22.00 113.76 -117.72 -86.02 138.60 89.51 5.41 5.08 54.05 22.76 12.85 1.76 3.29 0.00 3.12 2.17 100 Y C C 96.10 15.00 11.16 25.62 112.44 -121.40 -87.40 124.50 89.72 3.97 6.31 63.20 15.67 10.65 3.26 3.03 0.00 2.03 2.16 101 H C C 106.13 5.45 16.12 23.10 126.53 170.21 -134.01 153.38 88.04 1.51 10.45 68.25 13.69 5.08 9.93 1.54 0.00 0.58 0.93 102 G H H 44.94 3.62 19.35 23.31 111.67 -26.69 65.40 -132.20 29.14 0.29 70.57 6.98 12.99 10.08 68.34 1.32 0.04 0.08 0.17 103 L H H 55.27 14.96 18.99 33.49 93.53 5.83 -67.62 -36.83 6.52 0.08 93.39 1.62 1.33 3.64 92.49 0.84 0.02 0.04 0.03 104 I H H 8.47 24.06 17.70 41.37 91.71 52.92 -64.09 -42.01 1.96 0.05 97.99 0.66 0.27 1.00 97.48 0.55 0.01 0.02 0.01 105 A H H 39.02 10.90 23.23 34.31 91.41 52.33 -62.67 -41.47 0.53 0.01 99.46 0.15 0.05 0.26 99.26 0.28 0.00 0.00 0.00 106 S H H 36.22 7.63 25.42 33.82 91.66 50.78 -64.40 -42.01 0.45 0.00 99.55 0.07 0.03 0.28 99.40 0.21 0.00 0.00 0.00 107 F H H 10.55 23.05 23.09 45.27 92.21 49.35 -65.20 -43.01 0.48 0.00 99.52 0.05 0.03 0.37 99.42 0.13 0.00 0.00 0.00 108 A H H 5.59 22.42 21.57 43.57 91.33 50.85 -62.75 -43.25 0.57 0.00 99.43 0.08 0.04 0.34 99.46 0.08 0.00 0.00 0.00 109 T H H 64.58 4.63 27.18 32.06 91.43 50.40 -63.87 -41.55 1.14 0.00 98.85 0.17 0.07 0.70 98.95 0.10 0.00 0.00 0.00 110 S H H 17.57 11.61 21.90 34.81 91.58 50.99 -63.54 -42.65 0.98 0.00 99.01 0.14 0.07 0.65 98.82 0.32 0.00 0.00 0.00 111 L H H 4.64 24.37 15.77 40.53 91.35 50.23 -63.88 -42.50 1.08 0.02 98.90 0.20 0.09 0.73 98.00 0.97 0.00 0.01 0.00 112 R H H 115.30 10.08 18.91 29.30 91.50 50.97 -62.67 -40.99 2.01 0.04 97.95 0.37 0.16 1.41 96.33 1.68 0.01 0.03 0.01 113 E H H 140.26 1.99 19.90 21.62 90.23 54.58 -65.04 -27.38 10.15 0.03 89.81 0.35 0.37 9.65 88.06 1.53 0.02 0.02 0.01 114 F C T 77.82 11.78 14.16 26.92 93.43 51.08 -89.36 1.69 74.92 0.05 25.04 0.42 1.05 73.13 24.14 1.22 0.00 0.01 0.03 115 G C T 51.45 2.43 20.86 23.09 97.52 -99.96 87.62 10.10 99.76 0.02 0.21 1.99 1.21 96.67 0.08 0.03 0.00 0.01 0.00 116 I C C 17.14 22.40 9.44 31.18 115.76 139.47 -90.68 132.31 97.31 2.62 0.06 96.12 1.36 0.17 0.02 0.02 0.00 1.79 0.52 117 N C C 108.34 3.03 22.99 26.23 111.70 -138.76 -91.06 121.91 78.02 21.88 0.10 79.84 0.48 0.22 0.04 0.04 0.00 14.26 5.12 118 I C C 25.94 23.36 13.40 35.74 116.46 -166.44 -105.75 126.97 97.68 2.32 0.00 98.34 0.07 0.01 0.00 0.00 0.00 1.46 0.13