# 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 116.56 5.47 12.38 19.28 113.69 112.56 -97.33 141.29 99.95 0.05 0.00 99.93 0.04 0.01 0.00 0.00 0.00 0.02 0.00 1 E C C 123.01 3.48 13.42 18.40 117.60 -133.67 -94.85 137.79 91.41 8.49 0.11 91.77 0.41 0.34 0.02 0.04 0.00 6.43 1.00 2 V C C 75.47 10.19 11.07 22.18 118.16 -134.68 -95.49 134.01 83.53 16.37 0.11 76.74 4.99 0.61 0.01 0.10 0.00 17.09 0.46 3 K E E 78.39 9.39 16.47 27.10 124.01 -164.38 -114.66 142.59 41.33 58.63 0.03 38.82 1.49 0.10 0.00 0.02 0.00 59.13 0.43 4 V E E 56.47 10.77 18.29 30.10 119.33 -140.21 -106.12 131.67 9.02 90.97 0.00 8.31 0.35 0.01 0.00 0.00 0.00 91.18 0.13 5 F E E 20.12 18.07 16.18 34.86 131.14 -176.49 -129.25 151.79 0.97 99.03 0.00 0.90 0.03 0.00 0.00 0.00 0.00 99.06 0.01 6 R E E 86.17 9.12 23.86 33.48 120.11 -139.72 -110.12 132.01 0.31 99.69 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.72 0.00 7 V E E 4.77 24.56 15.70 41.05 123.13 -167.98 -119.12 134.81 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 8 K E E 80.76 8.31 25.23 33.86 125.24 -169.63 -120.33 138.18 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 9 G E E 7.11 15.51 19.25 35.63 143.94 128.12 -162.92 -173.05 0.18 99.82 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 10 T E E 44.38 9.19 22.61 32.92 127.39 -90.52 -124.58 143.43 0.26 99.74 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 11 F E E 20.97 18.70 14.40 33.46 129.33 -173.34 -129.45 147.21 0.90 99.10 0.00 0.78 0.03 0.00 0.00 0.00 0.00 99.17 0.01 12 E E E 99.30 5.78 17.31 24.28 112.31 -130.36 -94.25 122.30 6.03 93.96 0.01 5.19 0.33 0.03 0.00 0.01 0.00 94.39 0.05 13 R E E 84.83 10.99 9.67 21.54 120.68 175.30 -131.61 122.81 14.84 84.95 0.22 10.28 3.60 1.20 0.03 0.21 0.00 84.08 0.59 14 L C T 142.36 1.37 12.00 13.81 94.81 -19.61 51.43 45.68 99.20 0.33 0.47 0.91 8.44 89.81 0.01 0.54 0.00 0.25 0.04 15 G C T 68.40 0.44 11.53 10.72 95.79 -44.30 78.13 2.41 99.54 0.12 0.34 0.78 8.34 90.38 0.01 0.39 0.00 0.08 0.02 16 K E E 127.70 2.16 11.85 15.58 126.29 95.55 -117.75 147.25 11.16 88.80 0.04 6.67 4.28 0.47 0.01 0.04 0.00 88.13 0.42 17 K E E 125.37 6.38 10.79 19.20 116.21 -124.96 -92.16 132.31 5.15 94.84 0.00 4.47 0.22 0.01 0.00 0.00 0.00 95.23 0.06 18 Q E E 66.90 8.69 14.00 24.55 125.42 -173.59 -125.45 137.69 2.96 97.04 0.00 2.55 0.10 0.00 0.00 0.00 0.00 97.32 0.03 19 P E E 81.92 5.42 17.74 24.21 114.63 -116.95 -71.82 140.81 4.21 95.79 0.00 3.54 0.19 0.01 0.00 0.00 0.00 96.24 0.02 20 F E E 30.04 17.55 13.48 31.30 133.19 -178.27 -135.57 155.23 2.88 97.12 0.00 2.70 0.05 0.00 0.00 0.00 0.00 97.23 0.02 21 T E E 57.38 10.80 19.20 30.77 126.20 -155.32 -125.32 138.48 0.46 99.54 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.58 0.00 22 K E E 50.34 15.43 18.34 33.91 127.14 -168.00 -125.93 139.26 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 23 E E E 62.76 12.63 20.97 33.95 120.31 -155.26 -109.43 130.06 0.14 99.86 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 24 Y E E 25.10 18.40 18.63 37.27 131.24 -175.46 -133.68 146.39 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 25 R E E 105.13 8.80 24.13 33.18 115.89 -128.76 -90.20 131.51 1.39 98.61 0.00 1.23 0.04 0.00 0.00 0.00 0.00 98.67 0.05 26 A E E 9.41 19.29 13.71 33.17 132.71 -166.99 -133.05 157.97 41.76 58.20 0.05 40.58 0.94 0.07 0.01 0.03 0.00 57.65 0.72 27 L C S 103.97 4.81 19.96 25.47 94.40 -131.73 -75.49 -26.11 99.74 0.24 0.02 3.02 96.43 0.40 0.00 0.01 0.00 0.13 0.02 28 K C S 100.71 2.80 22.90 24.82 135.76 11.19 -143.49 159.18 99.43 0.44 0.13 15.37 83.97 0.25 0.08 0.02 0.00 0.10 0.21 29 E H H 82.85 15.21 12.85 27.62 91.93 -112.16 -59.12 -37.81 2.88 0.00 97.12 0.23 0.34 2.21 94.55 2.66 0.01 0.00 0.00 30 E H H 128.68 2.01 20.62 22.17 91.61 54.44 -63.80 -39.84 2.03 0.00 97.97 0.16 0.14 1.66 95.60 2.43 0.00 0.00 0.00 31 H H H 82.14 5.46 20.02 26.15 91.95 49.33 -65.93 -39.46 1.23 0.01 98.76 0.26 0.11 0.76 96.03 2.83 0.00 0.00 0.00 32 V H H 4.35 23.17 14.14 37.76 91.33 52.14 -63.03 -43.72 0.29 0.00 99.71 0.08 0.03 0.12 99.69 0.09 0.00 0.00 0.00 33 R H H 78.08 15.38 20.71 35.01 91.60 51.27 -62.04 -42.75 0.14 0.00 99.86 0.03 0.01 0.06 99.89 0.02 0.00 0.00 0.00 34 E H H 101.89 2.82 25.06 26.80 91.72 49.69 -64.32 -41.89 0.09 0.00 99.91 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 35 L H H 51.76 9.89 22.87 33.27 91.94 48.84 -65.00 -41.96 0.12 0.00 99.88 0.01 0.01 0.07 99.89 0.02 0.00 0.00 0.00 36 V H H 2.96 25.13 17.99 43.38 91.72 49.16 -63.57 -44.01 0.27 0.00 99.72 0.03 0.01 0.19 99.74 0.03 0.00 0.00 0.00 37 Y H H 70.70 15.12 21.14 35.50 92.05 49.51 -63.73 -41.20 1.29 0.01 98.71 0.11 0.08 1.04 98.62 0.13 0.01 0.00 0.00 38 S H H 60.26 3.07 23.65 25.79 92.18 49.48 -65.47 -41.28 6.89 0.01 93.09 0.33 0.37 6.02 92.98 0.28 0.01 0.00 0.01 39 D H H 52.38 9.17 21.49 31.09 94.24 43.26 -70.58 -41.05 9.21 0.03 90.75 0.46 0.82 7.92 90.23 0.48 0.05 0.01 0.02 40 I H H 9.95 20.59 16.28 36.98 93.29 45.29 -66.54 -43.16 11.05 0.19 88.76 0.98 2.11 8.48 86.19 1.27 0.75 0.05 0.16 41 G H H 15.82 11.83 15.47 28.65 92.48 50.87 -64.12 -41.93 13.43 0.19 86.38 1.89 1.87 10.12 81.81 3.86 0.25 0.08 0.11 42 S H H 74.34 1.99 18.56 19.80 93.67 48.13 -67.84 -39.78 16.26 0.14 83.61 1.38 1.81 13.27 77.40 5.80 0.20 0.06 0.09 43 K H H 121.47 4.47 16.81 22.22 95.66 43.65 -74.78 -35.76 22.31 0.15 77.54 1.10 2.53 19.26 71.86 4.87 0.22 0.06 0.11 44 H C T 68.61 11.26 12.89 25.17 99.71 30.85 -104.93 2.74 57.42 0.26 42.31 2.16 7.66 47.13 38.23 4.34 0.12 0.09 0.27 45 R C T 190.67 1.14 18.73 18.89 93.41 -120.64 59.67 37.03 99.37 0.03 0.60 15.67 4.73 79.15 0.24 0.17 0.00 0.02 0.02 46 V C C 26.42 16.66 9.95 26.72 120.47 143.47 -104.19 139.84 99.14 0.76 0.10 84.78 14.09 0.26 0.05 0.04 0.00 0.25 0.52 47 P C C 70.37 3.29 21.63 24.27 114.11 -104.50 -68.57 146.14 98.71 1.06 0.23 98.17 0.59 0.17 0.03 0.13 0.00 0.31 0.61 48 R H G 94.97 16.87 11.93 27.90 91.80 -120.71 -59.58 -32.05 8.20 0.19 91.61 0.84 0.88 4.87 0.35 92.91 0.00 0.15 0.01 49 T H G 99.01 2.79 19.76 23.18 90.07 64.86 -70.33 -15.31 7.80 0.23 91.97 0.41 0.66 5.26 0.27 93.18 0.00 0.21 0.00 50 K H G 86.00 9.51 18.20 28.65 94.64 60.43 -93.78 -2.24 8.19 0.37 91.44 0.92 0.97 4.56 0.31 92.91 0.00 0.32 0.01 51 I E E 8.56 25.38 10.74 35.98 120.15 89.43 -102.35 132.78 22.54 77.41 0.05 19.58 2.84 0.10 0.01 0.04 0.00 76.97 0.46 52 W E E 125.24 5.10 25.89 31.23 122.20 -168.81 -120.74 132.46 3.27 96.72 0.01 3.01 0.11 0.01 0.00 0.00 0.00 96.76 0.10 53 I E E 41.63 20.42 12.61 32.42 110.30 -131.70 -83.37 119.96 1.14 98.86 0.00 1.08 0.02 0.00 0.00 0.00 0.00 98.85 0.04 54 E E E 107.88 4.15 19.10 24.24 99.93 176.65 -92.71 -33.82 3.76 96.23 0.01 2.68 0.70 0.05 0.00 0.01 0.00 96.53 0.03 55 S E E 52.33 3.79 22.47 26.62 140.59 -4.06 -158.86 158.09 2.91 97.08 0.01 2.29 0.31 0.04 0.00 0.01 0.00 97.33 0.02 56 I E E 52.85 21.16 10.72 30.28 125.75 -157.26 -132.65 132.19 2.44 97.55 0.01 2.27 0.11 0.01 0.00 0.00 0.00 97.57 0.02 57 E E E 100.25 3.73 22.70 26.79 128.20 -175.94 -131.75 144.41 1.14 98.86 0.00 1.03 0.04 0.00 0.00 0.00 0.00 98.91 0.02 58 E E E 101.25 11.84 15.00 27.27 116.66 -130.19 -92.26 131.93 2.69 97.31 0.00 2.58 0.08 0.00 0.00 0.00 0.00 97.22 0.11 59 I E E 37.95 13.36 12.54 27.17 126.95 -172.95 -120.62 146.44 48.23 51.77 0.00 47.78 0.51 0.01 0.00 0.00 0.00 51.07 0.61 60 K C C 120.37 2.41 21.22 22.54 114.59 -105.22 -73.43 143.56 99.50 0.50 0.01 99.41 0.21 0.01 0.00 0.00 0.00 0.35 0.02 61 P H G 45.73 17.17 9.90 26.36 91.65 -116.45 -57.18 -34.00 10.48 0.06 89.46 1.19 0.89 6.81 2.21 88.85 0.00 0.05 0.00 62 E H G 149.86 1.41 17.35 18.53 90.51 61.62 -69.00 -19.61 9.67 0.05 90.28 0.49 0.69 7.34 2.00 89.44 0.00 0.03 0.00 63 E H G 121.75 3.06 16.45 20.11 94.18 55.09 -88.35 -7.23 11.06 0.11 88.84 1.38 1.35 6.81 1.83 88.56 0.00 0.07 0.01 64 A C C 13.99 20.68 6.36 24.93 115.53 101.40 -80.35 134.27 94.75 0.86 4.39 85.63 7.37 1.88 2.08 1.92 0.00 0.29 0.82 65 E C C 153.03 1.25 18.84 19.20 100.05 -171.39 -98.67 -14.20 97.99 0.90 1.11 74.02 22.03 1.68 0.57 0.50 0.00 0.25 0.94 66 D C C 52.46 9.89 11.92 23.41 111.80 91.55 -87.19 119.94 99.35 0.35 0.30 63.04 36.03 0.26 0.27 0.04 0.00 0.07 0.28 67 P H H 84.40 4.28 15.56 21.42 92.22 -149.64 -61.78 -33.32 6.02 0.01 93.97 0.58 0.94 4.44 93.18 0.85 0.01 0.00 0.00 68 V H H 74.37 5.01 17.72 23.66 92.08 54.46 -64.63 -40.93 3.48 0.02 96.50 0.30 0.35 2.86 95.53 0.93 0.01 0.01 0.01 69 V H H 19.61 15.88 14.06 30.64 92.58 48.15 -65.57 -41.74 1.65 0.08 98.28 0.34 0.17 1.06 97.30 1.04 0.00 0.07 0.01 70 R H H 89.71 10.10 15.85 26.75 91.71 51.81 -63.22 -41.66 0.91 0.04 99.05 0.29 0.09 0.46 98.30 0.82 0.00 0.04 0.00 71 R H H 138.34 2.26 19.53 21.23 92.21 50.15 -64.87 -40.65 2.30 0.05 97.65 0.46 0.20 1.50 96.56 1.22 0.01 0.04 0.01 72 L H H 62.64 8.43 16.48 26.13 92.67 49.59 -67.04 -38.17 3.91 0.04 96.05 0.60 0.34 2.69 94.77 1.56 0.01 0.02 0.01 73 S H H 25.83 15.35 12.72 28.15 93.55 52.75 -70.33 -31.19 13.45 0.11 86.45 2.27 1.41 9.48 84.69 2.02 0.02 0.05 0.06 74 L H H 96.24 5.64 14.77 21.49 96.31 55.00 -77.75 -19.70 41.35 0.42 58.23 6.67 4.55 29.79 55.90 2.63 0.04 0.17 0.24 75 E C C 128.67 3.12 12.41 16.93 101.93 71.52 -78.21 3.93 68.37 0.57 31.06 37.56 1.76 26.86 31.30 1.93 0.00 0.22 0.36 76 L C C 92.60 8.07 11.60 20.69 103.85 85.89 -81.50 16.21 99.94 0.02 0.04 99.86 0.05 0.06 0.02 0.00 0.00 0.01 0.00