# 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 A C C 37.01 11.83 21.17 32.95 119.69 -164.89 -102.85 136.33 99.71 0.28 0.00 99.73 0.06 0.01 0.00 0.00 0.00 0.19 0.01 1 V E E 18.40 20.97 15.39 35.95 123.02 -155.76 -115.40 135.79 21.22 78.76 0.02 21.48 0.27 0.03 0.01 0.01 0.00 77.67 0.54 2 K E E 84.78 8.43 24.08 32.82 119.91 -158.53 -110.21 132.12 6.80 93.19 0.01 6.02 0.46 0.03 0.00 0.01 0.00 93.35 0.12 3 I E E 10.85 24.07 16.17 40.36 120.09 -159.90 -110.20 130.49 2.27 97.73 0.00 2.09 0.08 0.01 0.00 0.00 0.00 97.79 0.03 4 R E E 78.18 9.23 25.74 35.32 122.05 -169.94 -118.66 132.95 1.26 98.74 0.00 1.16 0.04 0.00 0.00 0.00 0.00 98.79 0.02 5 L E E 17.56 23.38 16.04 39.00 123.06 -160.04 -110.85 135.86 1.40 98.60 0.00 1.29 0.03 0.00 0.00 0.00 0.00 98.67 0.01 6 K E E 84.73 7.96 23.80 32.21 130.61 -174.89 -130.53 147.45 0.62 99.37 0.00 0.57 0.02 0.00 0.00 0.00 0.00 99.39 0.01 7 R E E 107.68 13.42 16.44 29.63 114.56 -115.48 -78.84 133.96 1.43 98.56 0.00 1.36 0.04 0.00 0.00 0.00 0.00 98.53 0.06 8 M E E 67.01 10.43 16.20 27.63 129.52 -177.04 -128.79 155.19 16.54 83.43 0.03 14.86 1.04 0.09 0.01 0.02 0.00 83.71 0.27 9 G E E 37.54 4.29 15.56 21.37 130.34 28.84 118.33 -170.99 45.53 54.39 0.09 31.35 13.55 0.95 0.01 0.09 0.00 53.26 0.78 10 S C C 62.18 4.61 13.47 19.51 126.51 -61.07 -117.38 162.38 70.58 29.15 0.26 58.89 10.60 1.10 0.07 0.25 0.00 25.45 3.65 11 K C S 159.51 2.40 11.29 15.30 96.33 -97.36 -65.68 -30.55 98.66 0.63 0.71 2.68 56.67 39.45 0.03 0.65 0.00 0.38 0.13 12 K C S 170.81 0.81 14.22 13.87 96.85 35.41 -81.81 -15.61 98.84 0.44 0.72 2.88 56.62 39.41 0.02 0.69 0.00 0.28 0.09 13 S C S 51.10 6.70 13.39 21.71 114.76 31.52 -129.99 95.44 75.55 24.20 0.24 23.12 50.89 2.06 0.02 0.26 0.00 22.32 1.34 14 P C C 37.95 12.85 14.30 28.45 115.38 -152.01 -71.34 143.97 61.05 38.91 0.04 56.69 1.87 0.17 0.00 0.03 0.00 40.91 0.32 15 F E E 40.13 13.35 19.66 34.11 129.52 -170.47 -126.03 147.46 3.29 96.71 0.00 2.86 0.20 0.01 0.00 0.00 0.00 96.81 0.12 16 Y E E 31.03 19.17 19.82 38.63 127.05 -155.62 -120.14 142.65 0.35 99.65 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.00 17 R E E 48.77 15.60 24.86 39.97 129.22 -170.51 -128.55 143.62 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 18 I E E 7.79 23.40 21.95 45.51 117.83 -144.77 -106.42 128.57 0.08 99.92 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 19 V E E 10.99 19.06 25.65 44.47 125.11 -168.87 -118.91 138.14 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 20 V E E 11.55 20.82 24.42 44.91 118.81 -151.77 -108.09 128.88 0.78 99.21 0.00 0.71 0.02 0.00 0.00 0.00 0.00 99.26 0.01 21 A E E 9.15 17.85 20.15 38.47 133.21 172.91 -130.34 154.04 6.70 93.29 0.00 6.26 0.21 0.00 0.00 0.00 0.00 93.20 0.32 22 D E E 37.36 10.51 19.53 31.13 115.30 -104.13 -71.84 150.95 31.74 68.18 0.08 29.59 1.73 0.18 0.02 0.06 0.00 66.66 1.76 23 S C T 65.18 9.62 15.30 25.89 91.44 -116.76 -63.66 -23.19 98.94 0.61 0.44 0.61 11.16 87.32 0.02 0.37 0.00 0.40 0.11 24 R C T 177.10 1.29 17.79 18.07 94.37 59.49 -85.86 -7.88 99.01 0.53 0.46 0.85 11.69 86.54 0.02 0.42 0.00 0.37 0.10 25 S C S 30.43 12.55 9.55 22.90 117.13 83.92 -98.53 128.73 95.86 3.93 0.21 25.82 70.01 0.50 0.07 0.11 0.00 1.34 2.15 26 P C C 68.28 5.11 14.42 20.97 109.83 -125.19 -66.10 157.45 95.41 2.24 2.36 87.15 3.47 4.46 0.41 2.15 0.00 1.20 1.17 27 R C T 148.67 7.48 11.57 20.41 93.49 -102.34 -63.43 -25.60 92.65 0.68 6.67 3.80 11.35 75.79 0.33 7.97 0.00 0.40 0.36 28 D C T 114.20 1.70 15.98 17.50 95.48 54.34 -85.21 1.39 91.21 0.44 8.34 2.55 10.59 76.42 0.39 9.55 0.00 0.24 0.25 29 G C S 32.15 11.56 12.65 24.47 99.66 -104.95 81.94 5.98 93.27 1.78 4.95 40.50 44.15 7.79 0.38 5.41 0.00 0.92 0.85 30 R C C 123.18 5.36 18.39 24.77 113.35 130.97 -83.86 131.67 94.38 5.21 0.42 82.06 10.72 1.57 0.08 0.42 0.00 3.75 1.41 31 F E E 73.86 15.55 13.62 28.80 113.02 -124.06 -82.28 128.85 43.12 56.77 0.11 41.36 1.62 0.17 0.04 0.09 0.00 51.06 5.67 32 I E E 66.74 11.75 17.99 30.17 100.99 175.71 -92.94 -33.88 39.05 60.92 0.03 21.16 17.55 0.31 0.00 0.03 0.00 60.73 0.21 33 E E E 73.84 8.95 21.47 30.95 137.47 -3.72 -147.38 149.24 4.09 95.88 0.03 3.40 0.68 0.06 0.00 0.02 0.00 95.70 0.14 34 T E E 67.28 12.82 19.27 31.80 111.74 -124.71 -86.79 123.01 1.35 98.64 0.01 1.49 0.03 0.00 0.00 0.00 0.00 98.40 0.07 35 V E E 20.20 18.82 17.92 36.97 101.23 176.04 -99.25 -21.57 3.78 96.20 0.02 2.90 0.76 0.10 0.00 0.01 0.00 96.18 0.05 36 G E E 8.82 12.06 22.14 35.54 144.32 -47.41 161.63 177.87 2.63 97.35 0.02 1.86 0.60 0.09 0.00 0.01 0.00 97.40 0.03 37 T E E 43.46 13.25 21.55 35.14 133.32 -96.92 -135.38 151.55 2.50 97.49 0.01 2.24 0.21 0.02 0.00 0.01 0.00 97.36 0.15 38 Y E E 43.65 16.92 17.19 34.42 124.03 -150.65 -119.25 136.36 8.51 91.47 0.02 7.60 0.73 0.05 0.01 0.01 0.00 89.63 1.96 39 N C C 47.00 8.56 18.37 28.79 110.64 -156.45 -111.60 105.87 74.72 25.24 0.03 71.41 2.19 0.13 0.01 0.03 0.00 25.72 0.52 40 P C T 48.81 13.04 12.47 26.75 94.14 -170.59 -67.30 -20.57 91.98 6.03 1.98 23.24 31.48 37.23 0.18 1.96 0.00 5.20 0.69 41 L C S 116.72 2.89 13.87 17.73 97.35 57.82 -80.87 -26.25 95.46 2.39 2.16 11.33 43.83 40.46 0.19 2.01 0.00 1.49 0.68 42 K C S 139.56 2.16 12.95 15.68 107.65 37.75 -101.11 -14.81 95.61 1.85 2.54 18.93 53.03 23.56 0.24 2.50 0.00 1.07 0.67 43 D C S 105.58 2.96 12.87 17.05 109.80 -11.60 -101.63 93.07 96.45 2.96 0.59 43.03 46.84 6.71 0.08 0.63 0.00 1.90 0.81 44 P C C 74.86 8.16 11.44 20.89 106.34 -152.49 -70.11 121.51 91.83 4.84 3.33 35.11 28.77 27.99 0.34 3.46 0.00 3.71 0.62 45 A C C 53.34 8.85 13.45 23.40 112.05 -121.35 -82.99 129.89 80.43 16.24 3.33 50.40 14.20 14.76 0.33 3.49 0.00 16.08 0.74 46 E E E 103.86 6.98 17.81 25.77 117.06 -146.89 -103.82 129.23 45.26 52.41 2.33 38.99 4.66 1.52 0.47 1.73 0.00 51.53 1.10 47 V E E 28.41 19.48 13.09 32.02 125.09 -164.95 -119.37 137.52 14.91 84.75 0.34 13.80 0.94 0.18 0.19 0.15 0.00 83.64 1.10 48 V E E 74.92 6.96 23.65 31.27 124.51 -166.64 -122.00 136.17 7.85 91.96 0.18 7.16 0.70 0.13 0.12 0.07 0.00 90.77 1.05 49 L E E 20.24 22.77 12.59 34.98 118.00 -146.10 -100.18 130.89 20.58 79.28 0.14 19.52 0.93 0.08 0.11 0.06 0.00 76.67 2.63 50 K C C 100.19 5.69 21.41 27.55 107.03 -132.92 -84.38 109.40 83.67 16.12 0.21 83.39 0.78 0.08 0.14 0.04 0.00 15.13 0.44 51 E H H 86.15 13.95 13.89 27.86 93.45 -159.79 -61.52 -37.90 1.81 0.00 98.18 0.43 0.19 0.94 97.96 0.47 0.00 0.00 0.00 52 D H H 107.41 1.42 20.83 20.90 91.60 54.41 -63.85 -39.48 0.60 0.00 99.40 0.07 0.03 0.41 99.01 0.47 0.00 0.00 0.00 53 L H H 49.93 9.44 18.55 29.20 92.08 49.20 -65.85 -40.67 0.18 0.00 99.82 0.02 0.01 0.11 99.51 0.34 0.00 0.00 0.00 54 V H H 4.29 24.11 14.16 38.54 91.51 50.52 -63.63 -43.63 0.12 0.00 99.88 0.02 0.00 0.06 99.85 0.07 0.00 0.00 0.00 55 L H H 52.30 9.99 20.03 30.95 91.36 50.32 -63.34 -41.40 0.12 0.00 99.88 0.01 0.00 0.07 99.87 0.04 0.00 0.00 0.00 56 D H H 82.40 2.23 23.43 24.10 91.79 50.59 -64.25 -41.56 0.18 0.00 99.82 0.01 0.01 0.14 99.78 0.06 0.00 0.00 0.00 57 W H H 31.42 15.48 17.16 33.41 91.85 50.13 -64.24 -42.55 0.37 0.00 99.63 0.02 0.01 0.28 99.44 0.23 0.00 0.00 0.00 58 L H H 30.09 19.04 14.47 32.99 91.70 50.71 -64.74 -38.78 1.05 0.00 98.94 0.05 0.04 0.92 98.39 0.61 0.00 0.00 0.00 59 S H H 82.47 2.84 18.11 21.84 90.29 56.82 -67.13 -23.55 11.07 0.01 88.92 0.23 0.32 11.00 87.71 0.73 0.01 0.00 0.01 60 K C T 132.63 3.00 16.99 20.53 94.08 53.74 -89.19 0.24 85.50 0.03 14.47 0.33 1.48 82.82 14.74 0.59 0.00 0.01 0.03 61 G C T 44.86 4.79 18.75 24.31 101.44 -97.69 92.37 7.76 99.31 0.02 0.67 2.33 1.94 95.02 0.62 0.06 0.00 0.01 0.01 62 A C C 17.89 19.95 11.18 30.64 116.89 158.69 -72.36 143.08 98.30 1.64 0.06 97.31 1.12 0.13 0.02 0.02 0.00 1.01 0.39 63 Q C C 120.55 3.30 24.25 28.08 116.27 -143.27 -105.47 127.10 87.81 12.16 0.02 87.40 1.35 0.06 0.01 0.01 0.00 9.84 1.34 64 P C C 32.47 21.62 12.56 33.09 117.19 -115.51 -69.09 149.58 82.68 17.27 0.05 83.96 0.72 0.04 0.02 0.02 0.00 10.77 4.46 65 S C C 32.25 10.36 16.59 28.26 120.88 -114.39 -75.36 162.91 98.35 1.55 0.10 98.29 0.46 0.03 0.06 0.01 0.00 0.62 0.53 66 D H H 114.58 1.94 18.28 20.46 90.98 -105.09 -60.28 -34.62 1.37 0.00 98.63 0.15 0.21 0.81 98.68 0.14 0.00 0.00 0.00 67 T H H 62.98 6.52 19.18 26.46 91.86 53.02 -64.74 -41.19 0.62 0.00 99.37 0.05 0.04 0.44 99.34 0.13 0.00 0.00 0.00 68 V H H 6.64 23.28 14.75 38.05 91.78 48.26 -64.81 -42.64 0.17 0.00 99.82 0.02 0.01 0.10 99.79 0.08 0.00 0.00 0.00 69 R H H 88.61 12.96 18.81 31.52 91.07 51.50 -61.96 -42.34 0.06 0.00 99.94 0.00 0.00 0.03 99.94 0.02 0.00 0.00 0.00 70 N H H 87.81 2.21 23.36 23.91 91.70 49.74 -64.12 -42.07 0.20 0.00 99.80 0.01 0.00 0.13 99.83 0.02 0.00 0.00 0.00 71 I H H 29.82 11.74 19.35 32.44 91.65 49.25 -63.85 -43.37 0.30 0.00 99.70 0.02 0.01 0.22 99.72 0.04 0.00 0.00 0.00 72 L H H 8.81 20.75 14.70 35.79 91.74 48.58 -64.40 -42.25 0.70 0.00 99.29 0.09 0.05 0.45 99.30 0.11 0.00 0.00 0.00 73 S H H 53.62 7.14 17.03 25.24 91.84 51.04 -63.98 -40.57 2.24 0.00 97.76 0.25 0.11 1.66 97.43 0.55 0.00 0.00 0.00 74 K H H 148.46 1.63 18.03 19.38 91.58 52.02 -65.94 -32.36 7.20 0.01 92.79 0.17 0.23 6.94 92.08 0.57 0.00 0.00 0.00 75 E C T 89.46 8.45 14.36 23.94 93.62 50.55 -85.72 -4.61 73.48 0.02 26.50 0.27 1.55 71.17 26.24 0.74 0.00 0.00 0.02 76 G C T 40.24 4.46 18.29 23.65 96.43 -112.29 80.47 11.25 98.29 0.02 1.69 1.48 2.67 94.10 1.61 0.12 0.00 0.00 0.01 77 V H H 26.77 13.16 15.37 30.05 95.18 120.74 -73.47 -30.19 19.72 0.08 80.20 12.50 2.75 4.71 78.73 1.22 0.00 0.02 0.05 78 M H H 35.72 16.60 14.65 31.13 92.82 59.10 -64.26 -41.49 3.46 0.02 96.53 0.80 0.50 2.11 95.28 1.29 0.00 0.01 0.00 79 K H H 118.39 3.34 19.87 23.41 91.83 52.49 -63.54 -41.29 1.09 0.01 98.90 0.32 0.12 0.58 97.75 1.22 0.00 0.00 0.00 80 K H H 112.55 3.08 19.56 22.55 92.12 49.69 -65.98 -40.65 0.94 0.01 99.05 0.24 0.10 0.53 98.19 0.94 0.00 0.00 0.00 81 H H H 51.89 11.85 15.22 27.95 92.87 48.56 -66.69 -41.09 1.54 0.01 98.45 0.39 0.17 0.88 97.76 0.79 0.00 0.01 0.00 82 H H H 71.51 8.56 15.06 25.00 92.39 49.99 -65.57 -40.56 3.13 0.02 96.85 0.75 0.33 1.88 96.19 0.83 0.00 0.01 0.01 83 E H H 114.10 2.14 16.71 18.66 92.64 50.91 -65.87 -38.03 6.79 0.04 93.17 1.41 0.72 4.34 92.36 1.13 0.01 0.01 0.01 84 A H H 53.02 4.88 13.19 19.63 93.27 53.52 -67.78 -33.72 15.02 0.09 84.88 3.64 1.92 9.19 83.13 2.02 0.01 0.04 0.05 85 K H H 113.00 6.04 12.22 19.61 94.82 56.53 -72.22 -26.15 32.96 0.27 66.77 6.90 4.69 21.65 63.94 2.51 0.04 0.11 0.16 86 N C H 110.00 3.16 11.01 15.56 99.92 51.90 -87.80 3.58 57.11 0.72 42.18 18.14 8.03 31.26 38.98 2.88 0.02 0.27 0.41 87 V C C 100.36 3.45 8.71 14.11 111.73 105.67 -86.44 129.23 84.87 0.70 14.43 69.86 2.25 11.80 13.95 1.38 0.00 0.28 0.48 88 K C C 156.25 2.01 11.46 14.87 109.44 -126.37 -80.64 123.78 99.96 0.02 0.02 99.88 0.06 0.04 0.01 0.00 0.00 0.01 0.00