# 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 113.74 5.79 12.59 19.86 116.68 -166.82 -97.92 131.94 99.91 0.09 0.00 99.87 0.06 0.02 0.00 0.00 0.00 0.04 0.00 1 S C C 68.90 5.50 11.54 18.49 115.26 -153.62 -97.49 134.97 93.63 5.52 0.85 89.48 1.01 3.46 0.19 0.47 0.00 4.56 0.83 2 Y C C 127.78 7.52 11.54 20.33 113.05 -156.84 -97.78 128.98 81.85 17.04 1.11 58.53 16.37 6.59 0.17 1.16 0.00 15.98 1.19 3 R C C 109.55 8.83 15.13 24.84 117.19 -156.10 -105.27 135.26 66.19 33.06 0.75 49.71 12.71 2.77 0.12 0.72 0.00 33.12 0.84 4 Y E E 80.72 12.46 17.07 29.96 125.40 -154.34 -113.52 143.43 36.39 63.41 0.20 31.60 3.56 0.59 0.04 0.18 0.00 63.35 0.68 5 M E E 33.51 16.63 18.25 35.12 126.63 -163.64 -118.50 142.62 13.93 86.05 0.02 12.29 0.96 0.05 0.01 0.01 0.00 86.51 0.18 6 R E E 54.22 14.56 22.09 36.78 120.61 -150.73 -109.08 132.84 2.24 97.76 0.00 2.02 0.10 0.00 0.00 0.00 0.00 97.85 0.02 7 M E E 15.81 20.48 21.06 41.61 123.28 -166.54 -118.89 132.13 0.44 99.56 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.58 0.00 8 I E E 16.64 18.38 24.77 43.12 117.09 -157.72 -109.02 124.57 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 9 L E E 7.71 22.67 24.33 46.71 117.39 -162.94 -108.13 124.52 0.21 99.79 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 10 M E E 20.59 19.54 25.08 43.68 123.89 -170.17 -119.70 133.97 0.78 99.22 0.00 0.67 0.02 0.00 0.00 0.00 0.00 99.29 0.01 11 F E E 14.49 21.80 22.39 43.49 131.93 -171.41 -131.47 148.36 2.35 97.65 0.00 2.03 0.13 0.01 0.00 0.00 0.00 97.77 0.05 12 D E E 40.43 14.39 25.29 39.42 113.14 -138.09 -101.16 119.38 10.12 89.87 0.01 9.13 0.67 0.04 0.00 0.00 0.00 89.82 0.34 13 M C C 12.84 22.81 18.03 40.59 120.62 -168.33 -113.18 131.47 60.07 39.92 0.02 57.60 1.54 0.05 0.00 0.01 0.00 40.19 0.61 14 P C C 54.78 8.30 23.36 32.17 112.29 -119.57 -70.11 139.07 80.58 19.33 0.09 71.68 7.04 0.58 0.02 0.09 0.00 19.64 0.95 15 T C C 30.07 18.10 11.68 29.18 120.68 -161.61 -115.39 129.05 94.12 5.57 0.32 86.59 6.48 1.17 0.11 0.21 0.00 3.06 2.38 16 D C S 112.80 2.15 17.03 19.54 99.36 173.06 -97.93 -8.95 99.27 0.51 0.22 45.25 52.90 1.24 0.07 0.11 0.00 0.20 0.22 17 T C S 64.69 3.41 13.76 18.47 125.89 62.79 -107.86 158.28 98.34 0.69 0.98 18.34 79.29 0.71 0.85 0.11 0.00 0.12 0.58 18 A H H 78.01 2.63 12.81 16.79 92.25 -114.91 -59.83 -38.34 7.05 0.03 92.93 1.12 1.98 3.87 91.21 1.78 0.01 0.01 0.02 19 E H H 130.33 1.63 15.81 17.26 91.95 52.92 -64.24 -39.72 5.01 0.02 94.97 0.80 0.70 3.31 93.25 1.90 0.01 0.01 0.01 20 E H H 51.57 12.26 12.77 25.90 92.34 49.31 -66.38 -38.85 3.08 0.03 96.89 1.10 0.44 1.54 95.07 1.82 0.00 0.01 0.01 21 R H H 101.32 9.15 16.02 26.04 91.61 53.24 -62.88 -41.48 1.06 0.01 98.93 0.38 0.13 0.48 98.69 0.31 0.00 0.00 0.00 22 K H H 113.68 1.87 22.17 22.19 91.67 49.85 -64.19 -41.68 0.53 0.00 99.47 0.11 0.04 0.30 99.41 0.14 0.00 0.00 0.00 23 A H H 24.01 10.72 19.21 31.29 91.78 50.08 -64.17 -42.42 0.43 0.00 99.57 0.06 0.02 0.28 99.52 0.12 0.00 0.00 0.00 24 Y H H 22.55 20.36 16.78 36.94 91.49 51.11 -63.00 -42.56 0.44 0.00 99.56 0.05 0.02 0.29 99.55 0.09 0.00 0.00 0.00 25 R H H 119.37 4.71 23.43 28.26 91.43 51.27 -63.37 -41.65 0.29 0.00 99.71 0.03 0.01 0.19 99.72 0.04 0.00 0.00 0.00 26 K H H 99.42 4.21 23.68 27.73 91.49 50.03 -64.06 -41.77 0.19 0.00 99.81 0.02 0.01 0.13 99.82 0.02 0.00 0.00 0.00 27 F H H 7.72 23.22 18.70 41.86 91.50 49.53 -64.11 -43.72 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 28 R H H 66.12 17.30 20.34 36.42 91.26 52.09 -61.56 -42.47 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 29 K H H 119.07 2.08 24.85 25.32 91.59 50.48 -64.25 -41.56 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 30 F H H 43.86 10.96 20.63 32.69 91.80 49.56 -64.43 -42.96 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 31 L H H 2.89 25.80 14.08 40.37 91.34 49.69 -63.85 -42.48 0.23 0.00 99.77 0.02 0.01 0.16 99.74 0.07 0.00 0.00 0.00 32 L H H 76.21 10.93 18.06 29.15 91.85 50.58 -64.30 -39.76 0.67 0.00 99.33 0.04 0.02 0.54 98.86 0.54 0.00 0.00 0.00 33 S H H 86.27 1.62 20.34 21.31 90.53 55.98 -66.67 -25.24 7.32 0.00 92.68 0.10 0.15 7.61 91.40 0.74 0.01 0.00 0.00 34 E C T 68.30 12.39 15.92 28.95 94.00 50.47 -91.09 1.90 83.22 0.01 16.77 0.13 0.61 83.19 15.49 0.56 0.00 0.00 0.01 35 G C T 34.77 6.05 21.85 28.83 101.97 -96.94 97.88 7.69 99.84 0.01 0.15 0.43 0.84 98.65 0.06 0.02 0.00 0.00 0.00 36 F C C 19.29 23.28 11.28 34.03 120.29 136.35 -84.60 145.89 82.98 16.99 0.03 76.22 5.60 0.13 0.01 0.02 0.00 17.56 0.46 37 I E E 80.10 6.40 24.14 30.96 120.62 -149.57 -114.86 133.50 14.02 85.92 0.06 12.18 1.42 0.16 0.02 0.03 0.00 85.30 0.89 38 M E E 67.40 16.95 14.21 30.66 110.73 -124.30 -80.18 123.13 10.56 89.39 0.05 9.94 0.50 0.08 0.02 0.02 0.00 87.88 1.56 39 H E E 92.40 7.32 17.42 26.00 100.01 176.51 -92.54 -32.75 41.46 58.34 0.21 27.02 12.93 1.98 0.05 0.19 0.00 56.88 0.96 40 Q C S 77.46 5.94 18.24 25.09 135.74 -1.69 -147.77 161.05 60.24 39.39 0.36 14.32 37.85 8.58 0.06 0.38 0.00 36.96 1.85 41 F C T 136.90 5.84 18.48 25.05 97.03 -85.85 -62.45 -28.24 98.67 0.92 0.42 3.49 44.68 50.60 0.03 0.40 0.00 0.65 0.15 42 S C T 33.65 14.95 17.38 31.99 100.53 30.83 -104.30 2.88 97.12 2.65 0.23 3.92 41.39 51.86 0.01 0.25 0.00 2.43 0.14 43 V E E 16.61 19.52 17.74 37.74 124.98 84.05 -118.46 134.68 10.57 89.42 0.01 8.39 1.78 0.10 0.00 0.01 0.00 89.19 0.52 44 Y E E 23.89 17.33 23.29 40.76 131.77 -174.61 -129.21 149.88 1.26 98.74 0.00 1.15 0.05 0.00 0.00 0.00 0.00 98.76 0.04 45 S E E 11.76 21.57 22.30 43.22 132.28 -168.09 -133.07 144.46 0.44 99.56 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.01 46 K E E 30.15 17.66 24.79 41.85 136.93 171.86 -143.95 151.75 0.66 99.33 0.00 0.61 0.02 0.00 0.00 0.00 0.00 99.35 0.02 47 L E E 43.98 15.06 23.86 38.73 114.29 -119.65 -86.43 131.94 3.35 96.63 0.02 3.03 0.19 0.02 0.01 0.01 0.00 96.59 0.16 48 L E E 12.91 21.18 15.55 36.97 117.38 -155.54 -103.25 130.75 34.47 65.39 0.14 33.81 0.85 0.11 0.05 0.07 0.00 63.84 1.26 49 L C S 86.69 7.70 20.46 28.87 96.91 -162.86 -82.93 -25.26 92.90 6.89 0.21 32.84 58.50 1.73 0.05 0.14 0.00 6.41 0.34 50 N C S 70.70 5.77 18.47 25.14 126.57 41.14 -127.29 140.33 96.62 1.72 1.66 33.55 59.84 3.43 1.11 0.47 0.00 0.86 0.72 51 H H H 120.99 7.90 13.88 23.21 93.02 -137.18 -63.31 -32.65 21.54 0.15 78.31 3.36 6.43 12.02 76.04 1.94 0.05 0.05 0.11 52 T H H 97.29 1.25 19.79 19.11 92.42 55.03 -65.95 -39.98 17.75 0.09 82.16 2.34 3.10 12.24 80.37 1.79 0.06 0.03 0.07 53 A H H 26.93 10.44 16.52 28.46 92.72 49.69 -66.32 -40.30 7.19 0.07 92.73 2.39 1.18 3.76 91.12 1.48 0.02 0.03 0.04 54 N H H 19.59 20.25 14.02 33.88 91.51 52.98 -62.33 -43.45 1.18 0.00 98.81 0.40 0.14 0.49 98.78 0.19 0.00 0.00 0.00 55 T H H 82.09 3.75 22.45 26.38 91.70 49.77 -64.14 -41.16 0.35 0.00 99.65 0.09 0.03 0.16 99.66 0.06 0.00 0.00 0.00 56 A H H 54.04 3.22 23.15 25.71 91.52 50.14 -64.05 -42.20 0.14 0.00 99.86 0.02 0.01 0.07 99.87 0.03 0.00 0.00 0.00 57 M H H 11.60 20.42 18.29 38.76 91.81 49.10 -64.15 -43.39 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 58 V H H 24.26 18.31 19.24 37.12 91.34 50.47 -62.30 -42.87 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 59 G H H 37.57 2.42 23.82 24.84 91.18 50.73 -62.78 -42.56 0.21 0.00 99.79 0.01 0.01 0.15 99.81 0.02 0.00 0.00 0.00 60 R H H 100.60 7.14 21.86 29.35 91.87 48.82 -65.08 -41.08 0.45 0.00 99.55 0.02 0.02 0.35 99.55 0.06 0.00 0.00 0.00 61 L H H 3.45 25.76 13.82 39.92 91.26 50.33 -63.78 -42.81 0.47 0.00 99.53 0.04 0.03 0.33 99.38 0.22 0.00 0.00 0.00 62 K H H 106.82 10.25 18.75 29.34 91.16 52.95 -63.25 -38.08 1.61 0.00 98.39 0.11 0.08 1.30 97.44 1.07 0.00 0.00 0.00 63 A H H 86.17 1.23 21.37 20.83 91.27 53.46 -69.35 -26.74 11.29 0.01 88.70 0.24 0.36 11.17 87.06 1.16 0.01 0.00 0.01 64 N H H 56.97 12.47 15.74 28.75 98.30 48.14 -96.92 -0.13 30.90 0.09 69.02 1.43 2.88 26.17 68.16 1.23 0.04 0.02 0.07 65 N C S 53.38 17.53 13.34 30.01 112.84 119.95 -75.27 125.67 99.38 0.49 0.13 38.54 60.57 0.34 0.09 0.03 0.00 0.13 0.30 66 P C C 32.19 14.79 12.69 28.26 115.81 -116.75 -66.40 152.58 99.21 0.38 0.42 96.85 1.21 1.28 0.08 0.23 0.00 0.15 0.20 67 K C T 167.41 1.36 17.21 18.48 93.69 -120.76 -68.78 -27.62 97.50 0.65 1.85 10.03 38.80 48.48 0.15 1.89 0.00 0.37 0.28 68 K C T 134.78 2.35 18.56 21.19 129.69 27.51 -131.38 152.05 94.42 3.56 2.01 4.46 38.80 51.46 0.10 2.05 0.00 2.63 0.50 69 G C S 27.83 7.68 18.35 26.93 132.31 36.95 113.53 -169.25 83.68 15.75 0.57 20.48 59.35 3.64 0.04 0.58 0.00 14.92 0.98 70 N E E 65.45 9.00 22.02 31.34 121.08 -57.19 -104.60 137.59 26.24 73.67 0.09 23.19 2.38 0.24 0.02 0.07 0.00 73.42 0.68 71 I E E 15.31 23.37 15.13 38.75 122.16 -158.45 -117.43 131.43 2.51 97.49 0.00 2.42 0.07 0.00 0.00 0.00 0.00 97.42 0.07 72 T E E 35.37 12.00 25.42 37.84 122.71 -167.86 -116.40 134.32 0.52 99.48 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.47 0.01 73 I E E 33.23 19.85 19.89 39.05 120.24 -160.54 -113.19 127.72 0.37 99.63 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.60 0.01 74 L E E 26.10 16.68 21.12 37.93 124.79 -171.37 -118.87 135.69 1.18 98.81 0.00 1.17 0.04 0.00 0.00 0.00 0.00 98.76 0.03 75 T E E 53.20 11.24 23.92 35.28 116.13 -144.08 -98.37 126.18 6.84 93.16 0.01 6.31 0.41 0.02 0.00 0.00 0.00 93.08 0.19 76 V E E 13.70 21.85 13.71 35.73 120.57 -160.02 -107.82 133.39 46.81 53.10 0.09 43.52 2.17 0.12 0.03 0.05 0.00 53.47 0.64 77 T C C 49.64 5.63 20.49 26.66 126.43 -147.36 -94.23 168.40 83.12 16.44 0.44 78.43 4.69 0.25 0.34 0.13 0.00 14.58 1.58 78 E H H 117.48 5.70 14.86 22.16 90.88 -99.43 -58.93 -37.21 6.04 0.06 93.90 0.93 1.01 3.84 87.28 6.86 0.02 0.04 0.02 79 K H H 134.71 1.53 17.85 18.52 91.83 53.79 -64.67 -39.38 3.42 0.03 96.55 0.40 0.33 2.43 88.98 7.82 0.01 0.02 0.01 80 Q H H 36.11 14.38 13.18 28.12 92.42 49.75 -67.22 -38.06 1.98 0.02 98.00 0.26 0.17 1.38 90.31 7.86 0.00 0.01 0.00 81 F H H 57.33 16.14 12.14 27.94 91.96 55.51 -64.59 -35.85 3.71 0.04 96.25 0.49 0.33 2.66 89.47 7.00 0.01 0.03 0.01 82 A H H 78.37 2.21 17.30 19.65 91.08 59.78 -68.48 -22.37 39.77 0.17 60.07 1.19 1.34 36.98 55.92 4.33 0.06 0.09 0.09 83 R C T 144.71 3.61 16.48 20.89 96.98 54.83 -91.50 -1.88 62.96 0.46 36.58 2.70 2.48 55.93 34.04 4.36 0.04 0.27 0.18 84 M C C 47.71 18.99 8.70 26.38 116.01 106.62 -79.52 136.43 67.66 20.79 11.55 56.18 7.27 2.98 10.63 1.94 0.02 19.02 1.95 85 I E E 96.81 5.11 17.66 23.81 116.74 -159.87 -105.52 126.85 36.16 51.73 12.11 30.73 2.32 1.81 11.49 1.67 0.01 49.38 2.59 86 Y E E 112.95 11.08 12.66 24.30 115.20 -147.64 -100.50 122.70 26.59 62.53 10.88 21.36 2.24 1.94 10.12 1.81 0.01 60.43 2.09 87 L E E 87.26 7.64 14.24 22.99 103.50 -169.59 -98.55 -24.34 36.73 52.57 10.70 21.72 8.28 7.32 8.62 2.67 0.06 49.66 1.67 88 Y C E 131.88 5.06 14.41 20.85 128.41 7.48 -134.82 140.29 47.34 44.64 8.01 21.66 14.45 13.17 5.87 2.56 0.11 39.91 2.26 89 G C S 40.51 5.21 13.25 20.08 126.43 39.44 113.42 -173.50 79.88 17.31 2.81 32.78 33.80 13.67 1.29 1.52 0.00 15.55 1.39 90 D C C 114.19 2.55 13.62 17.24 110.19 -69.77 -94.37 79.86 88.03 8.48 3.49 48.73 28.76 10.87 1.42 2.18 0.00 6.63 1.41 91 K C C 121.77 6.51 10.53 18.55 114.70 106.21 -97.67 132.18 87.36 6.54 6.09 48.63 25.89 13.21 2.28 3.88 0.00 4.44 1.67 92 N C C 109.02 4.24 12.46 18.35 111.09 -159.19 -96.99 105.70 88.19 4.60 7.21 56.81 19.23 12.19 2.68 4.71 0.00 3.11 1.27 93 T C C 76.60 7.77 10.84 19.76 114.33 168.92 -101.65 129.21 82.27 5.83 11.90 50.95 20.19 11.45 4.73 7.19 0.01 4.04 1.45 94 S C C 76.51 4.03 13.76 19.02 105.69 -147.00 -87.74 40.69 76.35 10.79 12.86 51.24 15.59 9.79 5.67 7.25 0.01 8.39 2.06 95 I C C 81.84 9.45 11.28 21.51 104.25 73.03 -87.63 7.40 67.95 18.46 13.59 48.90 10.99 7.49 7.89 6.23 0.04 14.15 4.32 96 A C C 56.40 8.53 12.13 21.63 103.35 73.38 -82.11 11.32 75.43 13.40 11.17 50.38 13.96 10.88 6.52 4.96 0.02 10.56 2.72 97 N C C 108.79 4.05 13.61 18.92 104.52 52.64 -93.34 43.20 83.13 8.35 8.52 52.48 18.84 12.07 4.37 4.23 0.01 6.13 1.89 98 S C C 51.50 8.17 10.27 19.81 119.32 125.16 -103.82 146.86 76.46 5.10 18.44 42.96 21.64 12.18 11.00 7.49 0.02 3.09 1.64 99 E C C 140.24 3.38 12.83 17.41 97.82 -139.41 -77.75 -12.69 62.64 3.67 33.70 22.72 19.68 20.97 20.57 12.43 0.11 2.41 1.12 100 E C C 116.12 5.06 12.70 19.21 113.44 78.52 -89.80 122.42 55.11 10.93 33.96 26.04 13.33 16.10 21.24 12.40 0.18 9.02 1.69 101 R C C 119.17 8.80 12.18 21.85 112.41 -150.20 -94.58 110.83 44.82 26.09 29.08 28.15 9.06 8.05 20.18 8.56 0.12 23.95 1.93 102 L E E 83.31 9.41 12.17 22.58 117.43 29.71 -105.50 129.47 28.45 51.80 19.74 20.56 3.96 3.41 16.86 3.64 0.03 49.93 1.61 103 V E E 78.81 7.24 13.96 22.81 119.55 -165.30 -111.50 128.88 20.21 65.35 14.44 15.26 2.04 1.89 13.89 2.01 0.01 63.61 1.29 104 F E E 113.03 7.50 13.24 22.24 114.86 -154.28 -100.32 123.17 22.99 64.38 12.63 17.38 2.36 2.30 12.26 2.06 0.01 61.93 1.70 105 L C E 94.78 7.23 12.01 20.64 112.18 -169.02 -97.33 120.62 46.08 41.76 12.16 27.95 8.11 9.65 9.58 3.11 0.07 39.63 1.91 106 G C C 45.62 4.78 12.77 18.94 112.40 12.48 98.07 -4.41 76.35 15.65 8.01 34.39 22.71 20.29 3.99 3.49 0.04 13.47 1.62 107 D C C 99.52 4.24 12.07 17.86 108.60 -58.84 -88.78 91.87 78.92 7.92 13.15 31.77 24.05 24.48 4.83 7.36 0.03 5.98 1.50 108 N C C 110.45 3.83 12.93 18.10 105.35 -87.19 -85.90 71.68 79.16 7.87 12.97 43.15 14.59 22.03 4.37 8.21 0.01 6.17 1.47 109 Y C C 109.84 9.51 9.20 19.59 111.78 165.40 -91.65 122.43 70.37 10.16 19.47 48.66 10.33 11.47 6.96 12.60 0.01 7.50 2.46 110 C C C 81.48 4.92 10.51 17.11 113.67 -155.75 -96.50 128.32 72.58 8.01 19.40 44.81 12.98 15.26 6.78 12.38 0.01 5.93 1.86 111 D C C 103.99 3.79 9.32 14.94 109.10 -152.31 -89.32 108.72 74.66 6.92 18.41 44.29 14.30 16.67 5.73 12.29 0.02 4.94 1.77 112 E C C 135.63 2.95 8.39 13.14 110.49 -156.62 -89.00 118.33 87.46 3.59 8.96 77.05 2.12 9.45 3.88 3.82 0.00 2.49 1.19 113 D C C 111.43 2.55 10.46 14.66 108.56 -132.03 -86.37 111.36 99.92 0.05 0.03 99.80 0.09 0.07 0.01 0.00 0.00 0.03 0.01