# 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 118.85 4.77 10.48 16.87 115.86 -158.28 -94.66 128.68 99.73 0.17 0.10 99.54 0.17 0.11 0.05 0.01 0.00 0.09 0.04 1 A C C 80.15 3.09 8.14 13.03 112.82 -128.83 -87.44 136.81 86.44 3.03 10.53 80.68 1.47 5.88 5.65 3.21 0.00 2.03 1.07 2 Q C C 140.22 1.83 7.49 10.95 112.61 -135.28 -90.86 124.29 81.29 5.42 13.29 57.70 13.02 10.68 6.90 6.31 0.01 3.48 1.91 3 Q C C 134.31 2.28 7.73 11.79 113.38 -142.63 -93.98 126.50 80.67 6.48 12.85 62.07 10.70 7.71 6.94 5.96 0.01 4.25 2.36 4 R C C 164.38 2.68 7.90 12.55 114.21 -149.62 -94.71 129.34 83.41 6.02 10.57 67.27 10.30 5.43 7.03 3.74 0.00 3.67 2.56 5 R C C 170.49 2.36 8.01 12.23 113.41 -146.37 -92.32 130.23 85.70 4.15 10.16 64.47 10.52 10.65 5.97 4.08 0.00 2.30 2.01 6 G C C 55.50 2.57 9.19 13.42 111.49 -31.77 -100.39 138.75 89.96 1.66 8.38 47.00 18.85 24.59 3.27 4.64 0.00 0.82 0.83 7 G C C 52.13 3.01 9.57 14.20 117.72 -98.18 -121.49 172.29 89.90 1.77 8.33 47.02 24.17 18.99 2.76 5.30 0.00 0.84 0.93 8 R C C 170.33 2.44 9.55 13.66 113.42 -90.22 -90.37 134.22 87.97 3.30 8.72 61.81 18.62 7.42 4.12 4.53 0.00 1.62 1.87 9 K C C 143.39 3.08 9.57 14.59 114.60 -139.53 -91.52 134.54 87.60 3.85 8.55 68.76 13.12 5.46 4.48 4.08 0.00 2.07 2.04 10 R C C 154.88 4.00 9.42 15.46 113.62 -126.63 -85.52 134.61 87.43 3.43 9.13 71.79 9.17 6.35 3.73 5.33 0.00 1.98 1.63 11 R C C 145.56 5.01 10.80 17.58 113.26 -135.28 -89.24 133.90 89.12 3.40 7.47 58.61 20.09 10.73 2.48 4.71 0.00 2.10 1.28 12 K C C 137.73 4.20 13.89 19.61 111.91 -141.18 -90.99 119.69 86.40 8.14 5.47 60.31 18.20 8.10 1.87 3.42 0.00 5.61 2.49 13 V C C 63.71 10.49 13.90 25.32 121.69 -152.95 -105.40 140.73 80.61 17.64 1.76 68.31 10.21 1.10 1.24 0.71 0.00 8.37 10.06 14 D C C 33.76 13.94 14.74 29.46 111.25 -118.62 -80.23 128.43 90.38 8.32 1.31 86.24 3.90 0.44 1.22 0.22 0.00 3.67 4.32 15 Y H H 90.94 8.67 19.26 29.17 93.16 -138.11 -63.38 -35.70 9.33 0.16 90.51 1.10 1.51 7.13 85.99 3.96 0.15 0.08 0.08 16 I H H 24.61 16.60 15.29 32.37 92.29 53.13 -65.38 -40.75 8.77 0.12 91.10 0.65 0.95 7.32 84.08 6.72 0.15 0.07 0.05 17 A H H 32.59 11.19 15.11 27.31 93.29 49.71 -67.64 -39.19 6.28 0.09 93.63 0.63 0.69 4.88 85.41 8.22 0.06 0.06 0.03 18 A H H 65.22 4.76 16.47 22.27 91.96 54.89 -67.51 -29.92 12.22 0.10 87.68 0.90 1.24 10.17 80.57 6.89 0.11 0.05 0.06 19 N C T 78.84 6.83 14.41 22.72 96.47 44.53 -93.40 6.11 78.90 0.13 20.97 1.66 4.31 72.46 18.26 3.10 0.01 0.05 0.15 20 H C T 143.79 3.30 16.98 21.48 94.25 -123.54 58.57 38.08 96.60 0.09 3.30 7.64 3.70 85.70 2.03 0.83 0.00 0.05 0.05 21 I C C 39.22 16.37 9.48 25.65 112.68 164.24 -90.47 121.82 91.79 3.37 4.84 86.69 3.06 2.18 1.44 3.05 0.00 1.68 1.91 22 E C C 133.43 3.33 18.56 22.83 100.52 -173.76 -94.87 -19.10 92.15 2.70 5.15 50.56 33.61 7.36 0.85 5.14 0.00 1.55 0.94 23 Y C C 127.07 5.75 19.98 26.66 125.86 38.02 -127.96 135.46 84.86 9.66 5.48 55.97 21.23 7.02 0.96 5.47 0.00 5.53 3.80 24 I C C 21.73 22.18 11.91 33.47 120.30 -169.09 -113.70 129.04 92.16 6.57 1.26 87.76 3.90 0.62 0.48 0.75 0.00 3.48 3.02 25 D C C 63.43 6.41 22.46 29.27 111.14 -152.16 -100.50 115.42 98.01 1.53 0.46 96.25 1.56 0.42 0.13 0.20 0.00 0.67 0.76 26 Y C T 57.30 19.50 12.82 31.93 93.19 -157.68 -69.79 -16.12 96.09 0.15 3.76 1.83 4.68 89.60 0.42 3.33 0.00 0.07 0.08 27 K C T 136.54 3.79 18.53 23.24 92.53 63.75 -81.66 -10.94 96.45 0.12 3.43 1.55 5.43 89.47 0.32 3.12 0.00 0.06 0.05 28 D C C 60.11 8.19 15.01 24.82 106.77 83.10 -99.90 98.16 96.60 1.69 1.71 83.41 11.50 1.04 0.70 1.04 0.00 0.48 1.83 29 T H H 58.16 13.11 12.80 26.55 93.71 -176.32 -64.77 -32.21 8.57 0.06 91.37 2.29 1.32 5.07 84.17 7.08 0.01 0.03 0.03 30 E H H 128.29 1.80 19.67 20.76 91.51 59.17 -64.24 -38.49 3.22 0.01 96.76 0.24 0.26 2.66 88.58 8.24 0.01 0.01 0.00 31 L H H 28.70 12.46 16.65 30.51 91.91 50.83 -65.22 -41.02 1.39 0.01 98.60 0.12 0.10 1.11 90.82 7.84 0.00 0.01 0.00 32 L H H 6.29 24.53 13.32 37.82 91.35 52.53 -64.01 -39.38 1.27 0.01 98.72 0.13 0.10 0.94 91.30 7.52 0.00 0.00 0.00 33 K H H 113.18 8.04 20.30 29.12 90.99 56.04 -64.09 -33.09 5.99 0.03 93.98 0.30 0.29 5.00 72.77 21.59 0.01 0.02 0.01 34 R H H 131.96 4.59 23.35 28.20 91.93 55.96 -71.71 -26.87 23.65 0.05 76.30 0.44 0.82 22.73 54.86 21.05 0.04 0.02 0.04 35 F H H 15.59 21.15 16.34 37.90 97.04 47.13 -96.60 -8.03 40.90 0.29 58.82 1.55 2.75 34.79 42.89 17.54 0.11 0.16 0.21 36 I E B 25.09 19.35 14.38 33.80 122.40 87.59 -100.46 141.12 5.66 94.09 0.25 3.07 0.80 0.03 0.25 0.02 0.00 9.11 86.73 37 S C C 30.23 9.42 15.02 26.20 123.43 -132.83 -80.41 172.24 95.56 4.23 0.21 95.80 0.42 0.17 0.07 0.07 0.00 2.64 0.83 38 E C T 159.32 1.93 14.78 17.56 90.50 -90.09 -63.80 -21.37 98.09 0.87 1.04 0.54 3.82 94.06 0.10 0.74 0.00 0.53 0.20 39 R C T 163.33 1.71 17.16 18.33 92.97 55.34 -87.83 1.80 98.70 0.23 1.07 0.27 3.58 94.98 0.05 0.93 0.00 0.12 0.06 40 G C S 17.21 16.31 12.86 29.01 95.61 -106.62 82.16 10.11 99.11 0.46 0.43 11.48 86.21 1.60 0.03 0.30 0.00 0.21 0.17 41 K C C 99.06 5.26 22.19 28.30 121.83 135.60 -91.42 146.51 93.51 6.38 0.12 75.53 17.97 0.30 0.06 0.06 0.00 3.22 2.85 42 I E B 27.83 21.24 14.94 35.95 113.54 -112.69 -79.38 132.62 10.82 89.05 0.13 7.46 0.87 0.03 0.13 0.01 0.00 10.73 80.77 43 L C C 35.83 14.53 17.31 32.65 115.16 -115.70 -74.46 140.01 95.30 4.53 0.17 94.02 1.68 0.12 0.10 0.04 0.00 3.46 0.58 44 P C C 53.10 8.59 19.58 29.09 113.16 -105.14 -66.60 147.43 91.43 2.71 5.87 86.84 3.16 1.71 4.29 1.30 0.00 1.45 1.26 45 R H H 115.66 12.74 13.43 26.29 92.94 -119.03 -61.33 -28.14 45.28 1.49 53.23 15.31 10.37 20.06 30.48 22.03 0.11 0.73 0.91 46 R H H 167.53 2.14 17.77 20.32 91.96 64.02 -70.04 -22.86 43.45 2.56 53.99 13.60 9.95 20.10 32.15 21.29 0.33 1.36 1.21 47 V H H 65.53 10.19 14.77 25.70 97.92 54.54 -88.15 -14.45 44.60 4.48 50.92 17.35 12.24 16.50 32.48 16.68 0.46 2.34 1.96 48 T C C 40.60 16.28 12.98 28.44 102.20 61.49 -88.95 -6.36 63.20 4.28 32.52 29.38 16.85 18.32 26.07 5.08 0.23 1.86 2.23 49 G C C 50.11 4.50 19.78 24.69 97.60 -118.53 80.42 8.02 91.34 3.24 5.42 37.27 33.08 21.82 2.76 2.12 0.01 1.64 1.29 50 T C C 34.78 16.69 11.50 27.83 119.86 115.35 -92.12 147.98 89.85 6.26 3.89 50.94 33.11 5.43 2.73 1.16 0.01 2.32 4.30 51 G C C 29.59 5.07 18.84 24.46 121.11 -110.37 -77.53 169.07 93.83 3.21 2.96 85.44 6.73 1.42 2.56 0.57 0.00 1.22 2.07 52 A H H 68.21 6.53 15.02 22.93 91.81 -99.10 -60.68 -37.73 2.96 0.02 97.02 0.83 0.65 1.29 96.83 0.39 0.00 0.00 0.00 53 K H H 135.24 1.87 19.88 21.05 91.82 53.13 -64.19 -40.91 1.21 0.00 98.79 0.19 0.12 0.77 98.54 0.37 0.00 0.00 0.00 54 N H H 39.59 12.79 17.32 30.78 92.19 48.46 -66.38 -40.23 0.62 0.00 99.37 0.14 0.06 0.36 99.06 0.38 0.00 0.00 0.00 55 Q H H 34.91 17.76 16.20 33.58 91.62 52.20 -62.76 -42.09 0.22 0.00 99.78 0.04 0.01 0.12 99.73 0.10 0.00 0.00 0.00 56 R H H 132.43 3.46 23.23 26.69 91.61 50.48 -63.90 -40.92 0.21 0.00 99.79 0.03 0.01 0.13 99.79 0.05 0.00 0.00 0.00 57 K H H 95.86 6.28 23.34 29.85 91.65 49.48 -64.70 -41.28 0.16 0.00 99.84 0.02 0.01 0.10 99.83 0.04 0.00 0.00 0.00 58 L H H 10.46 22.48 18.23 40.57 92.22 49.84 -65.24 -42.41 0.13 0.00 99.87 0.02 0.01 0.09 99.87 0.03 0.00 0.00 0.00 59 T H H 38.15 13.52 22.16 35.48 91.63 51.25 -63.18 -42.47 0.13 0.00 99.87 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 60 I H H 83.32 3.15 25.65 27.99 91.45 49.14 -63.85 -42.56 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 61 A H H 16.03 13.29 21.14 35.50 91.69 49.96 -64.04 -42.85 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 62 I H H 12.33 21.94 18.80 40.43 91.99 49.53 -63.88 -42.98 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 63 K H H 99.20 6.63 23.51 30.52 91.46 50.68 -63.25 -41.83 0.16 0.00 99.84 0.01 0.01 0.11 99.84 0.02 0.00 0.00 0.00 64 R H H 115.12 3.85 23.37 26.89 91.74 49.54 -64.51 -41.85 0.24 0.00 99.76 0.02 0.01 0.16 99.75 0.05 0.00 0.00 0.00 65 A H H 10.12 15.55 15.35 32.33 91.74 50.99 -63.57 -41.94 0.35 0.00 99.65 0.04 0.02 0.22 99.56 0.15 0.00 0.00 0.00 66 R H H 90.67 11.52 16.33 28.16 91.82 51.05 -64.25 -40.64 0.71 0.00 99.29 0.08 0.03 0.51 99.05 0.32 0.00 0.00 0.00 67 I H H 114.86 2.36 17.00 19.57 92.17 49.88 -66.26 -35.26 1.88 0.01 98.11 0.10 0.09 1.65 97.78 0.36 0.01 0.00 0.00 68 M H H 108.25 4.13 14.39 19.72 93.91 50.68 -83.74 -5.93 27.76 0.05 72.18 0.27 0.62 28.61 69.40 1.00 0.05 0.01 0.04 69 G C T 50.81 4.14 14.96 20.36 96.80 -102.94 79.70 9.36 82.00 0.03 17.97 0.42 1.39 79.70 17.76 0.68 0.00 0.01 0.03 70 L C T 80.25 7.84 14.33 23.40 98.18 113.57 -87.44 -18.44 88.30 0.75 10.95 9.56 27.56 50.38 9.55 2.00 0.01 0.27 0.67 71 L C S 54.82 13.10 11.06 24.46 121.55 55.95 -112.10 138.36 68.67 1.68 29.65 25.59 29.35 14.33 6.93 21.98 0.03 0.69 1.10 72 P C C 82.65 4.63 14.98 20.80 106.73 -115.61 -69.52 130.22 69.58 1.29 29.13 36.13 13.14 20.07 5.85 23.55 0.00 0.69 0.58 73 F C C 129.18 6.06 12.49 20.00 110.74 -127.13 -90.07 117.53 64.86 5.44 29.69 38.68 11.80 14.94 7.48 21.68 0.03 3.02 2.37 74 V C C 79.54 7.80 10.11 19.25 116.23 105.40 -101.02 134.89 76.51 7.54 15.95 55.60 12.73 7.62 9.07 7.12 0.02 4.04 3.80 75 S C C 75.92 3.90 9.90 15.52 111.77 -152.32 -93.55 128.24 77.50 4.11 18.39 47.68 16.11 13.93 8.54 9.77 0.01 2.33 1.63 76 D C C 111.57 2.49 9.28 13.48 109.05 -132.63 -88.30 109.64 78.99 2.82 18.19 41.99 19.64 17.97 6.51 11.20 0.02 1.46 1.21 77 E C C 136.27 3.05 8.08 13.04 109.10 -155.70 -87.24 107.63 86.63 1.67 11.69 76.27 2.11 10.07 4.61 5.18 0.00 1.03 0.73 78 Q C C 130.78 3.00 10.52 15.29 110.73 -152.98 -92.40 116.75 99.74 0.12 0.14 99.45 0.17 0.20 0.07 0.02 0.00 0.07 0.02