# 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 129.29 3.20 11.52 16.36 115.58 -160.82 -100.89 131.96 99.91 0.08 0.01 99.86 0.06 0.02 0.00 0.00 0.00 0.04 0.01 1 I C C 114.36 4.46 7.88 14.26 115.38 -148.58 -95.44 127.87 89.83 3.95 6.22 87.30 0.90 2.69 4.08 1.22 0.00 2.30 1.50 2 S C C 78.11 2.93 8.84 13.63 115.18 -158.89 -95.60 142.67 86.13 4.48 9.39 69.71 9.57 6.66 6.40 3.17 0.00 2.93 1.55 3 K C C 158.84 1.64 10.00 12.76 108.96 -131.34 -88.35 113.44 79.96 4.00 16.05 59.59 13.11 6.70 12.50 4.29 0.00 2.43 1.38 4 I C C 95.00 6.48 8.13 16.11 115.16 -153.72 -91.49 135.94 79.47 2.47 18.06 61.54 11.82 5.16 16.18 3.04 0.00 1.26 0.99 5 D C C 85.49 3.35 11.87 16.47 109.81 -123.68 -81.40 127.34 83.50 0.85 15.66 74.34 4.66 3.52 15.19 1.55 0.00 0.37 0.38 6 K H H 131.54 4.22 10.92 16.90 94.66 -140.91 -65.32 -33.27 23.78 0.28 75.94 11.84 4.48 7.88 73.56 1.99 0.01 0.11 0.13 7 N H H 101.96 2.55 13.22 16.45 93.63 55.82 -67.30 -36.44 17.49 0.26 82.25 7.19 3.15 7.44 80.25 1.74 0.01 0.12 0.12 8 K H H 114.26 2.25 14.67 17.11 93.57 51.37 -67.36 -40.38 7.79 0.23 91.97 4.28 1.34 2.67 90.11 1.37 0.01 0.13 0.09 9 V H H 55.82 5.42 13.33 20.68 92.38 50.53 -64.84 -42.42 4.01 0.12 95.87 2.29 0.59 1.25 95.16 0.61 0.00 0.06 0.04 10 R H H 101.56 7.03 14.78 22.93 92.21 50.43 -64.32 -41.48 2.43 0.13 97.44 1.24 0.29 0.86 97.08 0.40 0.00 0.09 0.03 11 L H H 90.57 3.25 16.77 20.52 92.07 50.24 -64.78 -41.33 1.64 0.10 98.26 0.73 0.18 0.64 98.06 0.29 0.00 0.07 0.02 12 K H H 117.05 2.24 18.33 20.09 92.10 49.75 -65.29 -41.39 1.59 0.04 98.37 0.59 0.17 0.70 98.25 0.25 0.00 0.03 0.01 13 R H H 98.94 7.35 17.03 25.26 92.14 49.57 -64.95 -41.37 1.76 0.03 98.21 0.54 0.17 0.88 98.14 0.25 0.00 0.01 0.01 14 H H H 70.34 10.34 15.94 27.15 92.05 50.51 -64.28 -40.81 2.23 0.02 97.75 0.62 0.22 1.17 97.68 0.30 0.00 0.01 0.01 15 A H H 55.94 3.25 18.63 22.04 91.82 51.22 -64.13 -40.56 2.98 0.03 96.99 0.84 0.30 1.59 96.80 0.45 0.00 0.01 0.01 16 R H H 126.41 2.80 19.48 21.96 92.11 50.30 -65.82 -40.74 4.05 0.05 95.91 1.16 0.45 2.24 95.37 0.73 0.01 0.02 0.02 17 V H H 36.09 12.88 15.44 29.11 92.49 49.53 -65.23 -41.88 4.75 0.07 95.18 1.53 0.59 2.50 94.31 1.01 0.01 0.03 0.02 18 R H H 104.41 11.21 16.49 27.93 92.12 52.09 -63.76 -40.02 6.49 0.09 93.41 2.19 0.80 3.46 91.29 2.18 0.01 0.05 0.03 19 T H H 94.02 2.01 19.11 20.64 92.74 51.35 -66.65 -36.84 11.76 0.11 88.13 2.25 1.26 8.04 82.60 5.71 0.04 0.05 0.05 20 N H H 97.96 4.40 18.29 23.23 93.99 50.55 -73.17 -28.36 21.42 0.15 78.43 2.80 2.17 16.17 72.74 5.91 0.06 0.07 0.09 21 L H H 33.53 18.70 12.17 29.98 98.41 51.94 -88.76 -8.82 40.63 0.68 58.70 9.50 5.65 26.46 52.02 5.53 0.12 0.29 0.43 22 S C T 66.32 7.37 15.83 24.57 110.23 113.29 -76.56 126.56 79.82 1.12 19.05 19.15 8.24 51.48 16.85 3.05 0.01 0.48 0.73 23 G C T 51.44 4.36 16.46 21.80 99.27 25.51 83.98 -2.28 95.51 0.60 3.90 19.93 18.54 57.51 1.63 1.80 0.00 0.30 0.28 24 T C C 60.43 7.01 14.59 23.11 121.76 107.19 -104.19 147.00 95.47 2.79 1.74 71.35 20.36 2.89 0.84 0.85 0.00 0.83 2.89 25 A C T 70.33 8.33 13.53 22.95 93.75 -137.48 -67.06 -22.22 97.85 0.71 1.44 6.33 43.45 48.28 0.17 1.12 0.00 0.36 0.30 26 E C T 130.71 3.41 18.96 22.88 95.57 61.10 -82.39 -14.33 97.65 1.32 1.04 7.85 41.01 48.87 0.09 1.01 0.00 0.87 0.31 27 K C S 75.72 12.25 18.43 30.80 113.52 49.98 -114.50 102.54 95.65 4.24 0.11 38.29 57.82 0.48 0.02 0.08 0.00 2.48 0.84 28 P C C 13.15 21.19 17.33 38.71 116.51 -129.93 -69.17 148.44 92.29 7.67 0.03 90.92 1.60 0.13 0.00 0.02 0.00 7.01 0.32 29 R E E 63.56 14.34 26.17 40.15 123.63 -148.97 -111.54 138.50 12.18 87.81 0.02 11.39 0.65 0.03 0.00 0.01 0.00 86.61 1.31 30 L E E 5.45 26.06 20.08 46.37 122.46 -158.70 -115.46 132.78 2.00 98.00 0.00 1.88 0.07 0.00 0.00 0.00 0.00 98.01 0.04 31 N E E 32.53 13.56 27.55 41.43 122.84 -168.09 -119.63 133.52 0.52 99.48 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.48 0.00 32 V E E 11.93 24.20 19.64 43.54 120.58 -164.81 -116.55 127.68 0.28 99.72 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.00 33 Y E E 70.09 11.15 25.84 37.16 127.90 -174.44 -126.92 139.69 0.24 99.76 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 34 R E E 86.25 16.50 17.90 33.47 120.11 -154.43 -110.96 129.36 3.50 96.49 0.00 3.11 0.18 0.02 0.00 0.00 0.00 96.59 0.10 35 S C C 32.79 8.91 18.09 28.09 130.77 169.90 -123.37 -174.64 77.57 22.40 0.03 75.53 1.16 0.09 0.00 0.01 0.00 22.87 0.33 36 N C S 111.83 4.73 16.97 22.84 92.20 -89.71 -64.92 -27.01 99.70 0.19 0.10 1.68 75.37 22.72 0.01 0.08 0.00 0.12 0.03 37 K C S 119.95 5.41 17.23 23.34 104.16 25.46 -109.33 -17.26 99.62 0.28 0.10 1.18 77.42 21.09 0.00 0.08 0.00 0.19 0.03 38 H E E 58.73 10.42 20.31 31.44 142.18 16.59 -153.73 158.17 30.36 69.62 0.02 23.98 5.11 0.14 0.00 0.02 0.00 70.44 0.31 39 I E E 7.29 23.90 17.14 41.77 119.27 -135.00 -112.26 129.54 0.71 99.29 0.00 0.67 0.01 0.00 0.00 0.00 0.00 99.30 0.01 40 Y E E 41.17 13.30 27.08 40.91 123.72 -168.26 -119.05 137.20 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 41 A E E 1.94 26.30 20.52 47.38 127.19 -169.63 -124.60 139.47 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 42 Q E E 28.33 16.11 28.28 44.26 126.72 -169.58 -124.48 137.45 0.10 99.90 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 43 I E E 6.27 23.75 23.52 47.19 117.46 -152.26 -106.29 126.19 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 44 I E E 16.78 17.23 22.00 39.82 124.00 -168.72 -119.66 135.37 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.81 0.01 45 D E E 29.52 11.15 20.06 33.03 107.70 -129.78 -85.19 115.65 8.52 91.48 0.01 8.10 0.19 0.02 0.00 0.00 0.00 91.48 0.20 46 D C T 52.13 15.18 14.57 30.23 93.33 -160.68 -70.61 -23.79 98.96 0.15 0.89 0.28 2.29 96.67 0.03 0.60 0.00 0.10 0.03 47 N C T 113.57 2.44 16.47 19.57 96.47 51.09 -75.36 -38.30 98.94 0.08 0.98 0.19 2.01 96.98 0.02 0.73 0.00 0.04 0.02 48 K C T 135.08 1.98 15.81 17.46 98.62 24.06 -101.59 -9.07 99.17 0.05 0.78 0.36 1.84 97.15 0.03 0.59 0.00 0.02 0.01 49 G C T 40.50 8.02 12.96 22.56 95.37 -124.27 71.94 16.07 99.31 0.35 0.34 43.64 5.06 50.66 0.07 0.21 0.00 0.29 0.06 50 V E E 66.36 6.91 18.45 26.73 118.04 145.33 -94.10 135.94 47.31 52.64 0.06 42.96 3.59 0.17 0.02 0.05 0.00 48.53 4.69 51 T E E 51.41 15.76 17.22 32.66 111.21 -125.41 -80.26 123.66 0.58 99.42 0.00 0.56 0.02 0.00 0.00 0.00 0.00 99.29 0.14 52 L E E 34.39 16.35 21.05 37.36 99.93 176.96 -94.24 -30.61 1.54 98.46 0.00 0.72 0.70 0.01 0.00 0.00 0.00 98.57 0.01 53 A E E 7.78 20.36 21.53 41.98 143.23 -0.03 -158.25 152.59 0.40 99.60 0.00 0.28 0.04 0.00 0.00 0.00 0.00 99.67 0.00 54 Q E E 63.52 17.67 23.73 39.86 135.99 -173.23 -144.26 145.86 0.60 99.40 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.46 0.01 55 A E E 9.24 22.31 21.35 42.89 135.23 -173.43 -139.76 149.10 0.61 99.39 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.38 0.02 56 S E E 28.27 14.56 24.54 38.81 137.74 -175.29 -142.03 155.86 7.08 92.91 0.01 6.49 0.39 0.03 0.00 0.01 0.00 92.68 0.39 57 S C C 19.42 20.56 16.47 36.15 103.72 -129.72 -87.24 14.22 69.45 29.41 1.14 39.28 22.81 7.97 0.17 1.09 0.00 27.60 1.08 58 K C S 119.38 6.76 21.28 28.27 99.07 114.78 -88.68 -0.23 92.61 5.38 2.01 36.03 41.98 15.02 0.35 1.80 0.00 3.52 1.31 59 D C C 54.27 12.37 13.34 26.34 109.92 110.77 -79.56 123.77 90.74 2.68 6.57 51.50 31.68 7.55 2.46 3.81 0.00 1.06 1.94 60 S C T 86.61 2.73 15.74 19.89 93.42 -148.21 -66.88 -25.27 58.23 0.42 41.35 7.18 9.87 40.38 10.52 31.52 0.01 0.20 0.31 61 D C T 93.25 4.75 17.70 23.40 92.89 62.55 -74.49 -17.68 56.48 0.53 42.99 7.78 8.14 39.65 11.79 32.00 0.02 0.27 0.36 62 I C G 15.75 22.12 10.39 31.42 100.08 62.47 -85.18 -7.75 53.40 2.15 44.46 24.03 13.52 17.39 14.49 28.32 0.03 1.03 1.20 63 A C C 60.32 7.70 18.22 26.56 104.89 90.20 -77.31 95.97 78.06 1.63 20.31 55.75 10.46 11.98 12.02 7.91 0.00 0.73 1.16 64 T C C 71.37 9.15 13.87 23.73 106.30 105.93 -85.92 12.99 89.72 0.96 9.33 69.95 11.58 8.19 6.01 3.19 0.00 0.43 0.64 65 T C C 97.41 3.38 16.81 20.73 101.77 40.67 -88.99 -5.48 91.60 0.85 7.55 76.31 7.74 7.64 4.84 2.52 0.00 0.40 0.54 66 A C C 50.27 10.05 12.92 23.84 113.98 81.82 -90.66 144.79 90.57 1.13 8.30 65.38 13.39 11.70 5.46 2.83 0.00 0.49 0.73 67 T C C 80.76 7.81 16.54 24.87 107.91 -107.83 -93.63 65.81 89.35 1.34 9.31 61.03 16.26 11.80 6.73 2.81 0.00 0.57 0.81 68 K C C 95.07 9.12 18.84 28.24 113.01 120.19 -93.22 115.49 70.82 2.45 26.73 44.64 21.79 4.40 25.21 1.77 0.01 0.68 1.49 69 V H H 50.48 16.66 16.12 31.89 94.16 -124.17 -63.57 -38.04 10.19 0.14 89.67 5.05 2.07 3.21 88.61 0.94 0.00 0.05 0.05 70 E H H 110.65 3.63 24.72 28.29 92.18 52.78 -64.83 -40.31 4.73 0.09 95.18 2.27 0.58 1.85 94.31 0.91 0.00 0.05 0.03 71 L H H 26.22 14.24 21.45 36.17 91.75 50.70 -64.64 -41.69 1.54 0.03 98.43 0.70 0.17 0.62 97.86 0.62 0.00 0.02 0.00 72 A H H 2.11 25.84 19.19 45.19 91.41 51.67 -63.89 -41.74 1.04 0.01 98.95 0.36 0.10 0.48 98.67 0.37 0.00 0.01 0.00 73 T H H 43.98 14.01 26.04 39.40 91.64 50.81 -63.95 -41.79 1.55 0.01 98.43 0.27 0.14 0.95 98.37 0.25 0.00 0.01 0.00 74 K H H 93.83 5.79 29.73 36.68 91.31 50.13 -64.25 -41.96 1.27 0.01 98.72 0.22 0.10 0.77 98.78 0.13 0.00 0.00 0.00 75 V H H 3.14 24.50 25.09 49.08 91.48 49.65 -63.99 -44.12 0.29 0.00 99.71 0.06 0.02 0.13 99.76 0.03 0.00 0.00 0.00 76 G H H 0.93 26.62 23.76 50.28 91.27 51.26 -62.94 -43.37 0.15 0.00 99.85 0.02 0.00 0.08 99.87 0.02 0.00 0.00 0.00 77 E H H 78.67 9.41 29.12 39.53 91.42 50.08 -64.01 -41.65 0.10 0.00 99.90 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 78 A H H 23.70 10.21 28.12 39.89 91.46 49.80 -63.77 -43.01 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 79 I H H 1.51 26.70 24.75 51.30 91.72 49.09 -64.62 -44.00 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 80 A H H 4.24 23.67 22.76 45.88 91.02 51.47 -62.69 -43.34 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 81 K H H 108.21 3.86 28.51 32.71 91.27 50.04 -63.41 -41.85 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 82 K H H 56.92 10.49 24.74 35.63 91.65 49.00 -64.55 -41.40 0.09 0.00 99.91 0.01 0.00 0.07 99.91 0.02 0.00 0.00 0.00 83 A H H 1.45 25.73 15.18 41.73 91.03 50.68 -63.48 -42.97 0.30 0.00 99.70 0.02 0.01 0.22 99.65 0.10 0.00 0.00 0.00 84 A H H 47.28 12.40 18.59 30.89 91.26 51.12 -62.82 -40.77 0.87 0.00 99.13 0.03 0.03 0.76 98.71 0.47 0.00 0.00 0.00 85 D H H 117.98 1.16 20.53 20.38 90.08 54.04 -65.69 -26.61 7.24 0.00 92.76 0.08 0.13 7.49 91.79 0.51 0.00 0.00 0.00 86 K C T 97.63 9.15 15.45 25.64 93.27 53.37 -88.87 2.55 81.63 0.01 18.35 0.18 0.63 81.20 17.42 0.56 0.00 0.00 0.01 87 G C T 47.96 2.93 22.20 24.93 97.74 -100.71 89.98 10.32 99.92 0.00 0.07 0.49 0.52 98.96 0.02 0.01 0.00 0.00 0.00 88 I C C 12.88 23.69 10.10 33.47 112.24 147.46 -83.39 124.03 91.54 8.41 0.05 92.19 0.35 0.04 0.01 0.02 0.00 6.92 0.47 89 K C C 124.25 4.75 23.62 29.42 100.98 175.37 -103.98 -16.80 84.67 15.27 0.06 70.60 12.25 0.32 0.01 0.06 0.00 16.49 0.27 90 E E E 69.04 10.90 25.39 36.92 131.47 38.45 -136.12 143.21 13.51 86.39 0.10 11.18 1.91 0.20 0.01 0.06 0.00 86.41 0.22 91 I E E 3.56 26.73 19.15 46.61 124.08 -166.57 -123.50 132.06 2.23 97.75 0.02 2.16 0.08 0.01 0.01 0.01 0.00 97.65 0.08 92 V E E 20.14 17.28 28.15 45.16 118.91 -162.86 -112.66 126.92 1.39 98.60 0.01 1.35 0.04 0.00 0.00 0.00 0.00 98.50 0.09 93 F E E 8.86 24.70 22.15 46.45 122.03 -166.96 -112.45 133.22 6.69 93.29 0.02 6.51 0.19 0.02 0.01 0.01 0.00 93.07 0.20 94 D E E 39.18 15.43 24.93 39.69 110.71 -147.07 -98.69 112.90 43.27 56.61 0.12 37.64 3.72 0.39 0.02 0.10 0.00 57.57 0.57 95 R C C 52.67 18.31 17.79 35.23 103.26 171.53 -100.44 16.58 81.36 17.71 0.93 69.37 8.39 2.86 0.20 0.81 0.00 16.36 2.00 96 G C C 37.04 9.80 17.99 28.05 103.21 -158.39 53.44 2.74 88.51 8.26 3.23 47.55 23.22 18.15 0.52 3.04 0.00 5.48 2.04 97 G C S 45.55 6.74 16.97 24.29 102.64 -9.08 81.99 -0.93 89.24 3.03 7.74 18.42 42.43 28.68 0.98 6.55 0.01 1.62 1.31 98 Y C S 135.05 7.24 15.16 23.46 105.41 93.66 -86.60 60.31 83.25 4.20 12.55 27.92 34.72 21.10 2.11 10.01 0.01 2.03 2.11 99 L C C 89.25 8.09 16.69 25.48 113.21 67.20 -91.17 126.14 82.73 4.85 12.42 39.17 25.30 18.76 2.71 9.43 0.01 2.43 2.19 100 Y C C 89.65 15.70 12.91 27.89 112.06 -126.64 -93.37 118.04 85.41 4.04 10.55 61.23 12.91 10.95 3.78 6.82 0.00 2.08 2.22 101 H C C 94.71 7.36 17.20 25.83 128.14 165.71 -129.88 154.48 86.77 1.57 11.66 67.28 14.32 4.19 11.03 1.61 0.00 0.57 1.00 102 G H H 41.28 4.60 20.58 25.67 109.64 -19.78 62.98 -124.82 26.06 0.20 73.75 6.75 11.06 8.97 71.68 1.34 0.03 0.06 0.12 103 R H H 82.51 15.07 20.10 34.29 93.03 15.79 -67.26 -34.99 5.80 0.05 94.16 1.58 0.97 3.15 93.38 0.87 0.01 0.02 0.02 104 V H H 4.29 25.66 17.87 43.48 91.62 53.94 -63.84 -41.96 1.88 0.03 98.08 0.70 0.25 0.89 97.60 0.55 0.00 0.02 0.01 105 K H H 92.94 9.72 25.06 34.85 91.31 51.78 -62.61 -41.56 0.59 0.01 99.40 0.21 0.06 0.26 99.25 0.22 0.00 0.00 0.00 106 A H H 30.85 7.67 25.14 33.82 91.52 51.02 -63.88 -42.31 0.25 0.00 99.75 0.06 0.02 0.12 99.70 0.10 0.00 0.00 0.00 107 L H H 7.42 23.37 21.54 44.56 92.15 49.56 -64.65 -43.14 0.19 0.00 99.81 0.03 0.01 0.12 99.75 0.09 0.00 0.00 0.00 108 A H H 8.61 20.79 20.48 40.98 91.45 50.75 -62.57 -43.03 0.28 0.00 99.72 0.03 0.02 0.18 99.63 0.14 0.00 0.00 0.00 109 E H H 111.80 3.38 25.51 28.86 91.49 50.42 -64.41 -40.49 1.21 0.00 98.78 0.09 0.06 0.96 98.40 0.48 0.00 0.00 0.00 110 A H H 34.86 11.66 19.49 31.77 91.63 52.27 -66.32 -32.72 7.16 0.00 92.83 0.28 0.26 6.36 92.45 0.65 0.00 0.00 0.00 111 A H H 12.50 21.85 14.45 35.73 93.72 53.51 -77.79 -17.14 34.21 0.10 65.68 7.54 0.94 23.29 67.21 0.90 0.00 0.03 0.09 112 R C C 129.67 10.20 20.52 30.64 103.56 97.85 -73.23 67.84 99.80 0.06 0.14 99.17 0.25 0.37 0.15 0.01 0.00 0.02 0.02