# 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 92.16 9.76 16.38 26.55 114.11 -148.33 -93.64 131.68 99.92 0.08 0.00 99.90 0.04 0.01 0.00 0.00 0.00 0.04 0.00 1 N C C 70.21 11.02 16.22 27.63 113.98 -143.24 -94.70 128.99 75.37 24.53 0.10 73.21 0.88 0.51 0.02 0.07 0.00 24.41 0.91 2 H E E 67.09 12.66 18.38 31.30 123.41 -161.25 -111.84 138.87 31.21 68.70 0.09 27.09 3.07 0.33 0.01 0.08 0.00 68.65 0.78 3 Y E E 23.93 20.05 17.93 37.89 127.90 -167.37 -123.61 143.60 7.81 92.17 0.02 7.26 0.39 0.03 0.01 0.01 0.00 92.02 0.28 4 E E E 40.59 15.22 24.77 39.79 124.44 -158.64 -117.35 136.83 3.53 96.46 0.01 3.21 0.19 0.01 0.00 0.00 0.00 96.54 0.04 5 T E E 5.74 23.39 22.12 45.23 128.88 -169.11 -127.04 142.68 1.77 98.23 0.00 1.65 0.07 0.00 0.00 0.00 0.00 98.26 0.02 6 V E E 12.35 20.18 26.51 46.07 122.54 -159.66 -117.41 131.84 0.69 99.31 0.00 0.63 0.02 0.00 0.00 0.00 0.00 99.33 0.01 7 F E E 5.71 24.70 25.72 49.61 123.98 -169.13 -119.33 132.83 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 8 I E E 11.10 21.32 27.90 48.39 117.10 -159.92 -108.95 123.98 0.22 99.78 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.01 9 L E E 5.57 24.28 22.02 45.95 130.03 -176.31 -122.52 147.80 4.32 95.67 0.00 4.22 0.09 0.00 0.00 0.00 0.00 95.42 0.26 10 N C C 35.12 14.04 22.93 37.18 111.15 -111.49 -75.48 131.75 86.42 13.56 0.01 85.65 1.05 0.05 0.00 0.01 0.00 12.94 0.31 11 P C T 47.25 15.19 17.20 32.57 93.52 -132.01 -65.31 -21.08 98.15 1.29 0.55 2.45 14.55 81.20 0.03 0.56 0.00 1.08 0.14 12 V C T 99.02 3.91 21.52 25.74 94.81 64.64 -86.28 -3.65 98.25 1.00 0.75 4.00 12.24 82.07 0.06 0.74 0.00 0.72 0.17 13 L C S 26.32 19.36 9.09 27.58 117.90 109.26 -78.43 142.66 97.39 2.20 0.41 47.87 49.21 0.51 0.19 0.16 0.00 0.71 1.35 14 S C C 60.77 2.26 19.95 20.92 120.04 -114.45 -75.44 161.16 99.41 0.41 0.18 98.90 0.56 0.07 0.12 0.01 0.00 0.10 0.22 15 E H H 122.47 6.94 12.66 21.43 91.23 -107.15 -57.63 -38.25 1.68 0.00 98.32 0.25 0.23 0.97 98.23 0.31 0.00 0.00 0.00 16 V H H 105.28 1.14 18.12 17.40 92.18 52.87 -64.58 -40.67 0.84 0.00 99.16 0.09 0.07 0.56 98.96 0.31 0.00 0.00 0.00 17 Q H H 70.99 7.73 17.19 26.04 92.15 48.60 -66.36 -40.00 0.39 0.00 99.61 0.06 0.03 0.22 99.40 0.28 0.00 0.00 0.00 18 V H H 10.18 21.63 12.84 34.31 91.44 51.18 -62.91 -43.22 0.22 0.00 99.78 0.04 0.01 0.10 99.79 0.05 0.00 0.00 0.00 19 K H H 113.76 5.25 20.82 26.94 91.28 50.90 -62.97 -41.19 0.23 0.00 99.77 0.03 0.01 0.12 99.82 0.03 0.00 0.00 0.00 20 E H H 103.26 2.27 23.51 24.18 91.83 49.16 -64.58 -41.77 0.36 0.00 99.64 0.03 0.01 0.25 99.67 0.04 0.00 0.00 0.00 21 T H H 12.66 17.67 19.35 37.29 91.97 48.95 -64.58 -42.84 0.77 0.00 99.23 0.05 0.03 0.57 99.30 0.05 0.00 0.00 0.00 22 V H H 10.94 21.48 18.93 40.10 91.46 50.08 -63.39 -43.03 0.37 0.00 99.63 0.04 0.02 0.24 99.66 0.03 0.00 0.00 0.00 23 T H H 72.13 3.63 24.29 27.51 91.56 50.77 -63.37 -41.91 0.14 0.00 99.85 0.02 0.00 0.09 99.85 0.04 0.00 0.00 0.00 24 K H H 91.88 5.94 23.64 29.77 91.73 49.78 -64.59 -41.68 0.14 0.00 99.86 0.01 0.00 0.11 99.83 0.05 0.00 0.00 0.00 25 F H H 5.57 24.65 18.57 43.17 91.71 49.41 -64.54 -42.77 0.09 0.00 99.91 0.00 0.00 0.06 99.90 0.03 0.00 0.00 0.00 26 E H H 54.87 16.29 20.40 35.75 91.35 52.68 -61.71 -41.88 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 27 E H H 112.14 1.84 24.96 24.76 91.61 50.37 -63.89 -41.27 0.12 0.00 99.88 0.00 0.00 0.08 99.89 0.02 0.00 0.00 0.00 28 F H H 39.06 11.67 20.13 32.93 91.87 49.50 -64.39 -42.91 0.17 0.00 99.83 0.01 0.00 0.13 99.82 0.04 0.00 0.00 0.00 29 L H H 3.86 24.95 13.63 38.89 91.75 49.27 -64.46 -42.78 0.47 0.00 99.53 0.04 0.02 0.36 99.42 0.17 0.00 0.00 0.00 30 T H H 71.32 8.40 17.69 26.78 92.18 49.93 -65.53 -39.96 1.24 0.00 98.75 0.07 0.05 1.06 98.32 0.50 0.00 0.00 0.00 31 S H H 88.86 1.29 18.99 19.34 90.25 55.64 -66.51 -25.26 10.24 0.01 89.76 0.14 0.22 10.51 88.57 0.55 0.01 0.00 0.00 32 R C T 97.32 10.71 14.84 26.44 94.54 50.00 -94.55 6.02 88.34 0.02 11.64 0.13 0.70 87.86 10.82 0.46 0.00 0.00 0.01 33 G C T 45.19 3.46 22.12 25.69 98.97 -99.18 91.35 10.41 99.86 0.01 0.13 0.37 0.69 98.88 0.04 0.02 0.00 0.00 0.00 34 A C C 8.91 23.71 9.38 32.13 120.25 142.17 -82.91 149.24 94.23 5.75 0.02 93.27 1.15 0.06 0.00 0.01 0.00 5.38 0.13 35 E E E 113.85 3.07 24.89 27.69 118.19 -139.79 -105.39 132.71 23.61 76.34 0.05 22.26 0.72 0.06 0.01 0.03 0.00 76.65 0.26 36 M E E 66.13 18.68 13.09 30.87 110.22 -123.93 -77.88 123.19 1.59 98.41 0.01 1.64 0.03 0.00 0.00 0.00 0.00 98.25 0.07 37 V E E 70.65 6.96 18.13 26.41 101.24 175.16 -96.30 -31.58 2.10 97.89 0.01 1.48 0.34 0.03 0.00 0.00 0.00 98.13 0.01 38 S E E 45.12 6.13 20.81 28.16 141.38 -3.10 -159.07 155.89 0.92 99.07 0.00 0.67 0.10 0.01 0.00 0.00 0.00 99.21 0.01 39 K E E 92.46 16.81 13.01 29.07 128.70 -165.50 -137.83 136.39 1.30 98.69 0.01 1.12 0.07 0.01 0.00 0.00 0.00 98.79 0.01 40 E E E 88.13 6.35 19.56 27.08 126.83 -175.12 -130.76 139.87 3.14 96.85 0.01 2.64 0.23 0.02 0.00 0.01 0.00 97.06 0.04 41 D E E 91.80 7.13 16.24 24.95 111.26 -125.84 -84.33 121.92 9.52 90.44 0.03 8.35 0.48 0.05 0.01 0.02 0.00 91.00 0.09 42 W E E 87.46 13.14 13.86 27.51 100.91 175.42 -102.59 -2.76 24.64 74.87 0.48 20.90 2.05 0.64 0.17 0.24 0.00 75.65 0.34 43 G E E 28.65 4.50 19.38 24.87 127.62 -124.10 96.28 -170.10 16.86 82.57 0.57 10.92 5.48 1.28 0.19 0.33 0.00 81.37 0.42 44 L E E 90.90 10.22 14.32 25.26 116.00 -39.16 -83.75 133.42 10.55 88.62 0.83 8.57 1.62 0.47 0.41 0.31 0.00 88.21 0.41 45 K E E 87.56 9.23 15.08 25.64 127.34 -174.62 -122.27 148.18 7.64 91.57 0.79 6.42 0.89 0.33 0.43 0.26 0.00 91.32 0.35 46 K E E 142.38 3.22 17.16 21.75 114.18 -116.88 -81.77 133.09 10.85 88.47 0.68 9.64 0.94 0.29 0.41 0.22 0.00 87.88 0.62 47 M E E 48.11 16.84 8.55 24.55 114.64 -130.39 -81.09 138.29 47.39 51.21 1.39 43.17 2.55 0.66 0.68 0.50 0.00 51.52 0.92 48 A C S 80.46 2.64 15.56 18.93 95.04 -142.80 -76.74 -21.52 71.65 27.52 0.83 26.41 40.87 4.05 0.17 0.57 0.00 27.24 0.69 49 Y C S 118.05 4.39 14.42 20.22 127.46 44.24 -127.84 151.00 64.40 34.90 0.70 13.06 48.21 3.53 0.13 0.45 0.00 33.62 0.98 50 E C C 126.31 3.98 13.88 19.48 112.50 -102.87 -73.80 133.94 61.58 36.94 1.48 56.60 3.18 1.04 0.57 0.78 0.00 35.80 2.02 51 I C C 50.20 13.84 8.42 22.21 118.53 -170.36 -120.19 124.70 60.88 36.11 3.00 51.71 5.08 2.62 1.44 1.74 0.01 26.28 11.12 52 Q C T 135.46 2.62 13.55 16.99 98.62 -16.86 42.31 50.71 89.29 5.61 5.09 15.67 22.73 51.22 0.81 4.17 0.01 4.39 1.00 53 N C T 135.32 1.34 13.57 15.14 95.14 -33.31 61.12 22.01 91.69 4.17 4.14 14.57 24.82 52.35 0.44 3.84 0.00 3.42 0.57 54 K C C 89.74 9.10 11.74 22.15 122.78 111.02 -111.01 139.81 54.50 43.70 1.80 40.42 9.77 4.80 0.37 1.57 0.00 40.16 2.91 55 K E E 106.03 8.46 16.10 25.58 112.66 -164.89 -106.57 95.04 41.19 58.54 0.27 31.76 7.54 1.50 0.05 0.23 0.00 57.99 0.93 56 S E E 35.77 10.67 19.57 31.00 135.54 86.38 -140.19 156.15 24.46 75.39 0.15 18.54 5.12 0.87 0.03 0.13 0.00 74.78 0.53 57 G E E 8.27 15.83 19.26 35.65 143.17 147.35 -170.13 172.36 11.47 88.48 0.06 8.80 2.20 0.21 0.01 0.04 0.00 88.57 0.17 58 F E E 34.83 14.87 22.08 37.68 128.51 -98.56 -124.41 144.84 2.20 97.80 0.00 1.94 0.13 0.00 0.00 0.00 0.00 97.88 0.05 59 Y E E 32.23 17.80 21.10 38.82 122.65 -156.37 -113.20 134.85 0.62 99.37 0.00 0.53 0.02 0.00 0.00 0.00 0.00 99.44 0.01 60 H E E 19.92 18.37 21.48 39.98 124.31 -167.69 -119.91 135.42 0.24 99.76 0.00 0.21 0.01 0.00 0.00 0.00 0.00 99.78 0.00 61 L E E 26.09 15.71 23.55 39.53 120.03 -159.87 -113.09 128.25 0.22 99.78 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 62 F E E 15.62 20.48 20.93 41.39 123.54 -169.29 -118.77 134.66 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 63 E E E 45.97 13.20 24.25 37.77 120.93 -163.20 -115.53 129.86 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 64 F E E 16.17 21.04 18.71 39.77 129.35 -175.47 -128.01 143.92 0.40 99.60 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.60 0.01 65 K E E 88.48 9.69 24.28 34.25 120.17 -156.55 -113.35 129.13 3.05 96.94 0.01 2.62 0.28 0.02 0.00 0.00 0.00 96.98 0.09 66 V E E 15.33 19.16 15.37 34.93 135.47 163.65 -142.10 155.67 22.18 77.77 0.05 20.08 1.68 0.09 0.02 0.03 0.00 77.47 0.64 67 A C C 51.21 5.80 21.03 27.14 113.81 -99.14 -70.79 145.33 75.56 24.18 0.26 72.40 1.57 0.23 0.11 0.08 0.00 25.15 0.45 68 G H H 33.24 11.19 15.68 27.04 97.59 -98.23 -25.92 -51.54 20.19 0.35 79.46 4.00 4.05 12.25 68.01 11.22 0.11 0.22 0.13 69 E H H 138.16 1.84 20.45 21.44 92.40 52.86 -67.95 -29.54 10.93 0.14 88.93 1.78 1.36 7.28 78.01 11.39 0.05 0.09 0.04 70 V H H 35.41 13.64 16.60 30.74 94.23 52.11 -73.28 -32.31 6.75 0.15 93.09 1.89 0.90 3.72 81.36 11.96 0.02 0.11 0.03 71 L H H 18.03 21.63 14.73 35.81 92.14 59.11 -63.39 -42.48 2.93 0.04 97.03 1.19 0.40 1.31 94.68 2.39 0.00 0.03 0.01 72 I H H 90.01 4.36 21.76 26.16 91.83 51.73 -63.69 -41.02 1.58 0.02 98.40 0.50 0.15 0.84 97.69 0.79 0.00 0.01 0.00 73 A H H 50.17 4.15 21.57 25.83 91.52 50.62 -64.42 -40.42 1.33 0.01 98.65 0.30 0.10 0.80 98.19 0.59 0.00 0.01 0.00 74 F H H 13.33 21.01 16.18 37.32 92.17 50.31 -64.87 -42.24 0.96 0.01 99.03 0.23 0.08 0.53 98.62 0.53 0.00 0.00 0.00 75 E H H 63.45 14.74 18.50 32.68 91.66 52.60 -62.36 -42.01 1.19 0.01 98.80 0.30 0.09 0.64 98.53 0.44 0.00 0.00 0.00 76 T H H 75.19 2.01 21.80 22.11 91.79 49.65 -64.34 -41.44 2.57 0.02 97.41 0.39 0.18 1.77 96.66 0.98 0.01 0.01 0.00 77 E H H 68.98 7.93 18.50 27.53 92.03 49.86 -65.77 -40.46 5.07 0.03 94.91 0.54 0.35 3.89 93.83 1.36 0.01 0.01 0.01 78 F H H 16.34 21.16 12.07 32.95 92.72 49.65 -69.65 -33.13 16.02 0.20 83.79 2.75 1.55 11.64 81.12 2.72 0.04 0.09 0.09 79 R H H 131.86 7.33 16.00 24.53 91.51 61.60 -66.00 -27.62 44.23 0.41 55.35 6.11 2.93 34.44 53.20 2.91 0.03 0.20 0.19 80 R C T 171.27 1.40 16.89 17.57 94.23 52.65 -81.74 -12.11 62.66 0.77 36.57 8.73 7.08 45.72 34.53 3.22 0.03 0.37 0.32 81 D C C 52.66 11.80 10.22 22.77 110.66 85.15 -97.25 111.45 88.82 1.49 9.69 67.40 14.06 6.16 9.24 1.66 0.00 0.73 0.74 82 E C T 141.08 3.54 14.28 19.72 93.76 -160.23 -70.36 -16.83 65.66 1.36 32.98 15.16 15.32 34.39 21.49 12.21 0.04 0.91 0.48 83 R C T 136.81 5.63 16.23 22.90 93.58 67.28 -77.79 -12.11 58.21 7.58 34.22 16.02 11.95 29.53 22.26 12.31 0.17 6.43 1.33 84 V E E 29.47 18.84 12.21 30.38 108.32 76.12 -91.44 89.90 31.81 38.38 29.81 19.13 7.12 7.78 21.27 8.73 0.28 32.72 2.95 85 M E E 75.49 12.33 16.88 29.25 105.78 98.05 -91.23 98.76 32.05 49.58 18.37 23.48 4.63 3.39 15.48 3.53 0.03 47.87 1.58 86 R E E 110.54 9.52 18.57 28.58 122.68 -6.61 -113.95 136.12 28.67 56.91 14.42 22.37 2.84 2.32 11.87 2.47 0.01 57.20 0.93 87 F E E 85.37 15.01 14.68 29.37 124.83 -157.04 -117.31 138.12 30.23 58.00 11.77 24.68 2.33 1.59 9.85 1.78 0.00 58.95 0.81 88 L E E 70.54 10.49 17.94 29.27 123.39 -167.82 -119.41 135.02 29.98 59.75 10.27 24.32 2.36 1.52 8.80 1.41 0.00 60.88 0.71 89 T E E 65.23 12.30 16.07 28.77 121.50 -157.62 -110.85 132.56 23.34 69.00 7.66 19.86 1.49 0.90 7.05 1.02 0.00 68.83 0.86 90 V E E 51.19 12.29 15.98 29.20 123.42 -169.76 -118.86 135.85 22.88 69.86 7.26 19.36 1.65 0.96 6.95 1.07 0.00 68.77 1.23 91 S E E 59.54 7.51 17.93 26.42 113.31 -131.95 -87.06 126.29 34.51 57.54 7.95 28.66 2.85 1.56 6.94 1.47 0.00 57.29 1.24 92 L C C 60.69 14.42 12.41 26.83 103.23 -159.62 -85.37 -12.89 70.05 12.53 17.42 52.17 10.68 5.33 15.66 3.04 0.01 12.00 1.11 93 D C C 81.15 5.83 15.57 22.46 105.58 88.27 -79.71 90.02 71.95 2.78 25.27 53.96 9.31 7.08 23.57 3.58 0.00 1.87 0.62 94 K H H 134.60 3.65 15.41 20.20 94.74 -64.53 -66.26 -29.75 34.80 0.94 64.27 12.89 7.63 15.33 56.38 6.83 0.07 0.55 0.33 95 H H H 102.05 6.29 15.86 22.97 94.71 53.04 -73.67 -26.21 31.57 0.94 67.49 13.50 5.55 13.70 60.13 6.18 0.05 0.56 0.32 96 A H H 26.93 13.28 13.61 27.60 94.28 59.34 -68.23 -36.63 19.44 0.78 79.78 13.09 3.17 4.63 74.09 4.33 0.01 0.48 0.21 97 I H H 66.74 8.47 16.16 25.68 94.01 53.92 -67.53 -39.21 12.54 0.69 86.77 8.52 1.94 3.13 83.46 2.34 0.01 0.47 0.14 98 S H H 54.73 3.25 19.28 22.43 93.88 52.69 -65.03 -40.70 12.12 0.60 87.29 8.06 1.64 3.27 84.47 2.03 0.01 0.40 0.12 99 W H H 83.84 7.96 17.34 26.57 93.00 50.70 -65.49 -40.69 6.94 0.17 92.88 4.17 1.01 2.13 91.37 1.17 0.00 0.09 0.04 100 A H H 21.82 11.85 14.51 27.96 92.10 51.95 -64.05 -41.45 3.34 0.06 96.60 1.84 0.46 1.12 95.99 0.55 0.00 0.03 0.01 101 E H H 102.51 3.31 18.23 21.71 92.02 50.89 -64.27 -41.07 2.45 0.05 97.51 1.13 0.32 0.97 97.10 0.44 0.00 0.03 0.01 102 R H H 131.89 2.22 17.79 19.57 92.33 49.83 -65.27 -40.82 2.29 0.04 97.66 0.99 0.30 0.97 97.29 0.41 0.00 0.02 0.01 103 R H H 92.66 7.47 14.85 23.66 92.37 49.79 -65.20 -40.46 2.49 0.05 97.46 1.06 0.32 1.07 97.08 0.43 0.01 0.02 0.01 104 R H H 112.01 5.69 14.73 21.70 92.00 51.20 -64.62 -40.49 2.95 0.05 97.00 1.14 0.37 1.37 96.55 0.52 0.01 0.03 0.01 105 A H H 63.01 1.85 15.43 17.02 92.03 50.62 -65.02 -39.78 4.50 0.06 95.43 1.52 0.56 2.28 94.87 0.71 0.00 0.03 0.02 106 K H H 117.85 2.35 14.49 17.19 92.99 49.74 -67.16 -38.36 8.85 0.11 91.04 2.86 1.19 4.63 90.27 0.94 0.01 0.05 0.04 107 L H H 73.78 6.51 10.79 18.95 93.57 50.62 -69.07 -36.12 17.91 0.25 81.83 7.09 2.69 7.87 80.93 1.19 0.01 0.11 0.11 108 K H H 137.78 2.25 12.18 15.35 94.53 54.70 -71.16 -28.28 31.17 0.50 68.33 14.94 5.06 10.66 67.36 1.54 0.01 0.21 0.21 109 S H H 80.11 1.91 10.72 13.37 97.95 60.17 -79.73 -12.10 48.11 0.85 51.04 23.65 8.45 15.54 49.46 2.16 0.01 0.36 0.36 110 T C C 96.73 2.84 8.81 13.30 104.81 71.26 -84.66 35.36 63.27 1.49 35.24 35.38 10.88 15.94 33.95 2.54 0.01 0.65 0.64 111 K C C 150.11 2.10 8.74 12.46 109.34 116.36 -87.80 109.91 81.98 1.16 16.86 68.76 1.65 10.49 16.67 1.27 0.00 0.51 0.66 112 A C C 78.10 3.66 10.66 16.06 108.33 -107.23 -75.24 131.70 99.96 0.02 0.02 99.87 0.05 0.05 0.01 0.00 0.00 0.01 0.00