# 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 107.64 7.55 15.69 24.05 106.15 65.87 -88.97 34.40 99.95 0.05 0.00 99.88 0.07 0.03 0.00 0.00 0.00 0.02 0.00 1 K C C 108.76 7.98 17.23 25.84 115.84 65.25 -96.79 131.83 92.91 6.84 0.25 88.99 2.20 1.73 0.05 0.16 0.00 6.01 0.86 2 E C C 81.86 11.72 19.70 31.25 117.26 -129.24 -92.38 135.38 72.51 27.19 0.30 52.84 16.32 1.79 0.04 0.32 0.00 28.02 0.67 3 A E E 7.17 20.47 20.13 40.71 132.73 -156.31 -130.13 153.62 20.81 79.10 0.09 18.10 2.09 0.20 0.02 0.07 0.00 79.00 0.51 4 L E E 10.97 22.04 26.58 47.73 125.44 -149.40 -121.57 136.93 2.39 97.60 0.01 2.10 0.26 0.02 0.00 0.01 0.00 97.51 0.11 5 G E E 1.21 25.54 27.04 51.80 128.32 -166.26 -118.74 146.32 0.49 99.51 0.00 0.39 0.03 0.00 0.00 0.00 0.00 99.57 0.01 6 L E E 8.80 23.31 28.95 51.10 120.14 -158.04 -117.34 127.73 0.21 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 7 I E E 1.93 26.78 26.44 52.96 121.48 -168.01 -117.35 130.68 0.19 99.81 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 8 E E E 38.21 16.44 28.44 44.32 118.63 -162.42 -110.65 127.26 0.78 99.21 0.00 0.70 0.03 0.00 0.00 0.00 0.00 99.26 0.02 9 T E E 6.81 22.90 18.44 41.36 137.26 168.59 -139.72 159.97 13.99 86.00 0.01 13.83 0.29 0.01 0.00 0.00 0.00 85.49 0.37 10 K C S 117.69 7.23 24.28 32.27 100.19 -120.54 -86.82 7.90 89.98 9.97 0.05 10.45 78.30 0.86 0.01 0.03 0.00 10.13 0.23 11 G C S 20.47 9.49 25.01 34.83 140.40 -8.61 140.01 168.53 97.04 1.60 1.36 11.98 83.45 1.94 1.20 0.16 0.00 0.54 0.71 12 L H H 54.63 18.83 18.24 35.89 91.92 -94.15 -62.01 -37.85 1.80 0.00 98.20 0.18 0.31 1.17 97.93 0.40 0.00 0.00 0.00 13 V H H 80.89 5.54 25.82 31.58 91.53 53.20 -63.45 -41.56 0.81 0.00 99.18 0.08 0.06 0.58 98.84 0.45 0.00 0.00 0.00 14 A H H 15.56 15.75 22.52 38.42 91.64 49.86 -65.47 -40.62 0.29 0.00 99.71 0.04 0.02 0.18 99.28 0.48 0.00 0.00 0.00 15 C H H 1.41 27.30 19.16 46.92 91.13 51.38 -63.42 -43.30 0.13 0.00 99.87 0.02 0.00 0.07 99.84 0.07 0.00 0.00 0.00 16 I H H 59.27 12.80 27.12 39.78 91.83 49.42 -63.88 -42.42 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 17 E H H 86.96 5.56 29.40 36.07 91.41 49.67 -63.73 -42.39 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 18 A H H 2.87 24.43 23.08 47.13 91.77 49.69 -64.30 -42.83 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 19 A H H 2.51 25.84 22.56 48.01 91.19 51.05 -62.89 -43.12 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 20 D H H 74.75 5.99 28.38 35.17 91.55 50.61 -63.72 -41.57 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.01 0.00 0.00 0.00 21 A H H 25.81 10.27 25.33 36.58 91.61 49.60 -64.92 -41.83 0.24 0.00 99.76 0.01 0.01 0.17 99.77 0.03 0.00 0.00 0.00 22 M H H 3.65 26.49 18.64 45.45 91.73 50.30 -64.46 -42.64 0.42 0.00 99.58 0.03 0.02 0.30 99.56 0.09 0.00 0.00 0.00 23 C H H 33.41 17.97 19.51 36.50 91.62 53.18 -65.01 -34.58 2.01 0.00 97.99 0.15 0.10 1.61 97.70 0.44 0.00 0.00 0.00 24 K H H 152.05 1.59 23.64 24.34 91.59 53.35 -71.28 -24.36 6.97 0.01 93.02 0.16 0.23 6.64 92.45 0.50 0.01 0.00 0.00 25 A H H 41.11 12.27 18.10 30.61 97.58 43.51 -95.02 -15.13 16.54 0.03 83.43 0.39 0.94 15.14 83.03 0.47 0.02 0.01 0.02 26 A C S 14.12 19.25 15.63 34.63 140.08 22.84 -144.17 162.65 81.22 3.50 15.28 10.19 39.63 29.55 15.82 1.51 0.06 2.14 1.08 27 N C T 100.56 3.83 24.90 28.92 103.20 -106.74 -77.01 91.60 97.59 2.22 0.20 28.05 17.50 51.92 0.04 0.14 0.00 2.21 0.15 28 V E E 9.27 25.48 11.02 36.27 125.34 150.33 -111.14 144.53 49.39 50.58 0.03 46.00 1.29 0.06 0.00 0.02 0.00 52.42 0.20 29 E E E 100.76 4.59 26.53 31.51 119.58 -152.37 -112.83 129.74 3.32 96.67 0.02 3.07 0.12 0.02 0.00 0.00 0.00 96.72 0.06 30 L E E 50.75 20.06 14.74 34.05 110.12 -126.68 -79.93 123.69 1.02 98.98 0.00 1.00 0.02 0.00 0.00 0.00 0.00 98.96 0.02 31 I E E 71.61 8.84 20.37 30.16 100.76 175.77 -97.70 -25.89 2.57 97.42 0.01 1.67 0.49 0.10 0.00 0.00 0.00 97.72 0.01 32 G E E 19.42 7.33 23.40 32.06 144.99 -28.53 171.99 170.35 1.73 98.27 0.00 1.13 0.31 0.03 0.00 0.00 0.00 98.52 0.01 33 Y E E 84.73 19.98 13.57 32.19 131.63 -146.24 -140.16 142.79 1.79 98.21 0.00 1.67 0.07 0.00 0.00 0.00 0.00 98.24 0.02 34 E E E 89.81 5.89 21.64 28.49 128.61 -174.01 -135.33 141.68 2.13 97.87 0.01 1.85 0.10 0.01 0.00 0.00 0.00 98.00 0.04 35 N E E 100.52 7.24 15.08 24.06 111.35 -123.24 -80.16 122.86 9.31 90.66 0.03 8.36 0.48 0.06 0.01 0.01 0.00 90.94 0.14 36 V E E 64.54 10.35 12.32 23.80 101.91 178.06 -102.97 -9.33 35.44 64.29 0.27 28.49 5.66 1.10 0.04 0.24 0.00 63.84 0.62 37 G E E 46.89 2.57 15.51 18.58 121.18 -82.07 97.34 -171.64 42.17 54.54 3.30 6.12 19.51 21.73 0.17 3.56 0.02 46.49 2.41 38 S C T 91.64 1.97 15.75 17.81 96.69 15.21 15.71 29.58 94.24 0.71 5.04 1.51 11.68 79.66 0.09 6.41 0.00 0.47 0.18 39 G C T 32.40 9.06 14.80 24.94 96.53 -62.16 86.15 3.00 96.35 0.73 2.93 2.53 16.84 76.06 0.06 3.84 0.00 0.54 0.13 40 L E E 43.41 12.08 17.55 30.96 121.98 121.21 -100.71 139.42 16.43 83.54 0.03 13.64 2.35 0.19 0.01 0.03 0.00 82.72 1.07 41 V E E 11.96 19.59 18.52 38.67 126.47 -165.98 -121.55 140.24 1.47 98.53 0.00 1.30 0.05 0.00 0.00 0.00 0.00 98.60 0.05 42 T E E 21.64 14.79 25.49 40.68 122.45 -157.16 -114.20 135.11 0.46 99.54 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.58 0.01 43 A E E 2.82 24.87 21.09 46.14 128.43 -171.62 -126.63 142.76 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.82 0.00 44 M E E 33.49 14.11 27.70 42.40 117.77 -150.88 -105.87 127.76 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 45 V E E 2.13 26.48 20.12 47.46 124.39 -169.88 -118.88 137.29 0.21 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.01 46 K E E 67.56 11.40 26.72 38.37 128.78 -170.17 -123.21 145.30 2.75 97.25 0.00 2.29 0.22 0.01 0.00 0.00 0.00 97.42 0.06 47 G E E 13.29 11.99 22.05 35.47 143.20 84.58 154.80 -171.73 25.73 74.25 0.02 12.56 13.34 0.28 0.00 0.02 0.00 73.55 0.27 48 D C C 75.71 4.94 24.27 29.35 116.95 -38.00 -73.80 146.53 77.77 22.13 0.10 70.35 7.52 0.16 0.05 0.05 0.00 20.17 1.68 49 V H H 58.89 16.32 15.26 31.17 91.72 -114.00 -58.91 -37.63 3.29 0.01 96.70 0.22 0.46 2.46 96.10 0.74 0.01 0.00 0.00 50 G H H 44.16 2.63 24.42 26.46 91.43 54.31 -63.32 -40.73 1.93 0.00 98.06 0.11 0.14 1.61 97.26 0.88 0.00 0.00 0.00 51 A H H 29.63 11.68 21.41 33.52 92.08 48.27 -67.07 -39.39 0.74 0.00 99.26 0.10 0.06 0.47 98.41 0.96 0.00 0.00 0.00 52 V H H 2.80 26.93 16.15 43.75 91.46 51.05 -63.51 -43.32 0.22 0.00 99.78 0.03 0.01 0.11 99.75 0.10 0.00 0.00 0.00 53 N H H 77.19 9.25 26.05 35.65 91.30 50.85 -62.60 -42.07 0.21 0.00 99.79 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 54 A H H 49.56 3.91 27.85 31.86 91.25 50.09 -63.77 -42.08 0.21 0.00 99.79 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 55 A H H 4.95 22.64 21.74 44.14 91.78 50.41 -64.42 -42.83 0.19 0.00 99.81 0.01 0.01 0.11 99.83 0.03 0.00 0.00 0.00 56 V H H 11.10 23.32 22.88 45.37 91.62 49.87 -62.95 -42.73 0.15 0.00 99.85 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 57 D H H 84.15 3.75 28.53 32.88 91.31 49.65 -63.55 -41.91 0.15 0.00 99.85 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 58 S H H 33.17 8.33 26.33 35.73 91.51 49.29 -64.45 -41.98 0.18 0.00 99.82 0.01 0.01 0.13 99.82 0.03 0.00 0.00 0.00 59 G H H 1.46 25.71 20.04 45.80 91.87 50.53 -64.14 -43.33 0.29 0.00 99.71 0.02 0.01 0.21 99.71 0.05 0.00 0.00 0.00 60 V H H 35.48 16.07 23.67 38.99 91.59 50.09 -63.23 -42.85 0.25 0.00 99.75 0.02 0.01 0.15 99.75 0.06 0.00 0.00 0.00 61 E H H 107.08 2.05 27.79 28.13 91.41 49.75 -63.22 -42.25 0.33 0.00 99.67 0.03 0.01 0.22 99.63 0.11 0.00 0.00 0.00 62 A H H 18.27 12.01 21.16 34.35 91.79 49.70 -64.52 -41.80 0.71 0.00 99.29 0.04 0.03 0.54 99.16 0.22 0.00 0.00 0.00 63 A H H 4.60 23.91 13.87 37.85 91.39 51.57 -63.97 -40.23 1.51 0.00 98.48 0.14 0.09 1.12 97.80 0.84 0.00 0.00 0.00 64 K H H 130.23 4.88 18.90 25.30 91.34 53.30 -64.33 -36.10 5.77 0.02 94.21 0.36 0.26 5.16 91.59 2.61 0.01 0.01 0.00 65 R H H 170.38 1.45 19.98 20.43 92.13 52.11 -70.03 -30.21 13.93 0.03 86.04 0.48 0.62 13.11 83.82 1.91 0.02 0.01 0.02 66 I H H 64.52 11.85 14.11 26.49 99.24 41.95 -95.74 -16.03 36.86 0.17 62.97 1.41 3.27 31.86 61.12 2.09 0.08 0.07 0.11 67 G C T 38.35 5.32 19.50 25.48 131.06 -77.45 108.18 15.36 96.30 3.20 0.50 14.97 23.62 57.69 0.13 0.29 0.00 3.11 0.20 68 K C C 117.76 6.90 19.23 26.81 113.56 -21.98 -95.12 126.32 76.91 22.80 0.29 68.45 5.69 0.86 0.04 0.23 0.00 24.34 0.38 69 V E E 44.91 18.91 11.99 30.17 112.11 -133.18 -87.04 121.76 11.36 88.61 0.03 11.35 0.32 0.03 0.01 0.01 0.00 87.65 0.63 70 V E E 74.17 7.25 19.41 27.71 100.80 178.78 -95.58 -31.78 9.12 90.86 0.02 6.13 2.91 0.13 0.00 0.01 0.00 90.74 0.08 71 S E E 44.88 6.40 22.74 30.20 141.80 -4.98 -160.11 155.80 1.68 98.32 0.01 1.37 0.19 0.02 0.00 0.00 0.00 98.40 0.02 72 S E E 42.81 20.24 13.10 31.90 131.89 -167.89 -141.12 142.17 1.17 98.82 0.00 1.07 0.05 0.00 0.00 0.00 0.00 98.87 0.01 73 R E E 109.08 6.40 22.95 30.42 127.71 -173.79 -133.61 138.84 0.80 99.20 0.00 0.74 0.03 0.00 0.00 0.00 0.00 99.22 0.01 74 V E E 65.82 14.28 16.34 30.65 118.04 -148.40 -103.59 127.98 1.57 98.42 0.00 1.57 0.03 0.00 0.00 0.00 0.00 98.33 0.06 75 I E E 52.34 12.14 15.19 28.52 115.02 -164.66 -111.74 119.04 18.37 81.61 0.02 17.96 0.49 0.03 0.01 0.01 0.00 81.01 0.49 76 A C S 65.19 6.19 17.32 24.57 101.95 -153.56 -72.90 -28.24 79.87 20.07 0.06 34.67 43.74 0.73 0.01 0.05 0.00 20.42 0.38 77 R C S 146.60 4.58 18.16 23.57 115.11 2.25 -111.97 116.62 95.40 4.41 0.19 35.89 59.01 1.04 0.05 0.11 0.00 3.40 0.49 78 P C C 51.97 15.31 11.89 26.75 114.50 -122.91 -69.43 146.48 94.77 3.50 1.74 87.91 4.64 2.56 0.61 0.90 0.00 2.16 1.22 79 H C C 76.45 9.67 13.96 24.65 114.58 -123.68 -81.79 144.55 91.04 1.65 7.30 81.93 5.29 3.90 4.78 2.21 0.00 0.62 1.27 80 N H H 112.46 3.28 15.45 19.75 95.28 -120.24 -64.74 -29.19 47.28 0.45 52.28 10.49 9.73 26.64 38.96 13.59 0.07 0.20 0.32 81 D H H 83.06 4.52 15.73 21.09 94.05 59.93 -70.70 -27.17 39.74 0.42 59.84 10.45 5.74 23.15 48.13 12.04 0.05 0.21 0.23 82 I H H 32.32 17.18 11.23 28.09 93.61 59.40 -68.37 -37.67 16.12 0.43 83.45 6.21 3.01 7.00 67.03 16.30 0.04 0.26 0.15 83 E H H 94.02 8.92 14.50 24.36 92.03 58.64 -64.70 -33.25 13.41 0.55 86.05 4.94 2.12 6.11 68.39 17.87 0.04 0.40 0.14 84 K H H 147.03 1.58 17.07 18.22 92.68 55.89 -71.24 -26.38 19.93 0.54 79.53 4.93 2.66 11.24 62.36 18.21 0.08 0.36 0.17 85 I H H 76.50 9.51 13.46 23.70 96.90 52.61 -82.50 -16.72 27.22 0.93 71.85 6.68 5.07 16.24 60.30 10.56 0.23 0.53 0.41 86 A C H 45.51 13.41 11.31 24.51 107.44 82.94 -80.43 96.09 50.76 2.63 46.61 20.82 16.11 16.29 38.61 5.64 0.15 1.12 1.27 87 G C C 48.17 4.60 14.89 20.59 106.35 -50.48 71.76 0.63 68.02 1.65 30.33 32.53 10.38 25.37 22.57 7.55 0.01 0.86 0.73 88 S C C 73.99 4.97 13.27 19.63 108.72 82.18 -90.74 100.83 69.32 2.25 28.43 37.00 15.14 17.57 19.15 8.97 0.02 1.14 1.02 89 T C C 69.34 9.59 10.16 20.59 115.33 115.44 -96.54 131.65 70.97 3.53 25.51 46.80 13.28 10.52 18.61 7.38 0.01 1.96 1.43 90 K C C 138.75 3.58 12.76 17.99 113.53 -156.48 -96.91 124.53 73.35 3.94 22.70 49.64 13.49 9.68 17.12 6.26 0.01 2.38 1.41 91 H C C 120.84 5.82 10.64 18.06 114.84 -148.55 -96.21 128.04 74.80 4.13 21.07 52.81 12.58 8.85 15.67 6.03 0.01 2.52 1.53 92 K C C 134.75 4.52 11.05 17.35 112.18 -153.88 -92.47 125.66 74.18 3.96 21.86 50.73 12.37 10.79 14.22 7.95 0.01 2.45 1.49 93 S C C 75.60 4.42 10.55 16.66 114.19 -148.33 -92.02 128.81 79.97 2.62 17.41 48.61 17.16 14.37 9.28 8.02 0.00 1.53 1.02 94 L C C 109.61 5.02 9.87 16.58 113.33 -149.78 -93.30 126.74 84.29 3.02 12.70 53.89 19.94 10.69 6.09 6.35 0.00 1.63 1.41 95 R C C 142.69 4.56 9.78 16.24 117.18 -130.24 -90.23 138.77 95.68 1.50 2.82 70.10 23.77 2.03 1.62 1.05 0.00 0.74 0.70 96 P C C 93.67 4.10 9.55 15.55 111.71 -105.57 -67.89 145.49 88.45 2.13 9.42 69.62 7.88 11.16 2.74 6.48 0.00 1.41 0.71 97 H C C 145.09 2.77 8.63 13.32 109.87 -126.55 -87.06 119.61 85.01 4.59 10.40 56.59 12.81 15.77 3.17 7.04 0.00 2.81 1.80 98 N C C 121.78 2.21 8.55 12.44 109.16 -144.35 -92.54 97.65 90.74 2.56 6.71 79.51 2.34 10.16 1.89 3.48 0.00 1.55 1.08 99 A C C 79.30 3.95 10.08 15.69 105.66 -161.51 -83.92 45.16 99.93 0.05 0.02 99.83 0.08 0.06 0.01 0.00 0.00 0.02 0.01