# 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 R C C 131.39 7.50 10.97 19.86 116.72 -142.48 -86.93 141.48 99.83 0.15 0.02 99.74 0.12 0.03 0.01 0.00 0.00 0.06 0.04 1 K C C 121.92 4.54 9.77 16.08 112.59 -114.05 -81.35 133.11 94.95 1.28 3.77 93.81 0.66 1.58 1.35 1.35 0.00 0.47 0.78 2 S C T 85.17 2.87 9.78 14.33 101.11 -134.03 -70.02 -21.13 77.20 1.76 21.04 29.28 12.47 35.46 2.56 18.53 0.00 0.90 0.80 3 D C T 120.56 1.58 11.68 13.96 97.54 44.91 -77.44 7.31 76.63 1.84 21.53 21.02 16.36 39.41 2.46 19.01 0.00 1.00 0.75 4 I C C 81.48 8.33 10.32 19.74 104.40 91.23 -90.54 -5.97 74.20 5.59 20.22 32.68 25.11 17.07 3.35 15.98 0.02 2.33 3.46 5 H C C 86.34 9.47 10.98 21.64 118.49 80.17 -106.36 131.88 92.11 3.08 4.81 52.78 34.13 5.34 1.85 2.74 0.00 1.33 1.83 6 P C C 61.15 8.40 12.90 22.67 113.20 -101.61 -69.73 152.04 88.85 1.38 9.78 55.49 12.14 20.70 2.02 8.26 0.00 0.75 0.64 7 E C C 125.84 4.35 16.07 21.71 108.49 -115.00 -79.09 130.54 84.47 3.81 11.72 50.95 14.13 18.92 2.40 9.86 0.00 2.11 1.63 8 F C C 94.86 11.80 12.27 24.18 110.95 -148.57 -88.53 124.67 81.18 8.01 10.81 46.37 21.77 12.91 2.73 8.04 0.01 4.24 3.93 9 R C C 83.95 12.10 11.86 24.43 112.94 -86.02 -100.11 116.40 83.90 8.85 7.25 63.86 12.14 7.54 1.80 5.80 0.00 5.87 2.99 10 E C T 133.09 3.53 16.05 20.76 97.08 -147.01 -73.05 -26.74 86.02 9.47 4.52 20.80 29.30 36.74 0.56 3.95 0.01 7.05 1.59 11 D C T 100.32 3.66 17.56 21.72 103.70 38.51 -98.05 42.16 81.82 14.81 3.37 23.95 23.84 34.36 0.32 3.19 0.00 13.47 0.87 12 A C E 16.39 19.18 10.63 29.39 121.64 141.10 -96.44 145.06 53.69 46.12 0.19 46.14 5.61 0.31 0.03 0.15 0.00 47.31 0.46 13 K E E 90.88 7.04 22.37 29.98 120.44 -144.12 -110.30 134.42 3.48 96.50 0.02 3.22 0.14 0.01 0.01 0.01 0.00 96.48 0.14 14 V E E 22.39 19.28 15.16 34.71 120.36 -159.70 -113.81 129.01 0.29 99.71 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.71 0.01 15 Y E E 77.80 7.99 20.54 29.76 118.17 -164.68 -112.20 126.85 0.72 99.28 0.00 0.64 0.02 0.00 0.00 0.00 0.00 99.31 0.02 16 C E E 32.10 15.49 12.62 28.22 120.05 -174.20 -119.47 129.08 27.34 72.58 0.08 22.70 3.27 0.52 0.01 0.07 0.00 73.15 0.29 17 N C S 93.54 5.68 16.73 23.13 97.96 -31.59 32.97 41.40 80.30 17.96 1.74 12.93 36.44 31.98 0.09 1.74 0.00 15.80 1.02 18 G C T 47.55 5.86 14.46 21.13 97.82 -65.69 76.68 -11.32 96.64 1.23 2.13 3.15 46.47 47.06 0.06 2.20 0.00 0.79 0.26 19 E C S 139.73 2.20 16.05 18.37 102.01 56.05 -99.05 -19.63 93.93 4.30 1.77 7.76 50.61 35.75 0.07 1.86 0.00 3.48 0.47 20 L E E 71.40 8.76 13.33 23.56 121.41 67.22 -110.95 133.50 36.06 63.78 0.16 31.99 2.76 0.44 0.03 0.12 0.00 64.08 0.58 21 V E E 73.07 10.39 14.10 25.73 124.64 -168.63 -125.32 134.74 3.58 96.39 0.02 3.30 0.18 0.02 0.01 0.01 0.00 96.36 0.12 22 M E E 64.26 10.94 16.31 28.43 127.34 -172.66 -126.68 140.08 0.70 99.30 0.01 0.70 0.03 0.01 0.00 0.00 0.00 99.22 0.04 23 T E E 76.22 7.94 18.20 27.33 120.62 -151.29 -107.91 133.99 1.00 98.99 0.01 0.97 0.04 0.01 0.00 0.00 0.00 98.91 0.06 24 T E E 37.49 14.78 14.10 29.25 128.74 -176.35 -130.68 148.58 13.81 86.13 0.06 12.26 1.04 0.16 0.01 0.04 0.00 86.22 0.27 25 G C E 41.40 5.63 18.72 25.12 119.98 -157.52 -131.37 162.87 57.06 42.74 0.20 37.51 17.19 2.06 0.02 0.21 0.00 42.46 0.56 26 G C C 27.50 12.15 12.84 25.37 133.55 150.65 -143.21 173.72 77.62 21.91 0.47 40.81 32.70 4.94 0.06 0.50 0.00 19.11 1.86 27 T C S 102.25 3.46 15.81 20.32 99.56 -125.12 -94.48 -4.18 88.67 10.88 0.45 41.71 43.28 4.36 0.07 0.46 0.00 8.01 2.10 28 Q C S 90.36 6.74 13.11 21.55 119.34 91.53 -88.09 144.90 90.08 9.30 0.62 39.91 47.97 2.80 0.08 0.61 0.00 7.19 1.45 29 K C S 143.86 3.84 15.85 20.79 95.77 -127.84 -70.67 -28.09 91.68 7.95 0.37 29.70 57.39 4.24 0.03 0.40 0.00 7.78 0.46 30 D E E 82.74 5.81 16.57 23.53 128.13 19.50 -134.27 140.77 39.00 60.52 0.48 31.22 5.55 1.36 0.05 0.49 0.00 60.82 0.51 31 Y E E 57.20 16.26 13.05 29.60 126.63 -171.10 -128.80 137.68 4.80 95.18 0.02 4.51 0.20 0.01 0.00 0.01 0.00 94.89 0.38 32 T E E 73.50 6.37 20.95 28.06 116.45 -147.56 -106.17 127.45 2.49 97.50 0.00 2.38 0.08 0.01 0.00 0.00 0.00 97.33 0.20 33 V E E 25.70 19.12 13.22 32.54 119.38 -166.68 -111.98 129.30 15.46 84.48 0.06 14.98 0.45 0.05 0.02 0.03 0.00 84.12 0.35 34 E C E 100.15 5.95 21.76 28.05 109.15 -153.42 -94.10 110.79 53.68 45.96 0.36 35.12 17.75 0.80 0.12 0.25 0.00 45.36 0.60 35 V C C 41.61 14.77 15.56 30.71 124.90 125.14 -122.69 134.85 53.65 45.83 0.52 42.60 10.01 0.68 0.25 0.36 0.00 36.98 9.12 36 W C C 83.97 9.77 18.20 28.99 122.21 -153.31 -108.76 140.66 82.62 16.96 0.42 80.76 1.91 0.41 0.16 0.25 0.00 12.42 4.10 37 S C T 50.14 11.44 14.74 27.01 93.01 -132.34 -63.14 -27.18 73.52 1.97 24.51 7.76 8.07 56.39 1.46 24.27 0.01 1.15 0.91 38 G C T 47.15 4.65 17.48 22.95 91.97 63.45 -71.37 -18.87 77.36 0.34 22.29 1.30 5.02 70.53 0.99 21.80 0.00 0.19 0.17 39 N C T 76.67 8.01 15.72 24.79 100.84 42.94 -104.98 -1.22 73.29 1.01 25.70 4.75 11.14 56.08 1.87 25.02 0.01 0.55 0.58 40 H C C 44.38 14.02 11.67 26.50 118.70 93.41 -92.64 134.24 94.76 2.57 2.68 58.66 34.33 1.32 1.84 0.73 0.00 0.62 2.49 41 P H G 68.24 7.04 16.37 24.93 93.10 -134.57 -63.76 -26.43 39.14 0.35 60.51 3.07 3.58 30.92 16.26 45.77 0.02 0.20 0.20 42 F H G 100.43 8.44 14.85 24.26 93.05 61.23 -75.30 -20.21 35.38 0.77 63.85 2.69 3.61 27.79 18.27 46.71 0.07 0.48 0.38 43 Y H G 100.58 10.03 12.43 23.21 97.51 64.51 -80.89 -17.96 33.42 2.97 63.61 7.92 6.86 19.46 18.17 44.54 0.13 1.95 0.97 44 L C T 102.12 4.89 13.16 19.20 102.07 58.52 -90.97 2.97 59.10 6.58 34.32 14.87 15.29 29.41 17.04 15.78 0.78 3.38 3.46 45 G C T 51.52 3.32 13.04 17.68 104.81 -89.28 81.75 -8.10 85.57 2.75 11.68 22.02 24.54 39.77 4.50 6.39 0.02 1.37 1.38 46 N C C 95.22 4.41 12.02 17.89 109.53 83.42 -96.04 104.36 84.75 2.90 12.35 41.55 22.22 21.37 5.22 6.73 0.01 1.34 1.57 47 R C C 143.29 6.31 11.37 19.17 98.72 -158.71 -75.15 -17.12 62.37 3.91 33.72 29.15 17.36 16.82 18.74 14.02 0.09 1.91 1.91 48 S C C 77.35 3.00 13.94 17.94 96.98 71.26 -73.64 -26.06 55.59 4.26 40.15 24.80 13.58 18.18 22.65 16.66 0.12 2.40 1.61 49 A C H 55.75 7.42 12.29 20.88 97.88 59.89 -78.27 -22.11 45.79 9.51 44.70 24.07 10.25 12.72 26.64 17.33 0.20 6.47 2.33 50 L C H 77.17 9.89 12.34 22.96 102.88 66.43 -82.13 -16.23 43.61 15.56 40.84 25.79 9.83 9.45 27.78 12.31 0.24 11.12 3.48 51 L C C 99.38 5.43 15.05 21.58 103.25 60.83 -84.45 6.58 49.87 14.51 35.62 30.88 10.91 9.21 26.41 8.70 0.18 10.46 3.25 52 L C C 72.04 10.94 11.24 22.60 111.19 101.23 -92.28 119.14 64.89 9.02 26.09 40.57 17.05 7.49 21.99 4.71 0.08 5.51 2.59 53 D C C 80.21 4.56 14.79 20.24 108.63 -107.40 -83.93 114.91 79.62 3.43 16.95 63.84 9.83 4.52 16.55 2.19 0.00 1.82 1.25 54 A H H 67.95 5.30 12.47 19.37 95.06 -119.19 -62.98 -35.41 15.51 0.26 84.23 5.15 3.55 7.64 81.21 2.18 0.04 0.12 0.11 55 D H H 103.52 1.55 16.54 17.31 93.65 51.30 -66.49 -37.39 13.12 0.25 86.63 3.64 2.23 7.86 83.90 2.10 0.04 0.14 0.09 56 Q H H 68.95 7.92 15.65 24.71 93.35 50.88 -67.13 -40.16 5.71 0.27 94.01 2.80 1.01 2.63 91.62 1.69 0.02 0.18 0.06 57 V H H 26.00 14.46 13.25 28.48 92.42 51.11 -64.65 -42.40 2.14 0.16 97.70 1.10 0.32 0.90 96.97 0.58 0.00 0.11 0.02 58 E H H 95.44 3.03 18.80 21.79 91.79 51.02 -63.83 -41.63 1.58 0.12 98.30 0.71 0.20 0.72 97.84 0.43 0.00 0.08 0.01 59 K H H 103.47 2.55 18.99 21.03 91.92 50.16 -64.58 -41.44 1.75 0.12 98.13 0.57 0.19 1.01 97.56 0.57 0.00 0.08 0.01 60 F H H 33.12 13.35 13.90 28.50 92.08 50.38 -64.63 -41.77 1.82 0.10 98.08 0.51 0.19 1.13 97.52 0.57 0.01 0.07 0.01 61 R H H 98.09 10.06 14.49 25.29 92.00 52.35 -63.77 -39.23 1.93 0.05 98.02 0.49 0.17 1.20 97.46 0.62 0.00 0.03 0.01 62 K H H 150.10 1.12 16.89 16.86 92.15 51.21 -66.31 -37.96 3.73 0.04 96.23 0.48 0.26 2.92 95.14 1.16 0.01 0.02 0.01 63 K H H 122.97 3.38 15.52 19.62 96.14 44.18 -75.55 -35.65 6.63 0.04 93.32 0.44 0.42 5.65 92.62 0.82 0.02 0.02 0.02 64 Y H H 84.15 10.99 11.75 23.42 102.98 29.79 -107.09 -5.43 21.83 0.35 77.81 3.66 3.92 15.09 75.75 1.14 0.10 0.12 0.23 65 G C T 38.40 4.92 15.03 21.20 106.99 -151.38 58.11 -98.03 65.31 1.23 33.46 24.28 10.99 29.90 12.73 20.84 0.01 0.63 0.62 66 E C G 117.93 4.13 15.95 20.69 101.09 20.55 -80.67 17.44 55.86 2.22 41.93 20.90 10.12 25.01 16.47 25.37 0.03 1.31 0.80 67 L H G 52.21 13.79 11.04 24.99 96.36 99.68 -75.25 -18.84 42.85 2.18 54.97 29.37 6.08 7.44 23.82 31.32 0.00 1.42 0.54 68 T H H 74.79 6.97 14.34 22.48 94.97 76.07 -68.51 -32.42 41.01 3.27 55.72 24.15 7.00 9.53 28.82 27.51 0.02 2.28 0.70 69 Q H H 117.11 3.19 15.85 19.64 95.47 58.11 -74.09 -25.86 36.65 6.93 56.41 18.09 7.12 11.40 28.91 27.95 0.07 5.38 1.08 70 I H H 72.86 10.22 12.77 23.72 98.86 53.77 -80.59 -20.38 36.36 13.08 50.56 19.89 7.55 9.88 28.70 21.75 0.15 10.09 1.99 71 M C C 81.63 11.23 12.29 23.84 106.12 62.99 -88.17 42.18 47.94 18.32 33.74 27.05 10.42 11.53 19.66 14.07 0.19 14.19 2.90 72 E C C 126.37 3.77 15.67 20.55 110.53 106.80 -89.20 116.29 57.35 19.44 23.22 33.83 12.58 12.14 11.57 11.36 0.18 14.52 3.83 73 I C C 76.27 10.68 10.89 22.45 115.33 -149.89 -97.30 127.17 86.96 11.39 1.65 61.70 24.71 1.38 1.13 0.64 0.00 8.54 1.91 74 P C C 72.13 6.77 13.05 21.41 111.87 -117.46 -68.62 145.02 85.03 11.53 3.44 77.29 4.79 2.52 1.82 1.40 0.00 10.89 1.30 75 V C C 95.80 5.75 11.77 18.92 115.91 -143.73 -95.91 130.00 69.67 24.79 5.54 56.25 8.30 4.12 3.15 2.66 0.02 19.21 6.27 76 L C C 88.88 7.98 8.57 17.75 115.15 -145.42 -94.75 130.90 73.37 22.01 4.62 61.29 7.32 3.67 2.53 2.25 0.00 18.21 4.72 77 K C C 162.48 1.51 11.51 13.83 113.69 -149.71 -100.10 128.64 79.80 14.81 5.39 45.72 15.86 19.31 2.02 3.03 0.01 11.85 2.21 78 G C S 54.26 2.15 11.83 14.86 119.78 11.36 98.04 -168.00 83.90 10.03 6.07 28.35 29.95 26.91 1.55 3.98 0.01 7.90 1.35 79 E C C 138.25 2.68 11.75 15.72 114.47 -14.47 -89.36 135.44 73.36 19.93 6.71 52.04 13.63 7.46 2.01 4.63 0.00 18.36 1.87 80 I C C 97.76 7.53 9.35 18.27 114.57 -140.56 -92.80 130.00 58.74 36.80 4.47 47.67 7.00 3.10 2.25 2.44 0.01 32.00 5.52 81 I C C 105.76 4.87 11.26 17.86 114.09 -159.18 -101.35 126.93 66.47 31.40 2.13 51.75 11.66 2.23 1.17 1.18 0.01 26.46 5.53 82 L C C 100.30 5.51 10.46 17.75 117.43 -148.07 -100.64 132.54 83.73 15.75 0.52 64.54 18.31 0.97 0.26 0.29 0.00 13.72 1.90 83 P C C 77.61 5.09 10.46 17.36 115.50 -107.95 -67.69 151.34 96.54 2.56 0.90 88.94 6.67 1.10 0.45 0.37 0.00 2.01 0.46 84 P C C 95.57 3.77 10.02 15.55 111.00 -102.68 -66.95 147.14 85.02 2.42 12.56 68.12 7.61 9.51 4.69 7.58 0.00 1.50 0.99 85 K C C 145.79 2.82 8.75 13.41 113.18 -114.11 -82.45 136.10 78.94 4.67 16.39 53.27 14.61 11.09 7.34 8.92 0.01 2.74 2.02 86 K C C 146.26 2.79 8.13 12.67 111.61 -122.28 -86.29 133.68 75.19 5.38 19.44 55.79 12.21 7.12 10.33 9.21 0.01 3.28 2.05 87 K C C 151.91 2.11 8.49 12.18 110.53 -138.43 -88.16 120.70 74.70 4.95 20.36 56.21 11.21 7.16 13.35 7.19 0.01 3.16 1.71 88 S C C 81.98 2.67 7.84 12.25 112.20 -127.87 -88.08 134.45 75.08 5.12 19.80 56.11 10.48 8.32 12.56 7.43 0.01 3.41 1.68 89 K C C 151.16 2.17 7.60 11.38 109.94 -126.25 -87.12 119.55 73.00 6.65 20.36 52.92 11.03 8.72 12.66 8.00 0.01 4.41 2.24 90 A C C 84.06 2.23 6.94 10.88 111.00 -131.28 -87.50 127.51 74.34 6.74 18.92 47.26 15.36 11.89 10.51 8.34 0.01 4.61 2.02 91 K C C 159.35 1.51 6.75 9.77 111.11 -125.83 -87.27 125.86 76.82 7.36 15.82 46.80 15.72 14.66 7.39 8.06 0.01 5.21 2.14 92 K C C 156.82 1.72 6.81 10.23 112.17 -132.78 -88.15 128.59 86.59 5.10 8.31 75.33 2.62 9.39 4.09 3.27 0.00 3.62 1.69 93 K C C 155.49 2.03 9.41 13.08 111.43 -131.36 -86.15 128.77 99.82 0.13 0.05 99.62 0.15 0.11 0.02 0.01 0.00 0.07 0.02