# 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 Y C C 85.18 13.49 14.66 28.23 122.92 -167.89 -112.44 136.16 98.81 1.18 0.00 98.93 0.07 0.01 0.00 0.00 0.00 0.96 0.02 1 R E E 142.56 4.75 18.36 24.60 119.17 -150.47 -108.89 130.80 36.66 63.27 0.07 37.20 0.34 0.07 0.03 0.03 0.00 60.10 2.22 2 L E E 31.06 20.40 11.00 30.46 122.91 -167.42 -114.78 136.77 28.67 71.26 0.07 27.19 1.02 0.12 0.02 0.04 0.00 71.18 0.42 3 K E E 116.33 4.03 23.43 27.69 119.16 -153.17 -105.00 134.09 23.43 76.47 0.10 21.67 1.09 0.17 0.02 0.06 0.00 76.65 0.34 4 A E E 22.20 22.03 11.20 31.96 128.84 -174.71 -125.20 147.37 20.42 79.51 0.07 18.70 1.23 0.11 0.01 0.04 0.00 79.67 0.24 5 Y E E 114.34 5.55 21.83 28.13 127.30 -165.51 -126.45 142.46 6.17 93.80 0.03 5.84 0.34 0.04 0.01 0.02 0.00 93.25 0.51 6 Y E E 124.54 9.99 16.85 27.48 115.27 -114.81 -78.36 136.11 9.97 89.99 0.03 9.94 0.27 0.03 0.01 0.02 0.00 88.72 0.99 7 R C C 60.56 16.10 10.10 25.88 115.65 -129.76 -87.25 133.63 63.92 35.95 0.13 62.06 1.12 0.19 0.03 0.07 0.00 35.67 0.86 8 E C C 146.13 2.04 14.71 17.64 113.46 -157.28 -99.57 127.89 94.08 5.58 0.34 84.40 6.73 2.61 0.07 0.26 0.00 5.46 0.48 9 G C C 51.65 2.76 13.34 17.21 119.48 35.08 102.96 -173.42 97.36 1.78 0.86 65.84 23.12 8.57 0.23 0.61 0.00 1.18 0.45 10 E C C 135.16 3.39 13.07 17.97 111.78 -59.12 -88.89 127.30 94.87 2.12 3.01 69.36 20.16 5.50 1.66 1.25 0.00 1.12 0.95 11 K C C 115.68 5.80 14.36 21.41 112.77 -115.03 -85.47 128.64 91.57 1.27 7.16 77.07 11.02 3.04 6.53 1.17 0.00 0.60 0.55 12 P C C 48.86 14.30 11.72 25.91 100.98 -130.97 -66.35 -24.75 65.69 0.89 33.43 53.63 3.98 6.78 31.57 3.24 0.00 0.48 0.32 13 S H H 61.01 5.97 16.07 22.92 96.29 79.23 -69.41 -30.53 44.77 1.48 53.75 32.06 5.48 7.54 49.13 4.42 0.01 0.91 0.46 14 A H H 54.87 3.91 17.38 21.91 93.88 58.31 -66.49 -37.35 23.43 2.42 74.16 15.12 4.58 5.67 65.18 7.07 0.05 1.82 0.51 15 L H H 31.54 15.22 12.90 28.41 93.73 52.64 -67.61 -38.30 17.49 2.22 80.29 10.75 3.17 5.12 68.64 10.07 0.04 1.75 0.46 16 R H H 91.69 13.18 13.81 26.89 94.15 53.73 -66.98 -36.65 16.33 2.45 81.22 9.10 2.76 5.42 68.44 11.74 0.05 2.05 0.45 17 R H H 171.32 2.04 17.08 19.30 93.65 55.26 -71.50 -18.72 25.30 3.02 71.68 8.00 4.55 13.57 57.55 13.04 0.26 2.19 0.84 18 A C T 66.73 4.82 16.34 22.07 96.16 58.75 -83.37 -1.83 80.63 0.47 18.90 2.54 4.52 73.30 13.58 5.48 0.02 0.26 0.31 19 G C T 32.41 9.68 16.85 27.47 96.67 -103.31 84.79 9.74 98.44 0.49 1.07 4.03 5.26 89.42 0.35 0.49 0.00 0.37 0.08 20 K E E 71.85 12.20 19.67 32.10 125.81 123.85 -108.33 147.28 47.03 52.85 0.13 40.51 5.42 0.40 0.05 0.09 0.00 50.12 3.41 21 L E E 14.74 21.60 18.97 40.45 116.15 -132.70 -100.47 126.94 13.61 86.38 0.01 12.65 0.69 0.03 0.00 0.01 0.00 86.08 0.54 22 P E E 28.07 14.55 24.63 39.38 115.01 -123.38 -70.76 143.99 9.53 90.46 0.01 8.63 0.47 0.02 0.00 0.00 0.00 90.73 0.15 23 G E E 3.81 22.83 19.21 41.71 139.87 172.39 -146.08 162.34 1.68 98.31 0.00 1.48 0.11 0.01 0.00 0.00 0.00 98.34 0.06 24 V E E 34.86 12.32 24.38 37.62 121.06 -129.11 -114.63 132.03 0.50 99.49 0.00 0.46 0.02 0.00 0.00 0.00 0.00 99.49 0.02 25 M E E 17.44 19.65 18.01 38.01 119.21 -161.67 -110.87 128.12 0.79 99.21 0.00 0.69 0.04 0.00 0.00 0.00 0.00 99.24 0.02 26 Y E E 80.57 10.22 17.94 29.38 121.58 -171.40 -119.22 133.04 7.41 92.57 0.02 6.28 0.57 0.06 0.00 0.01 0.00 92.94 0.13 27 N C C 58.71 9.32 12.56 23.15 129.42 164.30 -134.21 156.49 74.70 25.24 0.06 69.18 3.15 0.30 0.01 0.04 0.00 26.96 0.36 28 R C C 180.04 1.82 12.78 15.23 97.33 -72.84 -62.98 -37.23 98.42 1.27 0.31 59.70 30.39 8.32 0.07 0.24 0.00 1.10 0.17 29 H C C 163.63 0.90 13.20 13.22 103.60 10.43 -100.40 -9.81 97.11 2.56 0.33 56.14 33.09 7.79 0.06 0.32 0.00 2.36 0.26 30 L C C 90.23 4.76 11.96 18.49 123.07 27.44 -119.01 141.01 68.06 31.77 0.17 60.78 4.24 0.65 0.03 0.13 0.00 33.62 0.55 31 N E E 84.89 10.46 11.91 23.38 122.62 -161.63 -116.33 136.01 28.65 71.29 0.06 26.51 1.17 0.13 0.01 0.03 0.00 71.74 0.39 32 R E E 93.79 9.26 17.57 27.93 127.65 -173.82 -129.17 141.42 5.83 94.15 0.02 5.17 0.33 0.03 0.00 0.01 0.00 94.36 0.10 33 K E E 98.10 10.11 19.00 29.62 116.90 -125.75 -84.80 136.61 2.42 97.57 0.01 2.12 0.11 0.01 0.00 0.00 0.00 97.73 0.03 34 V E E 9.94 21.42 16.96 38.71 126.98 -171.61 -125.40 140.66 0.92 99.08 0.00 0.88 0.01 0.00 0.00 0.00 0.00 99.09 0.01 35 Y E E 83.84 11.36 24.26 35.89 122.56 -154.19 -112.28 135.53 0.35 99.65 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.01 36 V E E 7.46 22.81 16.24 39.30 131.04 -176.08 -130.48 148.35 1.84 98.16 0.00 1.71 0.06 0.00 0.00 0.00 0.00 98.15 0.07 37 D E E 60.20 6.28 24.33 31.04 110.46 -107.52 -71.77 131.33 21.61 78.36 0.03 21.46 0.33 0.02 0.01 0.01 0.00 77.85 0.33 38 L H H 44.11 17.68 14.60 32.15 92.34 -132.18 -59.23 -37.40 1.51 0.00 98.48 0.23 0.15 0.95 97.88 0.79 0.00 0.00 0.00 39 V H H 90.48 2.38 22.56 23.89 91.70 55.12 -63.85 -40.68 0.42 0.00 99.58 0.03 0.02 0.31 98.91 0.71 0.00 0.00 0.00 40 E H H 62.77 9.47 20.00 30.25 91.92 49.58 -66.06 -40.00 0.26 0.00 99.74 0.02 0.01 0.18 98.86 0.92 0.00 0.00 0.00 41 F H H 3.91 25.86 14.47 40.76 91.40 50.98 -64.26 -42.94 0.26 0.00 99.73 0.03 0.01 0.16 99.57 0.22 0.00 0.00 0.00 42 D H H 60.94 9.89 20.55 30.77 91.27 52.55 -62.75 -41.02 0.20 0.00 99.80 0.02 0.01 0.12 99.80 0.04 0.00 0.00 0.00 43 K H H 106.74 2.53 22.86 24.17 91.78 50.82 -64.78 -41.88 0.26 0.00 99.74 0.02 0.01 0.19 99.70 0.08 0.00 0.00 0.00 44 V H H 15.34 16.67 17.25 34.60 91.90 50.37 -64.02 -42.58 0.41 0.00 99.59 0.03 0.02 0.31 99.43 0.21 0.00 0.00 0.00 45 F H H 41.84 19.65 15.82 34.56 92.00 50.95 -64.44 -39.30 1.55 0.00 98.44 0.12 0.08 1.21 97.55 1.04 0.00 0.00 0.00 46 R H H 161.20 2.37 19.84 22.45 92.37 52.06 -67.39 -33.87 12.07 0.02 87.91 0.36 0.47 11.28 86.58 1.27 0.01 0.01 0.01 47 Q H H 114.22 3.21 19.20 22.48 96.57 44.26 -88.68 -16.07 25.76 0.07 74.17 1.33 2.20 21.54 73.68 1.16 0.03 0.02 0.04 48 A C C 20.05 19.80 10.33 28.87 110.63 87.43 -76.73 127.15 78.00 0.88 21.12 49.28 17.71 8.99 21.48 1.59 0.00 0.26 0.70 49 S C C 50.29 6.02 20.00 26.26 124.01 -154.90 -110.68 177.07 90.70 2.21 7.09 72.94 7.98 9.74 3.04 3.62 0.00 0.95 1.73 50 I C T 102.98 8.74 15.52 24.87 95.71 -74.04 -70.64 -21.57 93.10 0.97 5.94 4.67 18.70 70.39 1.08 4.11 0.00 0.53 0.53 51 H C T 122.92 4.90 17.90 23.54 100.21 43.71 -102.01 4.19 94.68 1.46 3.86 8.20 15.96 70.57 0.49 3.34 0.00 1.10 0.33 52 H C C 62.39 12.18 16.10 29.04 121.98 103.59 -99.51 146.28 85.69 13.55 0.76 42.99 41.98 1.54 0.13 0.58 0.00 11.98 0.81 53 V E E 59.76 10.81 20.42 31.79 115.90 -127.61 -94.98 129.09 26.05 73.92 0.02 24.82 0.78 0.04 0.00 0.01 0.00 73.95 0.40 54 I E E 11.04 22.09 16.53 38.89 122.34 -166.01 -115.30 134.95 2.10 97.90 0.00 2.00 0.05 0.00 0.00 0.00 0.00 97.90 0.04 55 V E E 50.40 8.85 25.06 34.68 115.84 -145.99 -101.32 125.49 0.43 99.56 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.57 0.01 56 L E E 7.19 23.57 14.87 39.00 120.38 -166.50 -110.88 131.23 0.50 99.50 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.53 0.01 57 E E E 84.98 5.97 22.42 29.00 115.00 -150.45 -103.48 123.22 1.90 98.10 0.01 1.77 0.06 0.00 0.00 0.00 0.00 97.99 0.16 58 L C C 19.48 17.18 10.65 28.14 122.60 -153.27 -91.01 161.36 83.99 15.96 0.05 82.95 0.81 0.09 0.01 0.03 0.00 15.67 0.43 59 P C T 95.84 4.76 12.76 19.29 91.16 -102.46 -60.81 -28.12 95.46 1.50 3.04 2.78 6.47 85.64 0.09 3.51 0.00 1.28 0.24 60 D C T 118.74 1.06 13.06 13.68 93.63 53.54 -86.17 1.17 96.64 0.23 3.12 1.11 5.25 89.67 0.06 3.69 0.00 0.15 0.06 61 G C S 49.94 3.25 12.32 17.01 98.72 -100.93 88.54 3.19 94.65 2.03 3.32 18.14 70.14 6.41 0.17 3.28 0.00 1.32 0.53 62 Q C C 100.30 3.46 14.11 19.22 117.82 133.33 -79.36 144.69 93.63 6.31 0.06 91.32 2.10 0.23 0.01 0.04 0.00 5.97 0.33 63 S E E 62.49 10.08 13.55 24.89 123.59 -141.21 -109.49 140.63 7.70 92.28 0.02 7.07 0.47 0.04 0.01 0.01 0.00 92.02 0.37 64 L E E 38.14 14.10 16.97 32.05 129.19 -174.81 -131.78 140.87 1.74 98.25 0.00 1.47 0.15 0.01 0.00 0.00 0.00 98.33 0.03 65 P E E 63.45 8.41 23.81 32.49 114.19 -113.55 -69.95 140.02 1.77 98.22 0.00 1.66 0.06 0.00 0.00 0.00 0.00 98.25 0.02 66 T E E 3.27 24.90 16.64 42.29 136.24 177.45 -141.28 156.38 2.61 97.39 0.00 2.47 0.12 0.01 0.00 0.00 0.00 97.36 0.05 67 L E E 32.31 11.78 26.58 39.63 117.18 -125.78 -102.36 131.20 2.18 97.81 0.00 1.97 0.10 0.01 0.00 0.00 0.00 97.83 0.09 68 V E E 5.84 24.58 16.69 42.21 109.92 -125.08 -79.10 123.63 3.11 96.87 0.02 2.82 0.22 0.03 0.00 0.01 0.00 96.86 0.06 69 R E E 98.95 7.89 22.52 31.13 101.53 175.65 -96.99 -33.05 5.12 94.86 0.02 3.31 1.66 0.14 0.00 0.01 0.00 94.83 0.04 70 Q E E 78.37 5.58 24.75 31.04 140.63 -1.37 -154.88 153.74 1.80 98.19 0.01 1.36 0.25 0.03 0.00 0.00 0.00 98.34 0.02 71 V E E 36.80 20.35 14.32 33.82 122.29 -146.18 -117.91 131.70 1.24 98.76 0.01 1.08 0.06 0.01 0.00 0.00 0.00 98.81 0.03 72 N E E 52.79 8.97 19.57 29.71 125.40 -167.37 -120.43 141.02 2.50 97.50 0.01 1.98 0.29 0.02 0.00 0.00 0.00 97.64 0.05 73 L E E 75.23 9.81 14.60 25.64 121.81 -149.11 -110.23 134.97 4.31 95.68 0.01 3.76 0.49 0.02 0.01 0.01 0.00 94.86 0.86 74 D C C 41.63 9.30 10.03 21.52 109.28 -122.42 -81.49 120.74 68.40 31.57 0.03 67.74 0.69 0.08 0.01 0.01 0.00 30.74 0.73 75 K C T 148.67 2.45 10.88 14.99 93.74 -149.39 -66.96 -25.97 99.42 0.15 0.43 0.53 11.51 87.39 0.01 0.42 0.00 0.10 0.03 76 R C T 186.73 0.64 11.31 11.13 97.36 45.57 -78.21 -36.18 99.10 0.33 0.57 0.64 13.07 85.46 0.02 0.54 0.00 0.18 0.10 77 R C T 139.12 2.55 10.62 14.18 102.27 25.72 -103.57 -4.25 98.86 0.55 0.60 4.29 17.94 76.53 0.03 0.71 0.00 0.36 0.13 78 R C T 162.72 4.04 11.84 17.93 96.13 -132.60 52.98 30.84 98.67 0.98 0.35 33.54 20.12 45.02 0.05 0.35 0.00 0.75 0.17 79 R C C 114.58 5.12 17.63 24.13 128.05 112.88 -122.67 147.11 63.61 36.33 0.05 37.93 26.72 0.52 0.01 0.06 0.00 33.03 1.74 80 P E E 27.54 19.23 14.01 32.97 111.71 -106.84 -67.83 137.65 6.65 93.34 0.01 6.22 0.35 0.02 0.00 0.00 0.00 92.31 1.09 81 E E E 70.44 9.42 21.17 31.33 101.87 175.62 -99.02 -29.42 7.15 92.84 0.00 3.31 3.41 0.09 0.00 0.00 0.00 93.16 0.03 82 H E E 54.10 10.59 23.46 34.78 138.50 3.20 -152.48 148.84 0.44 99.55 0.00 0.33 0.04 0.00 0.00 0.00 0.00 99.63 0.00 83 V E E 7.22 24.51 17.17 41.95 126.07 -164.28 -128.64 134.06 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.82 0.00 84 D E E 30.86 11.05 26.32 38.33 120.57 -164.39 -113.77 132.41 0.40 99.60 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.00 85 F E E 13.19 23.90 18.50 42.28 124.26 -165.29 -116.47 136.63 0.54 99.46 0.00 0.45 0.03 0.00 0.00 0.00 0.00 99.52 0.00 86 F E E 51.67 12.66 24.09 36.98 127.25 -171.02 -124.15 142.05 0.31 99.69 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.01 87 V E E 44.61 14.72 20.42 35.20 116.57 -135.13 -92.33 131.07 1.18 98.81 0.00 1.16 0.03 0.00 0.00 0.00 0.00 98.76 0.05 88 L E E 31.68 17.95 14.38 32.26 117.09 -149.14 -97.54 133.67 20.08 79.86 0.05 18.94 0.72 0.09 0.01 0.03 0.00 79.75 0.46 89 S E E 60.27 6.14 16.73 23.87 119.24 -156.78 -104.38 136.01 46.93 52.87 0.21 41.95 3.11 0.57 0.05 0.16 0.00 52.79 1.35 90 D C C 94.85 7.12 10.41 18.94 100.18 -144.85 -83.21 1.03 84.16 15.46 0.39 78.65 2.62 2.09 0.08 0.28 0.00 15.21 1.06 91 D C C 114.69 1.87 13.48 16.05 102.16 92.18 -82.92 23.69 99.90 0.09 0.01 99.60 0.22 0.11 0.00 0.00 0.00 0.05 0.01