# 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 77.08 10.23 20.77 30.90 117.41 -160.12 -96.17 129.89 99.77 0.23 0.00 99.77 0.06 0.01 0.00 0.00 0.00 0.15 0.00 1 V E E 19.49 20.68 14.58 34.87 122.57 -155.64 -112.40 135.90 20.84 79.15 0.01 21.23 0.24 0.02 0.00 0.01 0.00 77.98 0.52 2 K E E 78.58 8.85 23.69 32.90 121.47 -159.74 -112.61 134.22 5.84 94.15 0.00 5.21 0.35 0.02 0.00 0.00 0.00 94.33 0.08 3 I E E 14.01 23.42 16.86 40.21 120.13 -158.20 -110.62 130.06 1.27 98.73 0.00 1.19 0.03 0.00 0.00 0.00 0.00 98.76 0.02 4 R E E 71.60 10.27 25.44 36.03 125.49 -172.20 -122.97 138.53 0.54 99.46 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.48 0.01 5 L E E 20.01 22.43 17.83 39.75 120.57 -153.81 -106.63 132.88 0.67 99.33 0.00 0.61 0.01 0.00 0.00 0.00 0.00 99.37 0.00 6 A E E 32.05 10.68 22.90 34.20 131.12 -175.29 -130.39 149.09 0.48 99.52 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.54 0.01 7 R E E 102.02 13.64 17.37 30.71 115.66 -120.12 -85.27 132.50 1.20 98.79 0.00 1.13 0.03 0.00 0.00 0.00 0.00 98.80 0.04 8 F E E 75.57 10.50 16.69 28.16 130.73 173.63 -134.35 154.99 11.19 88.79 0.02 10.01 0.72 0.06 0.00 0.01 0.00 88.98 0.21 9 G E E 35.24 4.56 16.01 22.08 130.37 30.92 118.52 -170.99 35.34 64.59 0.07 25.45 9.44 0.66 0.01 0.07 0.00 63.62 0.75 10 S C C 60.80 4.60 13.73 19.60 125.94 -57.42 -113.20 159.87 66.10 33.65 0.25 55.89 8.93 0.91 0.06 0.23 0.00 30.78 3.20 11 K C S 155.92 2.81 11.17 15.73 95.94 -97.86 -65.07 -32.52 98.51 0.63 0.85 2.16 51.09 45.41 0.03 0.80 0.00 0.39 0.13 12 H C S 167.34 0.77 14.12 13.60 96.84 33.73 -81.81 -12.37 98.72 0.39 0.89 2.29 50.44 46.03 0.03 0.88 0.00 0.24 0.09 13 N C S 79.95 5.62 13.65 20.80 113.52 33.11 -130.37 90.25 72.96 26.75 0.29 20.88 50.27 2.26 0.03 0.31 0.00 24.92 1.34 14 P C C 38.25 13.37 13.27 27.76 115.81 -152.61 -70.61 144.38 56.44 43.53 0.03 52.57 1.55 0.13 0.00 0.02 0.00 45.43 0.30 15 H E E 44.21 12.32 19.58 33.04 129.59 -170.97 -127.27 148.47 2.29 97.70 0.00 2.02 0.13 0.01 0.00 0.00 0.00 97.76 0.09 16 Y E E 37.29 18.60 19.00 37.26 127.20 -158.05 -121.67 142.69 0.24 99.76 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 17 R E E 54.59 14.72 24.24 38.54 130.49 -171.97 -128.18 144.20 0.18 99.81 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 18 I E E 10.20 22.40 21.42 43.82 118.23 -145.52 -106.98 128.61 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 19 V E E 12.17 18.31 25.06 43.27 124.38 -168.76 -119.10 137.83 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 20 V E E 10.40 21.08 23.58 44.44 119.43 -153.58 -107.95 130.03 0.73 99.27 0.00 0.69 0.01 0.00 0.00 0.00 0.00 99.29 0.01 21 T E E 13.18 16.54 20.47 37.69 133.30 173.73 -132.18 155.17 5.63 94.36 0.00 5.40 0.12 0.00 0.00 0.00 0.00 94.23 0.23 22 D E E 33.73 10.98 18.56 30.96 112.64 -104.54 -72.35 142.18 32.15 67.70 0.15 29.68 2.19 0.24 0.04 0.10 0.00 66.42 1.33 23 A C T 58.26 10.01 14.55 25.64 92.38 -128.08 -65.93 -21.57 95.29 1.04 3.68 1.67 15.92 78.03 0.44 2.88 0.01 0.65 0.41 24 R C T 176.22 1.30 16.56 17.08 94.60 60.63 -83.09 -11.09 94.93 0.97 4.10 2.30 16.24 76.63 0.63 3.19 0.01 0.60 0.41 25 R C S 99.86 8.82 10.24 20.29 118.01 77.69 -101.37 133.64 91.39 4.41 4.21 29.50 58.74 3.34 1.57 2.16 0.02 1.75 2.92 26 K C C 118.14 4.02 13.53 18.84 114.34 -124.54 -70.18 154.50 92.23 3.15 4.62 82.09 4.61 5.21 1.36 3.34 0.00 1.60 1.80 27 R C T 146.89 7.21 11.27 19.76 95.05 -101.15 -64.69 -24.42 85.91 1.22 12.87 6.57 14.09 63.26 1.11 13.56 0.01 0.66 0.75 28 D C T 107.91 2.54 15.12 17.99 96.21 55.38 -84.06 1.32 85.86 0.60 13.54 3.49 11.64 69.01 0.94 14.23 0.00 0.33 0.37 29 G C S 32.34 10.60 13.11 24.24 99.46 -103.66 82.98 4.32 88.60 2.49 8.91 36.57 37.69 13.29 0.70 9.41 0.00 1.41 0.93 30 K C C 103.23 6.23 17.49 24.77 114.29 128.77 -84.52 134.10 92.12 7.07 0.81 77.83 12.14 2.05 0.19 0.76 0.00 5.37 1.66 31 Y E E 78.67 15.19 13.97 28.87 117.58 -135.76 -93.14 135.12 48.60 51.20 0.20 45.82 1.99 0.29 0.07 0.14 0.00 47.59 4.10 32 I E E 66.68 12.54 18.13 30.71 101.16 -171.64 -93.02 -31.81 38.70 61.25 0.05 24.72 13.77 0.25 0.01 0.04 0.00 60.97 0.25 33 E E E 74.45 9.35 21.52 31.22 135.95 -3.32 -147.01 148.90 3.11 96.85 0.04 2.77 0.32 0.03 0.01 0.02 0.00 96.76 0.10 34 K E E 96.15 13.18 19.69 32.37 111.42 -123.98 -83.76 124.34 0.93 99.07 0.01 1.04 0.02 0.00 0.00 0.00 0.00 98.87 0.06 35 I E E 17.34 20.07 18.57 38.87 100.97 175.87 -99.51 -24.37 3.66 96.32 0.02 2.91 0.56 0.07 0.00 0.01 0.00 96.40 0.04 36 G E E 6.07 14.51 22.36 37.88 145.80 -40.49 166.74 176.20 2.67 97.32 0.01 1.92 0.62 0.08 0.00 0.01 0.00 97.34 0.03 37 Y E E 70.03 13.36 23.36 36.93 133.94 -110.31 -138.68 151.33 1.71 98.28 0.01 1.55 0.15 0.02 0.00 0.01 0.00 98.17 0.11 38 Y E E 36.24 18.75 17.87 36.70 122.27 -142.97 -114.52 135.17 7.76 92.22 0.01 7.09 0.53 0.03 0.01 0.01 0.00 90.34 2.00 39 D C C 34.62 10.22 18.90 30.94 111.46 -164.04 -117.46 108.32 89.93 10.05 0.02 88.79 1.18 0.08 0.00 0.01 0.00 9.58 0.35 40 P C T 51.36 13.06 14.02 28.28 93.35 -166.83 -67.12 -19.68 97.57 1.42 1.01 9.21 18.67 69.46 0.08 1.17 0.00 1.22 0.19 41 R C T 157.37 2.71 15.75 19.00 95.69 59.18 -85.15 -9.64 97.84 0.96 1.21 6.51 24.13 67.03 0.11 1.31 0.00 0.62 0.28 42 K C C 112.89 6.27 10.87 18.82 112.25 83.27 -92.89 114.50 96.93 1.92 1.15 51.27 38.90 6.59 0.17 1.16 0.00 0.82 1.08 43 T C S 98.39 3.69 12.14 17.39 101.48 -154.04 -87.50 -11.91 99.12 0.57 0.31 42.46 51.22 5.46 0.05 0.29 0.00 0.27 0.24 44 T C S 90.31 2.93 14.54 18.39 116.50 40.54 -112.66 119.05 97.98 1.27 0.75 36.20 58.38 3.51 0.10 0.70 0.00 0.65 0.47 45 P C C 63.35 11.13 11.34 23.20 107.25 -119.35 -66.57 134.46 89.04 2.17 8.79 51.09 16.16 20.18 0.65 9.98 0.00 1.45 0.48 46 D C C 87.42 6.81 15.81 23.56 98.99 -152.02 -82.53 -9.81 74.11 13.46 12.43 40.32 16.12 17.53 0.85 12.32 0.00 11.86 0.99 47 W E E 119.04 8.57 17.36 26.67 120.47 51.89 -118.46 130.96 42.59 46.51 10.90 32.47 6.89 4.84 1.64 8.62 0.00 44.00 1.54 48 L E E 30.40 19.72 13.79 32.91 122.69 -166.01 -115.50 134.46 27.30 72.01 0.69 24.24 2.40 0.52 0.29 0.39 0.00 70.52 1.63 49 K E E 114.23 5.88 23.79 30.79 123.77 -163.57 -119.57 135.96 13.04 86.72 0.23 11.68 1.09 0.20 0.14 0.11 0.00 84.46 2.33 50 V E E 16.28 23.19 12.72 35.59 120.62 -153.10 -107.74 133.48 24.30 75.56 0.14 23.18 0.94 0.08 0.11 0.05 0.00 70.65 4.99 51 D C C 64.10 6.48 21.28 28.58 105.38 -132.01 -86.18 104.07 85.59 14.24 0.17 85.65 0.63 0.06 0.11 0.03 0.00 13.04 0.49 52 V H H 55.84 15.02 13.99 29.08 93.91 -167.63 -64.67 -35.36 2.38 0.01 97.61 0.58 0.25 1.25 97.40 0.52 0.00 0.00 0.00 53 E H H 130.22 1.42 21.82 21.43 91.55 54.13 -63.30 -40.86 0.92 0.00 99.08 0.09 0.06 0.66 98.67 0.51 0.00 0.00 0.00 54 R H H 89.64 8.78 19.56 28.98 92.03 48.79 -65.73 -40.23 0.31 0.00 99.68 0.04 0.02 0.20 99.31 0.43 0.00 0.00 0.00 55 A H H 2.66 24.84 13.24 38.39 91.42 51.85 -63.48 -42.74 0.18 0.00 99.82 0.03 0.01 0.10 99.76 0.11 0.00 0.00 0.00 56 R H H 114.60 7.55 21.35 29.42 91.44 51.79 -62.90 -41.52 0.17 0.00 99.83 0.02 0.01 0.10 99.79 0.08 0.00 0.00 0.00 57 Y H H 121.34 2.62 22.96 24.46 91.72 50.35 -63.92 -42.59 0.21 0.00 99.79 0.01 0.01 0.16 99.69 0.13 0.00 0.00 0.00 58 W H H 26.95 17.52 16.89 34.73 92.13 49.72 -64.52 -42.49 0.52 0.00 99.48 0.04 0.02 0.40 99.13 0.41 0.00 0.00 0.00 59 L H H 34.43 18.45 15.09 32.93 91.83 50.39 -64.58 -38.84 1.62 0.00 98.38 0.08 0.07 1.48 97.21 1.16 0.00 0.00 0.00 60 S H H 86.05 2.02 19.22 21.42 90.44 55.98 -67.63 -24.29 12.18 0.01 87.81 0.23 0.35 12.23 86.02 1.15 0.01 0.00 0.01 61 V C T 88.83 4.89 16.86 22.71 95.26 52.66 -92.97 -0.70 79.25 0.05 20.70 0.51 2.28 75.43 20.57 1.12 0.00 0.01 0.06 62 G C T 42.07 5.63 19.70 25.83 101.40 -97.03 94.27 7.11 99.20 0.03 0.77 4.72 2.91 91.58 0.67 0.10 0.00 0.02 0.01 63 A C C 15.35 20.91 12.01 32.48 116.12 156.43 -72.74 143.19 98.45 1.48 0.07 97.05 1.48 0.15 0.02 0.02 0.00 0.89 0.39 64 Q C C 112.16 4.71 25.16 30.51 113.63 -138.95 -102.17 122.02 87.20 12.78 0.02 86.66 1.72 0.05 0.01 0.01 0.00 9.83 1.72 65 P C C 27.53 22.23 13.24 34.59 117.02 -122.25 -69.96 148.56 77.99 21.96 0.04 80.14 0.63 0.03 0.02 0.01 0.00 12.80 6.36 66 T C C 38.58 10.35 17.81 29.29 121.89 -117.20 -76.80 165.27 98.19 1.73 0.08 98.18 0.48 0.03 0.04 0.01 0.00 0.68 0.58 67 D H H 110.03 2.28 19.18 21.73 90.75 -101.53 -59.67 -36.29 1.23 0.00 98.77 0.18 0.20 0.67 98.83 0.12 0.00 0.00 0.00 68 T H H 55.15 7.62 19.71 28.14 91.76 52.79 -64.38 -41.02 0.43 0.00 99.57 0.04 0.03 0.28 99.55 0.10 0.00 0.00 0.00 69 A H H 2.69 24.80 14.59 39.74 91.17 49.24 -64.35 -42.45 0.11 0.00 99.89 0.01 0.00 0.06 99.86 0.06 0.00 0.00 0.00 70 R H H 88.91 12.95 19.39 31.99 91.14 52.12 -61.98 -42.20 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.02 0.00 0.00 0.00 71 R H H 132.22 1.98 24.02 24.20 91.49 50.46 -63.72 -42.13 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 72 L H H 25.61 13.61 19.21 33.81 91.78 49.71 -64.11 -42.99 0.09 0.00 99.91 0.00 0.00 0.07 99.90 0.03 0.00 0.00 0.00 73 L H H 7.57 22.43 14.66 37.18 91.66 49.46 -64.09 -42.57 0.21 0.00 99.79 0.02 0.01 0.15 99.75 0.07 0.00 0.00 0.00 74 R H H 133.53 4.95 18.34 24.44 91.55 50.39 -63.22 -41.07 0.73 0.00 99.27 0.06 0.03 0.56 99.13 0.22 0.00 0.00 0.00 75 Q H H 124.82 2.12 17.99 20.23 91.46 51.47 -65.63 -33.00 4.02 0.00 95.98 0.08 0.10 3.89 95.67 0.25 0.00 0.00 0.00 76 A C T 36.82 11.87 12.89 25.78 93.14 52.63 -82.21 -9.90 68.40 0.03 31.58 0.34 1.00 65.94 32.06 0.62 0.00 0.01 0.02 77 G C T 48.46 3.37 18.70 22.48 95.99 -113.41 77.83 13.40 98.65 0.03 1.32 1.41 2.46 94.92 1.01 0.18 0.00 0.01 0.01 78 V C C 33.18 14.90 13.59 29.05 97.66 121.56 -84.02 -19.28 92.35 1.50 6.14 38.54 38.50 15.38 2.38 3.68 0.00 0.66 0.85 79 F C S 62.98 15.59 11.92 27.04 117.30 61.82 -103.37 132.21 80.17 10.37 9.46 28.43 35.93 16.67 3.07 5.67 0.06 4.62 5.55 80 R C C 146.23 4.33 14.03 20.08 115.65 -157.74 -95.95 138.64 87.75 6.66 5.59 61.31 19.74 6.69 1.69 4.05 0.00 4.43 2.09 81 Q C C 129.99 3.68 11.26 17.05 112.63 -117.05 -84.76 134.02 94.57 3.35 2.09 90.24 1.28 3.45 0.60 1.06 0.00 2.51 0.84 82 E C C 132.92 4.11 11.52 17.50 112.56 -122.12 -85.26 131.35 99.94 0.05 0.01 99.88 0.06 0.02 0.00 0.00 0.00 0.03 0.00