# 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 48.72 15.16 20.22 35.08 121.21 -159.91 -109.19 137.87 98.42 1.57 0.00 98.06 0.36 0.04 0.00 0.00 0.00 1.50 0.03 1 Y E E 55.44 13.99 21.56 35.66 130.25 -161.79 -127.22 146.70 5.94 94.06 0.00 5.86 0.12 0.00 0.00 0.00 0.00 93.89 0.13 2 A E E 5.38 21.63 19.41 41.36 129.42 -165.73 -128.19 144.81 0.39 99.61 0.00 0.36 0.00 0.00 0.00 0.00 0.00 99.63 0.00 3 I E E 26.60 13.75 24.89 39.48 116.75 -145.35 -105.97 126.24 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 4 I E E 6.51 23.31 18.33 42.00 121.96 -169.39 -116.86 132.98 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 5 K E E 74.89 8.74 22.93 32.36 115.20 -149.77 -103.93 124.30 0.89 99.11 0.00 0.72 0.03 0.00 0.00 0.00 0.00 99.24 0.01 6 T E E 23.00 18.20 12.53 30.43 119.85 173.70 -132.14 118.95 8.74 91.21 0.05 5.76 1.86 0.52 0.00 0.06 0.00 91.61 0.19 7 G C T 52.29 4.42 15.76 21.38 96.36 -20.85 57.99 33.44 99.28 0.47 0.25 0.45 6.28 92.61 0.00 0.27 0.00 0.34 0.04 8 G C T 64.11 1.18 14.84 15.72 96.66 -42.13 81.76 0.52 99.67 0.17 0.16 0.55 6.80 92.32 0.00 0.19 0.00 0.12 0.02 9 K E E 117.97 3.78 14.69 20.39 125.19 98.65 -110.66 143.06 7.93 92.06 0.01 6.04 1.31 0.07 0.00 0.01 0.00 92.43 0.14 10 Q E E 99.90 9.38 13.82 24.49 119.24 -137.53 -100.34 133.19 1.99 98.01 0.00 1.72 0.05 0.00 0.00 0.00 0.00 98.21 0.01 11 V E E 30.25 14.93 15.34 31.26 125.84 -170.88 -124.79 138.99 0.22 99.78 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 12 K E E 118.12 5.67 22.92 29.55 115.08 -134.96 -90.34 129.89 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 13 V E E 8.81 23.56 12.25 35.73 127.74 -171.56 -126.53 143.34 1.21 98.79 0.00 1.20 0.01 0.00 0.00 0.00 0.00 98.75 0.04 14 E E E 100.66 3.80 23.94 27.41 123.56 -144.38 -105.18 150.22 48.39 51.60 0.01 47.88 0.63 0.05 0.00 0.01 0.00 50.85 0.58 15 V C T 79.63 11.64 13.95 26.07 109.87 -85.65 -59.74 133.75 99.03 0.79 0.18 0.30 1.70 97.37 0.01 0.11 0.00 0.46 0.07 16 G C T 49.59 3.38 18.84 22.88 96.18 22.23 87.77 -6.54 99.71 0.20 0.09 0.32 1.97 97.49 0.00 0.06 0.00 0.14 0.01 17 Q C C 80.55 8.12 17.16 26.54 119.86 120.50 -82.45 147.78 95.96 3.98 0.05 83.03 12.69 0.25 0.01 0.05 0.00 3.57 0.39 18 A E E 52.94 10.80 18.53 29.77 117.97 -127.40 -90.56 137.24 29.57 70.39 0.04 30.26 0.36 0.04 0.01 0.02 0.00 67.77 1.53 19 I E E 18.19 21.04 15.80 36.66 125.80 -168.60 -123.14 139.44 7.65 92.30 0.05 7.14 0.34 0.05 0.02 0.02 0.00 92.17 0.25 20 Y E E 106.00 8.47 23.64 32.53 118.19 -145.18 -106.96 128.53 4.30 95.62 0.07 4.03 0.26 0.05 0.04 0.03 0.00 95.36 0.23 21 V E E 14.95 21.95 14.51 36.45 118.08 -164.80 -111.45 123.51 12.01 87.51 0.49 11.52 0.61 0.20 0.25 0.22 0.00 86.62 0.58 22 E E E 93.86 6.67 21.66 28.61 112.88 -158.74 -90.14 140.58 42.18 56.74 1.09 25.81 12.14 3.59 0.15 1.03 0.00 56.82 0.44 23 K C C 115.20 7.33 20.08 28.08 120.59 -24.23 -110.72 122.37 61.06 38.06 0.88 44.10 12.61 3.70 0.10 1.05 0.00 37.52 0.91 24 L C C 35.67 19.50 11.75 30.36 116.82 -168.89 -105.54 127.36 73.95 25.65 0.40 68.04 4.72 0.78 0.11 0.34 0.00 22.84 3.19 25 N C C 124.05 1.78 22.09 23.02 100.12 -133.76 -74.29 51.70 93.02 6.85 0.13 75.84 15.55 1.79 0.02 0.16 0.00 5.85 0.78 26 V C C 28.34 17.36 10.47 27.59 131.38 127.25 -123.12 155.74 92.34 7.60 0.06 81.16 11.54 0.21 0.01 0.04 0.00 1.54 5.50 27 E C C 129.91 1.76 21.11 21.55 118.61 -116.36 -84.06 151.39 99.04 0.87 0.08 98.22 0.78 0.19 0.02 0.03 0.00 0.33 0.43 28 A C T 62.86 10.27 12.29 23.49 109.52 -86.25 -59.25 134.17 99.64 0.18 0.18 0.23 1.73 97.79 0.01 0.11 0.00 0.09 0.04 29 G C T 50.76 2.79 17.67 20.99 95.69 23.40 88.32 -5.81 99.83 0.08 0.08 0.35 1.63 97.89 0.00 0.06 0.00 0.06 0.01 30 E C C 80.39 7.99 15.32 24.99 119.10 128.74 -76.63 147.42 96.56 3.42 0.02 94.03 2.49 0.07 0.00 0.01 0.00 3.25 0.14 31 K E E 115.40 7.71 18.33 27.51 119.86 -134.98 -103.60 135.58 6.26 93.74 0.01 6.38 0.13 0.01 0.00 0.00 0.00 92.94 0.53 32 V E E 14.26 20.98 14.75 35.72 127.04 -171.62 -124.56 143.68 0.59 99.41 0.00 0.57 0.01 0.00 0.00 0.00 0.00 99.41 0.02 33 V E E 66.98 7.89 24.46 32.86 118.95 -150.11 -109.93 129.16 0.85 99.15 0.00 0.80 0.02 0.00 0.00 0.00 0.00 99.16 0.03 34 F E E 12.13 23.47 13.72 37.32 120.08 -162.74 -109.73 134.42 5.95 94.04 0.01 5.70 0.17 0.01 0.00 0.00 0.00 93.98 0.12 35 D E E 79.09 5.73 23.64 29.90 98.36 -169.77 -87.36 -24.68 24.95 74.95 0.10 12.44 11.30 0.59 0.01 0.09 0.00 75.48 0.10 36 E E E 65.39 9.93 24.31 34.72 134.23 16.57 -142.99 144.85 14.47 85.44 0.10 10.13 3.46 0.27 0.01 0.06 0.00 85.97 0.08 37 V E E 5.97 24.81 18.98 44.10 121.47 -156.23 -116.30 131.91 2.76 97.22 0.02 2.65 0.12 0.01 0.00 0.01 0.00 97.14 0.06 38 I E E 13.59 18.21 25.43 43.66 119.62 -159.45 -111.55 130.06 0.44 99.56 0.00 0.40 0.02 0.00 0.00 0.00 0.00 99.56 0.01 39 L E E 19.05 19.39 24.42 43.33 118.06 -156.90 -104.69 128.43 0.45 99.54 0.00 0.41 0.02 0.00 0.00 0.00 0.00 99.56 0.01 40 V E E 15.97 18.69 20.69 39.47 122.64 -168.84 -119.70 131.01 5.14 94.84 0.02 4.26 0.50 0.05 0.00 0.01 0.00 94.99 0.17 41 G E E 19.56 13.47 18.72 32.29 135.74 167.84 -141.74 165.45 49.64 50.17 0.19 35.02 11.67 1.97 0.02 0.20 0.00 50.63 0.50 42 G C S 36.49 7.27 17.29 25.29 122.63 40.11 120.31 -154.09 92.07 6.71 1.22 20.21 45.91 26.00 0.09 1.32 0.00 5.78 0.69 43 E C S 157.58 1.47 16.20 17.56 97.61 -25.28 -81.77 -16.67 96.79 1.29 1.92 17.20 44.50 35.11 0.21 1.80 0.00 0.85 0.34 44 S C C 69.71 3.61 17.28 21.78 126.35 28.87 -129.61 149.62 86.39 12.27 1.33 40.68 26.40 19.20 0.19 1.31 0.00 11.46 0.76 45 T E E 48.32 17.48 11.92 28.61 119.89 -140.42 -107.08 131.90 43.31 56.35 0.34 38.48 2.82 0.62 0.09 0.20 0.00 57.10 0.68 46 K E E 101.17 7.11 21.04 29.22 123.52 -169.97 -120.78 134.60 8.98 90.83 0.19 8.03 0.77 0.16 0.13 0.08 0.00 88.95 1.86 47 V E E 59.51 15.32 14.90 29.99 120.74 -160.42 -112.90 130.96 13.25 86.48 0.28 11.08 1.78 0.46 0.17 0.15 0.00 84.81 1.57 48 G C S 32.26 7.35 19.37 27.09 126.25 29.63 101.05 -164.94 77.28 22.58 0.14 28.01 45.34 3.25 0.02 0.13 0.00 22.66 0.59 49 A C S 68.60 5.36 19.95 26.05 115.03 -36.98 -83.67 136.24 92.24 7.66 0.09 36.80 54.32 1.38 0.01 0.09 0.00 6.83 0.57 50 P C C 50.06 16.68 14.97 30.88 107.14 -114.50 -68.25 137.43 90.85 8.65 0.49 59.16 27.21 4.47 0.07 0.54 0.00 7.72 0.84 51 T C C 65.27 9.55 22.08 31.62 115.45 -139.38 -103.23 125.40 54.60 44.65 0.75 41.40 10.02 3.07 0.22 0.67 0.00 31.63 12.99 52 V C C 15.76 23.11 13.21 35.71 109.10 -152.71 -107.06 67.57 50.31 49.08 0.60 42.09 5.90 0.98 0.23 0.47 0.00 40.80 9.54 53 A C T 74.83 4.10 21.30 26.30 112.49 -137.01 -75.96 134.94 65.82 33.54 0.64 10.77 15.82 41.08 0.07 0.59 0.00 30.05 1.61 54 G C T 47.79 3.87 21.22 25.34 96.84 15.50 81.76 1.04 80.52 19.21 0.27 7.68 28.85 42.69 0.01 0.32 0.00 20.09 0.36 55 A C C 12.05 22.09 12.22 33.71 120.46 144.24 -87.84 148.49 76.61 23.35 0.04 71.53 3.11 0.15 0.01 0.04 0.00 24.90 0.27 56 T E E 53.00 8.33 26.20 35.15 122.54 -155.22 -115.97 137.09 3.82 96.18 0.00 3.72 0.15 0.01 0.00 0.00 0.00 95.95 0.17 57 V E E 5.65 25.76 16.47 42.79 123.67 -164.92 -120.06 133.20 0.22 99.78 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 58 E E E 74.87 8.13 27.25 36.04 122.84 -170.09 -118.08 134.80 0.17 99.83 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 59 G E E 5.68 23.33 16.47 39.33 138.06 162.28 -140.27 165.47 0.42 99.58 0.00 0.33 0.02 0.00 0.00 0.00 0.00 99.66 0.00 60 T E E 52.81 7.26 26.52 34.78 124.77 -138.22 -124.45 138.43 0.21 99.79 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 61 V E E 21.09 21.71 14.31 36.12 110.03 -118.90 -80.06 123.59 0.46 99.53 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.53 0.01 62 E E E 87.71 6.10 20.71 27.71 99.93 176.52 -91.42 -34.60 7.48 92.50 0.02 3.30 3.36 0.26 0.00 0.01 0.00 93.02 0.04 63 K E E 101.07 4.23 22.51 27.38 137.88 1.96 -150.93 150.66 9.54 90.45 0.02 3.38 5.33 0.36 0.00 0.01 0.00 90.84 0.08 64 H E E 88.05 15.87 14.08 29.11 121.03 -147.01 -107.21 132.40 16.26 83.68 0.07 13.57 1.88 0.22 0.01 0.05 0.00 84.05 0.21 65 G E E 21.72 9.55 16.75 27.32 135.79 158.16 -137.58 172.28 25.01 74.89 0.09 21.74 2.55 0.27 0.03 0.06 0.00 74.73 0.62 66 K E E 132.71 5.06 16.27 23.03 119.88 -96.07 -101.93 138.87 24.11 75.79 0.10 19.90 4.01 0.34 0.03 0.08 0.00 74.07 1.58 67 Q E E 74.70 11.16 12.66 24.60 125.46 -161.94 -113.19 147.54 38.17 61.62 0.20 31.21 5.74 0.55 0.04 0.16 0.00 61.65 0.65 68 K E E 123.08 5.50 16.56 23.35 115.71 -114.55 -86.55 139.79 36.99 62.71 0.30 30.61 4.76 0.51 0.06 0.21 0.00 63.46 0.39 69 K E E 89.00 10.16 14.35 25.44 120.20 -131.67 -102.88 139.76 20.11 79.51 0.38 17.48 1.92 0.33 0.12 0.22 0.00 79.54 0.39 70 V E E 51.81 10.57 14.95 27.10 118.90 -142.99 -107.48 130.35 4.37 95.30 0.34 4.09 0.25 0.08 0.16 0.13 0.00 95.09 0.20 71 V E E 44.79 10.50 16.17 28.54 119.31 -159.39 -109.60 130.50 2.12 97.69 0.20 1.95 0.09 0.02 0.08 0.06 0.00 97.73 0.06 72 T E E 44.64 9.76 16.47 28.02 119.96 -162.08 -110.96 132.02 2.51 97.30 0.19 2.20 0.15 0.04 0.06 0.06 0.00 97.44 0.05 73 F E E 62.83 10.86 14.88 27.42 123.66 -168.60 -117.84 139.62 4.20 95.59 0.20 3.67 0.32 0.08 0.06 0.08 0.00 95.64 0.15 74 Q E E 81.02 7.06 16.08 24.71 120.54 -155.13 -111.47 131.87 14.41 85.31 0.29 11.82 2.09 0.36 0.09 0.15 0.00 85.20 0.29 75 Y E E 89.80 9.55 11.12 22.27 117.36 -150.59 -103.26 132.51 37.70 61.79 0.51 29.19 7.84 1.12 0.15 0.35 0.00 60.46 0.89 76 K C C 104.20 4.19 11.55 17.55 114.43 -147.77 -97.08 127.25 71.98 26.17 1.84 53.19 14.21 3.67 0.45 1.43 0.00 25.75 1.30 77 P C T 93.37 4.06 8.96 14.77 98.55 -125.26 -64.67 -26.23 78.48 4.51 17.00 23.07 19.67 36.67 2.71 13.63 0.01 3.36 0.89 78 K C T 171.35 0.66 10.18 10.22 98.06 46.73 -75.95 -13.29 78.51 3.18 18.31 20.36 20.26 38.77 2.99 14.54 0.01 2.10 0.97 79 K C T 136.74 2.11 9.30 12.55 107.30 38.75 -100.47 40.52 80.41 3.71 15.89 18.33 24.28 38.76 2.31 12.87 0.01 2.35 1.09 80 H C T 143.91 2.77 10.17 14.51 101.08 -124.09 9.75 47.68 84.32 9.14 6.54 26.39 20.15 38.33 1.02 5.38 0.00 7.77 0.96 81 S C C 56.40 6.02 9.63 17.51 119.68 149.70 -103.10 145.58 59.57 37.53 2.91 44.81 9.74 5.02 0.66 2.44 0.00 35.41 1.93 82 H E E 110.83 6.01 11.41 19.16 118.22 -153.04 -109.02 133.37 42.14 56.48 1.38 34.06 5.57 2.39 0.33 0.99 0.00 55.59 1.07 83 R E E 128.05 6.53 12.87 21.18 121.61 -157.40 -111.30 136.59 29.28 69.93 0.78 23.40 4.15 1.41 0.19 0.53 0.00 69.72 0.59 84 K E E 102.99 9.54 12.96 23.56 122.21 -161.15 -112.78 136.96 20.39 79.05 0.56 16.04 2.88 0.99 0.13 0.37 0.00 79.15 0.44 85 Q E E 102.50 6.30 15.74 23.60 123.92 -168.23 -119.01 139.72 15.32 84.36 0.31 12.00 2.32 0.65 0.07 0.20 0.00 84.36 0.39 86 G E E 26.30 11.35 13.49 25.40 131.38 94.74 -131.26 171.94 13.47 86.36 0.17 11.10 1.82 0.25 0.05 0.10 0.00 86.32 0.35 87 H E E 97.03 7.83 17.00 25.91 124.70 -113.25 -117.81 143.67 12.24 87.67 0.09 11.28 0.76 0.12 0.03 0.06 0.00 86.08 1.68 88 R E E 109.14 11.57 14.65 26.74 118.57 -131.52 -95.09 136.06 35.47 64.46 0.07 32.00 3.01 0.21 0.02 0.06 0.00 62.56 2.14 89 Q C C 72.84 10.80 16.06 27.72 117.43 -138.89 -96.49 135.83 71.62 28.36 0.02 66.82 3.80 0.13 0.00 0.02 0.00 28.81 0.42 90 P C C 61.66 10.01 17.66 28.31 110.06 -113.46 -69.63 142.49 69.74 30.23 0.03 60.26 7.16 0.29 0.00 0.04 0.00 31.92 0.33 91 Y E E 67.72 14.06 17.30 31.55 131.96 -162.86 -129.55 152.39 15.22 84.75 0.03 13.23 1.56 0.11 0.00 0.02 0.00 84.52 0.55 92 T E E 26.84 16.09 18.12 34.75 124.06 -141.18 -113.62 140.79 3.51 96.49 0.00 3.25 0.12 0.00 0.00 0.00 0.00 96.54 0.08 93 K E E 73.26 11.69 22.51 34.36 122.68 -155.06 -113.88 136.45 1.32 98.68 0.00 1.16 0.06 0.00 0.00 0.00 0.00 98.76 0.02 94 V E E 14.43 21.89 17.40 39.35 120.67 -157.94 -111.56 128.78 0.67 99.33 0.00 0.62 0.01 0.00 0.00 0.00 0.00 99.36 0.00 95 M E E 64.20 8.50 24.84 33.94 117.56 -157.52 -106.17 126.47 0.42 99.57 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.59 0.01 96 I E E 16.97 22.12 13.09 35.30 112.54 -145.34 -92.72 121.46 0.80 99.19 0.00 0.78 0.01 0.00 0.00 0.00 0.00 99.19 0.02 97 E E E 104.17 4.45 21.41 26.26 100.61 178.40 -93.51 -32.17 5.92 94.04 0.04 3.74 1.50 0.13 0.00 0.03 0.00 94.59 0.03 98 A E E 50.98 5.07 22.26 27.97 139.44 0.49 -153.26 153.63 5.21 94.72 0.06 3.79 0.86 0.14 0.00 0.04 0.00 95.12 0.04 99 I E E 40.17 20.63 11.16 30.60 120.39 -152.47 -116.65 127.87 6.52 93.45 0.03 6.02 0.36 0.04 0.01 0.02 0.00 92.97 0.58 100 N E E 88.84 4.79 18.32 23.88 120.18 -167.37 -112.50 132.73 29.81 70.13 0.06 28.30 0.84 0.18 0.02 0.04 0.00 69.72 0.91 101 A C C 67.46 8.45 13.99 23.22 105.90 -123.09 -79.13 104.60 99.60 0.40 0.00 99.57 0.09 0.01 0.00 0.00 0.00 0.32 0.01