# 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 V C C 71.12 9.90 12.18 23.01 121.21 -169.70 -112.28 135.70 99.57 0.42 0.01 99.59 0.11 0.03 0.00 0.00 0.00 0.24 0.03 1 N C C 122.30 1.95 14.90 17.55 109.45 -137.32 -91.70 112.52 88.29 11.58 0.13 87.04 1.29 0.58 0.04 0.06 0.00 7.26 3.71 2 V C C 62.25 12.22 8.48 21.00 117.14 -162.45 -99.41 132.24 90.40 9.51 0.08 78.69 11.66 0.32 0.03 0.06 0.00 7.52 1.72 3 P C C 57.11 7.25 12.22 21.43 115.13 -108.50 -65.05 150.07 93.20 6.14 0.66 90.72 1.83 1.06 0.14 0.41 0.00 4.69 1.16 4 K C S 155.62 2.52 13.85 17.75 95.87 -132.19 -73.36 -25.81 93.31 5.72 0.97 16.22 62.31 14.76 0.11 0.90 0.00 5.01 0.69 5 T C S 77.14 4.83 14.80 21.10 127.67 28.65 -130.48 144.56 69.10 29.48 1.42 26.22 29.03 15.43 0.14 1.40 0.00 26.56 1.23 6 R C E 97.44 10.59 13.00 24.65 128.17 -173.52 -133.61 146.67 50.80 48.83 0.37 44.77 4.75 0.55 0.06 0.32 0.00 48.60 0.96 7 R E E 118.63 7.91 15.83 24.95 117.68 -127.49 -94.78 136.44 17.10 82.87 0.03 16.74 0.49 0.03 0.01 0.02 0.00 82.24 0.47 8 T E E 44.58 10.83 15.14 27.35 127.32 -166.12 -122.01 148.55 3.36 96.63 0.01 2.99 0.22 0.01 0.00 0.00 0.00 96.66 0.12 9 F E E 92.53 7.44 15.08 24.26 116.77 -124.64 -96.59 131.62 2.86 97.14 0.01 2.79 0.16 0.01 0.00 0.00 0.00 95.33 1.70 10 C C C 22.31 12.53 9.68 24.06 109.05 -132.08 -86.52 118.73 61.21 38.75 0.04 60.91 0.68 0.07 0.01 0.02 0.00 37.06 1.25 11 K C T 149.73 2.27 13.43 17.06 93.59 -158.85 -68.49 -28.78 99.20 0.15 0.65 0.32 3.50 95.40 0.01 0.63 0.00 0.10 0.03 12 K C T 159.37 1.02 13.16 13.84 97.10 48.01 -75.71 -38.50 99.18 0.06 0.76 0.09 1.98 97.23 0.01 0.65 0.00 0.03 0.01 13 C C T 72.45 3.80 11.34 16.63 101.46 22.72 -105.68 -13.79 99.50 0.05 0.46 0.23 2.12 97.18 0.01 0.43 0.00 0.02 0.01 14 G C C 47.07 3.78 12.20 17.74 96.22 -122.76 78.23 5.93 99.05 0.75 0.20 61.46 5.66 31.92 0.03 0.18 0.00 0.56 0.19 15 K C C 113.91 3.08 15.48 19.72 121.12 127.64 -89.24 149.48 76.26 23.73 0.02 72.52 2.92 0.12 0.00 0.02 0.00 23.89 0.53 16 H E E 88.81 12.50 12.02 24.87 116.10 -114.36 -85.95 137.59 1.53 98.46 0.00 1.49 0.07 0.00 0.00 0.00 0.00 96.84 1.59 17 Q E E 69.81 8.05 17.10 26.64 128.68 -175.99 -133.05 145.20 5.23 94.77 0.00 4.85 0.23 0.01 0.00 0.00 0.00 94.82 0.08 18 P E E 75.07 7.91 17.22 26.00 114.78 -104.35 -67.01 145.00 13.80 86.19 0.02 12.72 0.78 0.05 0.00 0.01 0.00 85.96 0.47 19 H E E 44.49 16.40 12.81 29.36 128.14 -168.44 -123.33 150.97 45.97 53.95 0.08 40.68 4.24 0.23 0.02 0.06 0.00 54.20 0.57 20 K E E 125.85 4.12 20.87 25.77 118.91 -124.89 -99.91 136.42 32.15 67.78 0.07 29.19 2.24 0.14 0.02 0.05 0.00 66.55 1.80 21 V E E 40.41 18.04 11.24 28.77 116.47 -133.73 -92.17 130.51 29.08 70.77 0.15 27.83 0.88 0.10 0.07 0.08 0.00 66.74 4.30 22 T E E 69.81 5.73 18.34 24.82 109.70 -164.91 -99.47 94.91 45.77 53.89 0.33 31.27 13.52 0.99 0.07 0.30 0.00 52.90 0.95 23 Q E E 104.93 5.93 17.04 23.98 121.99 -58.48 -111.46 136.51 34.91 64.57 0.52 27.60 6.27 1.07 0.13 0.43 0.00 61.96 2.53 24 Y E E 81.15 14.46 10.23 24.53 121.28 -157.09 -108.09 138.73 40.62 58.86 0.52 37.06 2.26 0.40 0.28 0.28 0.00 51.48 8.23 25 K C C 115.81 4.44 14.26 20.03 116.30 -126.66 -89.28 145.88 77.96 20.67 1.37 60.99 12.75 3.81 0.37 1.14 0.00 17.91 3.02 26 K C T 150.16 3.12 12.25 17.11 109.10 -100.61 -69.16 136.82 88.64 6.66 4.70 15.39 25.49 48.13 0.75 3.93 0.01 4.70 1.60 27 G C T 53.94 3.48 12.69 16.98 104.78 28.19 82.29 -3.59 92.95 2.67 4.38 22.69 24.09 46.18 0.56 4.02 0.00 1.58 0.89 28 K C C 110.14 6.42 11.05 18.90 112.95 108.35 -91.49 132.72 88.14 5.36 6.50 46.64 24.76 16.74 1.24 5.47 0.01 2.62 2.52 29 D C C 108.10 3.60 14.17 19.00 103.53 -139.11 -90.80 20.87 89.94 4.21 5.85 51.77 22.16 16.00 1.35 4.59 0.00 2.16 1.96 30 S C C 35.76 9.08 12.92 23.70 128.24 111.10 -115.80 160.66 80.83 7.73 11.44 46.50 28.64 5.24 7.92 3.42 0.02 2.78 5.48 31 L H T 85.71 8.81 15.60 25.52 92.71 -109.66 -64.20 -29.11 48.78 1.59 49.62 6.11 8.81 31.90 25.87 25.11 0.27 0.89 1.03 32 Y H T 104.04 10.26 16.02 26.80 94.40 58.50 -78.18 -18.16 47.15 2.70 50.15 6.52 7.37 30.89 26.28 25.52 0.44 1.74 1.25 33 A H H 36.39 11.16 14.48 26.73 98.88 64.24 -80.45 -8.09 44.18 6.06 49.76 15.47 10.17 19.04 25.93 23.09 0.34 3.69 2.28 34 Q C T 94.57 7.65 16.00 24.48 106.02 75.31 -89.02 45.49 61.49 7.02 31.48 21.89 14.50 26.20 22.74 7.66 0.30 3.88 2.83 35 G C C 30.88 9.79 13.73 24.34 120.87 -140.90 87.88 171.33 74.45 8.62 16.93 34.90 17.41 23.05 10.28 6.24 0.13 5.36 2.63 36 K C C 129.91 5.03 15.23 21.51 112.18 -105.46 -93.18 128.44 63.71 14.95 21.34 39.89 13.70 9.99 13.64 8.14 0.12 10.93 3.60 37 R C C 126.75 7.74 12.76 21.71 117.45 -133.65 -96.44 133.33 54.08 22.22 23.70 34.07 11.33 8.88 14.79 9.23 0.14 17.98 3.58 38 R C C 128.22 6.98 13.61 21.90 114.43 -155.76 -97.17 129.05 47.06 29.13 23.82 29.86 9.23 8.42 15.40 9.08 0.15 23.72 4.14 39 Y C C 99.01 9.73 10.83 21.70 119.50 -158.80 -107.23 136.21 48.04 29.47 22.49 30.07 10.99 7.32 15.90 7.27 0.15 23.45 4.84 40 D C C 82.89 5.14 12.75 19.44 113.13 -150.49 -97.74 129.83 60.28 19.55 20.18 41.58 10.45 7.95 14.00 6.78 0.06 16.65 2.52 41 R C C 150.00 5.06 11.00 17.73 102.93 -141.08 -79.99 6.13 58.51 15.74 25.75 33.88 12.98 12.33 15.24 10.55 0.14 12.25 2.63 42 K C C 142.86 2.43 11.73 15.39 103.98 102.99 -83.61 7.85 58.76 17.25 23.99 35.53 12.03 11.45 13.95 10.39 0.15 12.86 3.64 43 Q C C 109.49 5.03 9.32 15.99 109.39 85.13 -88.22 110.16 63.64 18.24 18.12 42.39 11.30 9.15 11.07 7.61 0.14 11.65 6.68 44 S C C 75.59 3.96 10.05 15.55 110.84 115.77 -94.12 112.72 77.94 10.84 11.22 47.23 15.17 15.77 5.43 5.51 0.03 6.65 4.21 45 G C T 53.37 2.54 10.41 14.30 111.79 9.29 79.92 -8.98 84.85 4.41 10.74 24.78 28.59 32.51 2.53 7.35 0.02 2.46 1.76 46 Y C T 168.17 2.64 9.17 13.20 106.30 -9.24 -93.88 71.89 81.95 5.02 13.04 18.37 24.53 39.71 2.56 9.62 0.03 2.67 2.50 47 G C T 58.05 1.97 11.00 13.82 105.33 -16.39 70.08 2.10 86.04 3.85 10.11 18.88 25.57 41.73 1.46 8.53 0.01 2.23 1.60 48 G C C 50.45 3.88 10.41 15.83 107.85 -55.12 74.00 15.49 86.90 6.30 6.80 36.17 28.24 22.77 0.95 6.14 0.00 3.64 2.09 49 Q C C 112.91 4.58 10.52 16.66 114.80 74.48 -87.69 135.53 82.85 13.80 3.35 56.48 20.06 5.91 0.95 2.67 0.00 8.29 5.62 50 T C C 92.43 4.74 11.23 17.53 107.43 -130.78 -92.99 49.64 80.26 18.33 1.41 59.94 16.71 3.05 0.46 1.12 0.00 13.09 5.63 51 K C C 123.01 4.49 12.44 18.53 119.38 72.23 -102.70 135.63 78.95 20.78 0.27 62.81 15.82 0.67 0.11 0.20 0.00 17.90 2.49 52 P C C 76.91 7.21 11.53 20.34 113.90 -109.26 -67.28 145.55 68.03 31.34 0.63 64.42 2.66 0.62 0.34 0.33 0.00 23.65 7.98 53 I C C 98.70 6.92 11.60 19.85 110.82 -141.26 -91.57 123.98 75.97 21.12 2.91 46.25 27.79 2.53 2.02 1.09 0.01 17.33 2.97 54 F C C 115.63 6.57 11.45 19.45 122.17 -52.66 -114.00 138.63 59.82 36.39 3.79 41.33 16.63 2.23 2.69 1.39 0.02 28.12 7.58 55 R C C 144.79 5.48 11.39 18.65 117.82 -157.55 -105.64 133.83 68.40 26.66 4.94 59.59 6.00 1.99 3.31 1.86 0.00 22.86 4.38 56 K C C 127.89 5.17 11.43 18.21 116.59 -142.26 -95.94 142.19 74.62 13.95 11.43 51.96 15.91 6.72 6.71 4.82 0.01 10.66 3.20 57 K C C 135.04 4.52 12.31 18.48 112.87 -122.86 -85.04 137.03 74.96 9.88 15.16 48.67 17.47 9.05 7.84 7.36 0.02 6.57 3.01 58 A C C 57.96 8.62 10.18 19.95 113.16 -121.43 -79.30 142.99 74.35 6.77 18.88 53.07 12.69 8.75 8.41 10.46 0.01 4.40 2.21 59 K C C 133.22 4.39 13.07 18.89 110.17 -135.11 -87.47 126.87 74.63 7.70 17.67 50.21 14.48 10.14 7.85 9.72 0.02 4.81 2.76 60 T C C 83.33 6.60 12.52 20.30 110.58 -148.29 -92.37 109.90 75.96 8.91 15.12 46.76 17.18 12.43 6.51 8.42 0.04 5.48 3.19 61 T C C 74.56 7.63 12.97 21.59 110.70 112.60 -98.52 102.78 81.71 8.78 9.50 49.86 20.06 12.19 3.94 5.43 0.02 5.74 2.76 62 K C C 113.39 7.27 15.22 23.50 108.71 82.09 -89.45 87.80 85.94 10.46 3.60 45.10 34.54 7.18 1.10 2.35 0.01 8.08 1.63 63 K C C 92.09 9.84 17.23 27.55 120.18 69.08 -105.80 140.39 70.38 28.74 0.88 46.58 20.67 2.78 0.17 0.70 0.00 28.00 1.11 64 I E E 33.34 16.63 16.42 33.54 119.65 -144.89 -106.25 131.97 18.36 81.57 0.07 17.26 0.94 0.09 0.02 0.04 0.00 80.89 0.77 65 V E E 32.20 12.43 21.07 34.74 119.51 -159.18 -110.17 130.22 5.58 94.41 0.01 5.24 0.23 0.01 0.00 0.00 0.00 94.38 0.13 66 L E E 21.27 19.15 18.42 37.98 119.33 -158.89 -105.61 130.03 1.81 98.18 0.00 1.62 0.09 0.00 0.00 0.00 0.00 98.26 0.02 67 R E E 72.23 11.52 23.14 35.05 119.22 -164.24 -111.41 130.34 0.87 99.13 0.00 0.76 0.04 0.00 0.00 0.00 0.00 99.19 0.01 68 L E E 17.54 20.77 17.21 38.34 120.34 -156.07 -106.85 133.55 0.77 99.23 0.00 0.67 0.03 0.00 0.00 0.00 0.00 99.29 0.01 69 E E E 65.22 9.16 23.07 32.89 122.88 -164.55 -115.74 137.10 1.19 98.80 0.01 1.02 0.09 0.01 0.00 0.00 0.00 98.83 0.04 70 C E E 20.56 17.41 12.78 30.96 113.00 -119.97 -78.07 131.59 13.88 86.09 0.04 12.33 0.97 0.08 0.01 0.02 0.00 86.20 0.39 71 V C S 75.20 6.28 17.86 25.44 97.69 -161.89 -89.21 -22.32 75.15 24.79 0.06 19.06 53.82 1.43 0.00 0.07 0.00 25.28 0.33 72 E C S 86.07 5.61 13.07 20.54 121.32 67.85 -108.27 139.43 77.63 21.99 0.38 9.27 63.00 5.93 0.05 0.34 0.00 20.05 1.36 73 P C T 100.59 3.23 12.82 17.38 104.97 -99.09 -61.92 136.69 96.99 0.39 2.62 1.49 8.80 86.60 0.26 2.48 0.00 0.26 0.11 74 N C T 131.57 1.19 14.29 14.93 94.81 18.73 57.21 13.32 96.56 0.59 2.85 2.21 8.02 86.11 0.33 2.77 0.00 0.43 0.13 75 C C C 46.07 12.48 8.19 20.72 112.70 106.50 -97.65 114.46 73.08 22.63 4.29 48.03 16.00 8.58 1.27 3.74 0.01 16.68 5.69 76 R C C 170.10 2.30 14.27 17.51 100.32 146.79 -97.62 -3.95 76.10 21.61 2.29 59.47 12.40 3.43 1.44 1.07 0.00 20.49 1.71 77 S C C 58.18 5.05 14.01 20.62 123.12 91.60 -100.61 149.66 61.64 34.19 4.18 49.96 8.83 2.14 3.06 1.17 0.00 33.58 1.26 78 K E E 111.81 10.23 12.48 23.53 121.69 -152.60 -111.64 139.23 39.10 55.68 5.22 30.34 7.16 1.26 4.15 0.87 0.00 55.49 0.73 79 R E E 114.28 7.38 16.08 24.85 126.46 -168.65 -124.00 143.11 13.51 81.50 4.98 11.19 1.42 0.61 4.29 0.64 0.00 81.13 0.73 80 M E E 92.08 10.99 14.73 26.34 118.61 -135.91 -100.50 132.31 12.93 82.09 4.97 11.42 0.86 0.37 4.41 0.50 0.00 81.54 0.89 81 L E E 52.68 12.77 14.81 28.47 120.84 -164.07 -108.34 137.45 30.00 65.13 4.87 26.87 1.67 0.44 4.18 0.51 0.00 65.81 0.52 82 A E E 55.44 7.36 18.84 27.04 117.01 -129.39 -91.67 138.63 40.52 54.66 4.82 35.15 3.30 0.73 4.01 0.60 0.00 55.55 0.67 83 I E E 44.78 17.46 12.48 29.77 120.95 -158.91 -108.75 133.31 45.80 48.84 5.37 41.21 3.00 0.93 4.29 0.88 0.00 48.21 1.48 84 K C E 116.80 5.34 19.27 25.45 120.47 -153.44 -101.76 142.33 47.78 46.38 5.84 36.97 8.66 1.98 4.39 1.28 0.01 45.34 1.36 85 R E E 122.16 9.05 16.28 25.97 114.13 -102.98 -78.84 136.59 43.94 48.87 7.19 32.83 8.87 2.92 4.88 2.31 0.02 43.70 4.47 86 C C C 33.95 15.61 10.69 26.32 120.37 -153.03 -103.83 143.53 50.43 42.45 7.12 43.14 4.68 2.28 3.91 3.33 0.01 38.33 4.30 87 K C S 142.72 3.11 16.87 20.58 98.19 -150.52 -84.35 -27.10 64.28 29.05 6.66 18.27 34.57 12.56 2.44 3.66 0.05 27.02 1.43 88 H C E 110.06 4.53 17.84 23.26 128.92 18.12 -136.83 144.24 54.16 39.64 6.19 25.35 19.98 10.56 2.17 3.62 0.02 37.23 1.09 89 F C E 69.12 16.86 10.98 27.08 124.84 -169.16 -124.55 136.90 48.49 45.79 5.72 42.54 4.21 1.76 3.13 2.79 0.01 42.69 2.88 90 E C C 103.16 5.40 17.59 24.08 119.03 -157.81 -108.88 127.49 49.62 46.69 3.68 44.41 3.06 1.59 2.50 1.55 0.00 42.88 4.01 91 L C C 85.62 10.41 12.70 23.80 113.69 -145.08 -86.06 132.22 61.85 32.93 5.22 33.41 12.72 17.36 2.41 2.93 0.03 28.63 2.50 92 G C C 43.73 4.69 14.84 20.57 109.53 22.15 95.76 -24.11 79.36 14.52 6.13 29.52 25.19 25.70 2.56 3.29 0.03 11.96 1.75 93 G C S 38.72 5.70 12.97 19.97 115.41 35.58 73.13 -164.38 76.59 6.82 16.59 27.54 32.03 18.08 8.31 7.36 0.05 4.82 1.80 94 D C C 89.29 5.23 12.30 18.82 103.83 -25.43 -82.15 44.42 66.29 6.98 26.74 35.70 16.38 14.97 14.11 12.15 0.05 4.67 1.97 95 K C C 125.49 5.31 11.21 17.98 97.40 108.35 -74.32 -17.00 56.13 8.24 35.63 31.69 12.92 12.25 19.52 15.72 0.08 5.78 2.04 96 K C C 141.72 2.64 12.38 16.16 98.24 68.19 -75.73 -16.74 55.99 8.61 35.40 34.38 11.28 10.75 20.67 14.67 0.07 6.08 2.11 97 R C C 137.80 4.81 10.73 16.99 101.71 62.97 -85.89 10.49 60.54 7.50 31.96 40.25 10.16 10.13 19.15 13.03 0.04 4.98 2.26 98 K C T 136.16 4.12 10.15 16.07 107.59 114.11 -77.87 107.35 66.31 5.38 28.31 25.34 10.50 30.90 16.37 11.41 0.10 3.41 1.97 99 G C T 52.46 3.60 11.45 16.37 104.52 22.81 58.35 -1.82 72.96 3.22 23.82 22.07 13.85 37.75 11.05 12.03 0.05 2.05 1.15 100 Q C C 118.15 3.76 10.12 15.58 110.39 120.66 -88.35 122.04 72.86 8.27 18.87 41.84 17.14 14.69 7.71 10.76 0.03 5.59 2.23 101 V C C 103.95 3.88 8.88 14.60 112.03 -147.99 -91.31 124.40 70.43 19.45 10.12 44.74 16.40 9.12 5.65 4.72 0.07 12.90 6.40 102 I C C 111.20 4.65 7.81 14.22 113.94 -144.74 -95.62 126.96 81.49 13.90 4.61 73.53 2.80 4.82 2.54 1.80 0.00 10.86 3.65 103 Q C C 134.95 2.45 11.79 15.84 112.95 -145.72 -92.65 126.74 99.46 0.50 0.04 99.37 0.14 0.07 0.02 0.01 0.00 0.35 0.04