# 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 I C C 28.71 19.80 16.28 35.74 119.46 -161.69 -109.18 128.87 97.68 2.32 0.00 97.85 0.07 0.00 0.00 0.00 0.00 2.05 0.02 1 R E E 112.31 7.51 21.24 29.55 118.28 -157.40 -108.77 126.66 20.93 79.05 0.02 21.33 0.16 0.02 0.00 0.01 0.00 77.95 0.53 2 I E E 18.40 21.42 14.73 36.17 119.74 -166.17 -112.16 128.82 4.92 95.08 0.01 4.96 0.09 0.00 0.00 0.00 0.00 94.86 0.08 3 T E E 52.76 8.51 24.50 33.59 119.17 -161.81 -110.43 127.72 1.88 98.12 0.00 1.86 0.04 0.00 0.00 0.00 0.00 98.05 0.04 4 L E E 8.55 24.32 16.36 40.95 123.58 -169.92 -117.34 135.06 2.39 97.60 0.01 2.43 0.04 0.00 0.00 0.00 0.00 97.45 0.07 5 T E E 52.35 9.20 25.56 35.17 126.98 -168.77 -122.51 141.46 6.48 93.50 0.02 6.20 0.22 0.02 0.01 0.01 0.00 93.31 0.23 6 S E E 11.92 20.03 14.40 34.50 138.18 161.59 -148.06 158.99 29.81 70.13 0.06 28.98 0.94 0.08 0.02 0.03 0.00 68.50 1.45 7 R C S 147.08 5.13 20.37 26.38 94.41 -138.39 -83.99 -15.09 99.26 0.70 0.04 3.35 95.42 0.71 0.01 0.01 0.00 0.45 0.06 8 N C C 72.06 7.02 19.08 27.08 112.28 66.11 -110.08 108.84 98.84 0.96 0.20 56.76 41.72 0.55 0.11 0.06 0.00 0.33 0.47 9 V H H 58.64 14.62 13.89 28.79 93.54 -165.44 -62.63 -36.30 3.28 0.01 96.71 0.78 0.59 1.71 95.82 1.09 0.00 0.00 0.00 10 K H H 137.52 1.71 21.51 22.19 91.62 54.55 -63.57 -40.94 2.10 0.01 97.89 0.25 0.20 1.52 96.52 1.52 0.00 0.00 0.00 11 S H H 29.86 8.73 18.76 29.04 91.82 48.86 -65.34 -40.43 1.44 0.01 98.55 0.28 0.12 0.91 96.74 1.94 0.00 0.01 0.00 12 L H H 5.86 24.19 14.30 38.59 91.44 52.07 -63.49 -42.50 0.44 0.00 99.56 0.09 0.03 0.22 99.35 0.31 0.00 0.00 0.00 13 E H H 89.34 9.75 21.98 31.72 91.45 51.50 -63.23 -41.15 0.14 0.00 99.86 0.02 0.01 0.07 99.88 0.03 0.00 0.00 0.00 14 K H H 122.20 2.20 25.64 26.63 91.64 49.93 -64.43 -41.78 0.08 0.00 99.92 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 15 V H H 13.87 18.29 21.12 39.38 91.57 48.77 -64.04 -43.39 0.08 0.00 99.92 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 16 C H H 6.78 22.79 19.97 42.44 91.48 50.54 -63.71 -42.62 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 17 A H H 47.78 5.20 24.67 30.04 91.24 51.18 -63.07 -41.84 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 18 D H H 58.39 6.89 24.65 32.00 91.65 50.00 -64.98 -41.42 0.08 0.00 99.92 0.00 0.00 0.06 99.93 0.01 0.00 0.00 0.00 19 L H H 5.55 24.11 19.75 43.60 91.88 50.06 -63.94 -43.40 0.11 0.00 99.89 0.00 0.00 0.08 99.89 0.02 0.00 0.00 0.00 20 I H H 38.61 15.52 21.71 36.82 91.66 49.59 -63.19 -42.88 0.17 0.00 99.83 0.01 0.01 0.12 99.84 0.02 0.00 0.00 0.00 21 R H H 132.12 2.06 25.49 25.83 91.72 49.50 -63.83 -41.55 0.39 0.00 99.61 0.03 0.01 0.27 99.63 0.05 0.00 0.00 0.00 22 G H H 11.09 10.46 19.00 31.41 91.75 50.39 -63.97 -41.68 1.05 0.00 98.95 0.06 0.05 0.77 98.97 0.14 0.00 0.00 0.00 23 A H H 6.78 19.99 13.28 33.74 91.50 51.25 -63.62 -41.42 1.45 0.01 98.54 0.20 0.11 0.96 98.28 0.45 0.00 0.00 0.00 24 K H H 132.45 3.42 17.76 22.33 91.65 50.31 -64.04 -40.46 1.94 0.01 98.06 0.17 0.10 1.47 97.35 0.89 0.00 0.00 0.00 25 E H H 140.45 1.45 16.81 17.78 91.02 52.24 -66.08 -30.93 7.44 0.01 92.55 0.23 0.28 6.90 91.87 0.69 0.01 0.00 0.01 26 K C T 91.76 8.44 12.61 22.50 95.45 46.20 -95.34 6.86 81.06 0.04 18.90 0.46 1.73 78.00 18.97 0.78 0.00 0.01 0.05 27 N C T 137.70 0.89 18.32 17.67 93.27 -117.90 59.23 39.29 99.84 0.01 0.15 1.84 1.10 96.97 0.05 0.03 0.00 0.00 0.00 28 L C C 28.54 19.64 8.42 26.90 119.35 158.92 -94.62 139.07 98.13 1.85 0.02 97.39 0.84 0.06 0.00 0.01 0.00 1.60 0.10 29 K E E 140.82 2.15 22.96 24.26 110.71 -128.15 -84.55 126.36 44.34 55.61 0.05 43.31 0.82 0.08 0.01 0.03 0.00 55.04 0.71 30 V E E 35.16 21.60 9.50 29.47 120.90 -166.98 -110.25 131.49 8.74 91.23 0.03 8.87 0.22 0.02 0.02 0.01 0.00 87.17 3.70 31 K E E 133.12 3.19 19.19 22.85 111.09 -170.45 -106.13 90.73 20.86 79.10 0.04 17.38 2.80 0.19 0.01 0.03 0.00 78.81 0.78 32 G E E 33.61 4.13 19.72 24.35 131.68 -37.73 114.62 -175.63 46.17 53.82 0.01 16.14 29.02 0.46 0.00 0.02 0.00 54.12 0.24 33 P C C 65.29 12.66 14.54 27.41 115.58 -51.23 -71.04 143.62 54.70 45.28 0.02 48.67 3.88 0.11 0.00 0.02 0.00 46.85 0.45 34 V E E 46.31 12.94 15.43 29.49 121.81 -160.08 -117.20 131.93 13.57 86.40 0.02 12.77 0.58 0.03 0.01 0.01 0.00 79.95 6.65 35 R E E 146.82 5.12 19.37 26.05 115.37 -129.69 -84.31 132.21 26.23 73.75 0.01 26.06 0.58 0.03 0.01 0.01 0.00 68.37 4.95 36 M C C 42.29 19.14 10.76 29.03 119.29 -138.99 -87.49 144.50 87.71 12.27 0.01 86.59 1.71 0.03 0.00 0.01 0.00 11.21 0.45 37 P C C 67.40 5.53 18.11 24.47 115.37 -102.43 -66.48 152.24 93.77 6.18 0.05 88.84 4.64 0.26 0.01 0.04 0.00 5.80 0.41 38 T C C 84.10 8.87 13.08 23.00 108.88 -125.24 -82.35 131.10 75.47 24.37 0.16 57.85 16.16 0.65 0.03 0.16 0.00 24.12 1.04 39 K E E 110.21 6.02 15.06 22.57 122.48 -144.68 -108.81 141.59 19.79 80.10 0.11 16.30 2.96 0.27 0.02 0.10 0.00 79.85 0.51 40 T E E 74.02 8.47 13.52 23.40 120.59 -151.82 -111.93 134.19 3.36 96.61 0.03 3.13 0.19 0.02 0.01 0.01 0.00 96.52 0.11 41 L E E 61.88 10.71 13.00 25.08 121.17 -163.08 -114.92 134.90 0.99 99.01 0.00 0.91 0.05 0.00 0.00 0.00 0.00 99.00 0.03 42 R E E 140.53 5.03 16.29 22.96 118.82 -155.01 -110.01 130.69 0.61 99.39 0.00 0.53 0.03 0.00 0.00 0.00 0.00 99.43 0.01 43 I E E 53.86 12.92 12.04 25.96 121.76 -168.83 -116.59 133.57 1.20 98.80 0.01 1.12 0.04 0.00 0.00 0.00 0.00 98.82 0.02 44 T E E 67.61 5.70 16.73 23.78 121.64 -161.10 -109.92 140.02 4.12 95.85 0.03 3.82 0.18 0.02 0.01 0.01 0.00 95.87 0.09 45 T E E 55.11 12.09 12.00 24.75 121.20 -158.71 -109.77 140.38 10.27 89.64 0.09 8.91 1.19 0.18 0.03 0.05 0.00 89.20 0.45 46 R E E 132.04 5.26 14.36 21.11 118.66 -140.31 -97.26 139.29 19.89 79.97 0.13 16.93 2.95 0.38 0.04 0.10 0.00 78.43 1.19 47 K C C 135.42 4.14 13.30 19.19 115.52 -126.19 -89.38 136.12 53.94 45.92 0.15 45.99 6.69 0.47 0.05 0.13 0.00 43.47 3.21 48 T C C 49.20 9.77 8.59 19.66 115.13 -121.41 -86.80 140.87 93.08 6.76 0.16 86.60 5.78 0.67 0.04 0.13 0.00 5.62 1.16 49 P C T 109.46 1.89 12.51 15.16 93.51 -132.99 -67.44 -18.91 97.20 1.07 1.73 10.99 29.97 56.07 0.15 1.78 0.00 0.74 0.29 50 C C T 86.96 3.62 9.67 14.60 99.85 54.36 -93.71 -0.81 95.64 1.75 2.61 7.14 32.94 55.55 0.26 2.43 0.00 1.02 0.65 51 G C S 42.20 3.35 10.42 15.39 120.87 -88.99 113.59 169.30 90.42 4.40 5.18 28.84 48.08 13.01 0.73 4.64 0.00 2.04 2.67 52 E C T 156.59 1.31 10.11 12.38 108.06 -50.86 -72.12 126.62 91.37 1.72 6.91 6.19 16.06 68.38 0.61 6.93 0.00 1.13 0.70 53 G C T 64.40 0.87 11.66 12.16 97.29 11.83 81.78 -0.03 92.03 1.21 6.76 8.51 16.31 66.44 0.63 6.84 0.00 0.79 0.47 54 S C C 57.33 5.20 8.57 15.79 117.55 124.89 -88.38 146.45 90.35 5.41 4.24 61.99 22.53 5.60 0.75 4.02 0.00 3.38 1.75 55 K C C 143.97 3.19 12.02 16.90 112.99 -131.08 -91.12 127.70 79.19 19.34 1.47 65.10 10.40 2.92 0.32 1.29 0.00 17.84 2.12 56 T E E 68.97 6.93 11.60 20.24 125.59 -168.83 -118.21 147.50 43.34 56.30 0.36 38.02 3.93 0.71 0.09 0.29 0.00 55.01 1.95 57 W E E 119.96 8.90 11.45 21.77 120.51 -142.26 -106.09 138.77 17.82 82.10 0.07 16.30 1.07 0.18 0.02 0.05 0.00 81.38 0.99 58 D E E 78.69 6.35 14.39 22.20 119.39 -162.88 -108.48 137.30 12.99 86.98 0.03 10.55 1.71 0.15 0.01 0.02 0.00 87.39 0.18 59 R E E 130.44 6.49 14.35 22.40 121.56 -103.93 -115.29 136.80 6.05 93.94 0.01 5.44 0.31 0.02 0.00 0.00 0.00 94.12 0.09 60 F E E 63.23 12.09 12.51 25.82 126.79 -169.51 -124.13 144.35 2.46 97.54 0.00 2.33 0.04 0.00 0.00 0.00 0.00 97.57 0.05 61 Q E E 98.42 6.09 16.68 24.26 120.38 -147.95 -108.68 135.61 1.46 98.54 0.00 1.32 0.03 0.00 0.00 0.00 0.00 98.62 0.02 62 M E E 56.02 13.76 13.33 27.73 128.26 -170.71 -128.41 145.86 2.14 97.86 0.00 1.95 0.06 0.00 0.00 0.00 0.00 97.97 0.02 63 R E E 111.44 7.21 18.02 26.34 117.56 -135.83 -101.98 130.54 1.75 98.25 0.00 1.63 0.04 0.00 0.00 0.00 0.00 98.30 0.03 64 I E E 48.05 14.10 15.35 30.22 119.76 -162.86 -110.68 128.60 2.96 97.04 0.00 2.72 0.12 0.01 0.00 0.00 0.00 97.09 0.06 65 H E E 54.91 11.74 17.54 30.45 121.40 -162.08 -110.71 136.63 4.71 95.28 0.01 4.21 0.28 0.02 0.00 0.00 0.00 95.40 0.09 66 K E E 86.82 11.82 18.74 30.79 126.28 -167.18 -122.21 140.23 7.13 92.86 0.00 6.53 0.36 0.01 0.00 0.00 0.00 93.00 0.09 67 R E E 53.97 15.88 17.57 33.51 124.17 -167.72 -117.74 138.03 3.94 96.06 0.00 3.74 0.12 0.00 0.00 0.00 0.00 96.07 0.06 68 L E E 51.35 11.07 21.98 33.81 118.91 -155.41 -110.82 129.22 0.95 99.05 0.00 0.87 0.03 0.00 0.00 0.00 0.00 99.08 0.02 69 I E E 11.37 22.11 17.46 39.84 120.24 -165.28 -114.95 127.40 0.27 99.73 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 70 D E E 55.15 8.64 25.26 34.40 115.44 -158.03 -104.97 123.35 0.66 99.34 0.00 0.59 0.02 0.00 0.00 0.00 0.00 99.38 0.01 71 L E E 13.40 22.38 14.05 36.50 118.15 -163.03 -105.40 129.31 9.08 90.85 0.07 8.67 0.34 0.05 0.02 0.03 0.00 90.51 0.37 72 H C E 99.24 6.58 20.49 27.53 107.99 -164.09 -92.29 11.39 53.68 46.17 0.15 27.78 25.55 1.56 0.03 0.14 0.00 44.13 0.82 73 S C S 52.19 6.78 18.56 26.23 123.03 15.02 -137.63 135.37 90.75 9.08 0.16 19.24 69.11 1.96 0.03 0.10 0.00 9.14 0.42 74 P C C 56.83 12.91 14.08 27.22 106.81 -115.11 -69.44 117.83 93.78 1.69 4.53 80.57 8.67 4.76 3.08 1.31 0.00 1.14 0.48 75 S C C 51.12 8.31 15.25 24.54 109.78 153.90 -84.59 -50.38 66.98 0.58 32.44 46.93 11.37 7.04 31.97 2.14 0.00 0.22 0.32 76 E H H 126.37 2.81 18.48 21.41 93.38 -83.72 -64.84 -34.24 19.31 0.24 80.46 7.91 4.69 7.29 77.80 2.07 0.02 0.09 0.12 77 I H H 37.36 14.30 15.97 30.68 93.04 52.22 -65.61 -41.49 8.05 0.22 91.73 3.52 1.30 3.47 89.60 1.89 0.02 0.13 0.06 78 V H H 22.59 18.44 14.72 32.91 92.00 51.06 -64.26 -41.89 2.83 0.12 97.05 1.19 0.43 1.30 95.37 1.59 0.01 0.10 0.02 79 K H H 115.10 3.84 19.88 24.15 91.72 52.04 -64.09 -40.20 1.98 0.07 97.95 0.64 0.26 1.07 96.10 1.86 0.01 0.06 0.01 80 Q H H 88.29 5.52 19.46 25.65 92.23 50.88 -65.77 -39.78 2.90 0.09 97.00 0.70 0.32 1.83 94.23 2.81 0.01 0.08 0.01 81 I H H 18.57 21.17 14.54 35.14 93.04 50.48 -67.37 -38.12 4.52 0.15 95.33 0.82 0.50 3.07 91.87 3.56 0.03 0.12 0.02 82 T H H 55.21 13.49 16.29 29.62 92.78 57.09 -70.73 -22.34 19.39 0.35 80.26 1.95 1.75 15.32 77.52 3.03 0.10 0.21 0.13 83 S C T 83.43 1.87 19.75 21.00 94.98 56.79 -88.89 -7.33 56.65 1.03 42.32 6.60 4.61 43.19 40.36 4.15 0.09 0.57 0.43 84 I C C 50.77 15.63 10.32 25.92 117.22 105.66 -80.25 137.11 90.98 6.89 2.13 58.54 30.14 2.92 1.72 0.62 0.00 4.40 1.66 85 S C C 82.92 2.61 20.09 23.15 113.28 -140.70 -96.92 125.89 81.66 17.73 0.61 78.35 2.37 1.05 0.32 0.25 0.00 14.98 2.69 86 I C C 40.96 20.32 10.11 29.05 122.07 -168.93 -115.25 133.60 55.25 44.60 0.15 53.08 2.32 0.09 0.13 0.04 0.00 16.11 28.23 87 E C C 108.12 4.31 19.09 23.87 117.55 -122.02 -76.45 149.16 99.20 0.78 0.01 98.79 0.59 0.05 0.00 0.00 0.00 0.45 0.11 88 P C T 92.92 5.51 15.10 22.26 111.24 -84.86 -60.68 139.02 99.13 0.55 0.33 0.90 3.73 94.69 0.03 0.22 0.00 0.36 0.09 89 G C T 45.11 4.48 17.61 23.20 96.49 22.77 87.45 -5.48 98.72 1.02 0.26 1.53 3.66 93.66 0.02 0.21 0.00 0.87 0.05 90 V C C 34.51 16.22 11.47 28.16 118.63 120.50 -95.55 134.57 63.48 36.45 0.07 57.99 3.97 0.20 0.01 0.06 0.00 37.06 0.71 91 E E E 111.60 5.08 20.25 26.53 120.46 -156.73 -112.24 133.09 13.63 86.34 0.03 13.40 0.27 0.03 0.01 0.01 0.00 86.02 0.25 92 V E E 36.04 19.52 12.16 31.08 125.46 -171.16 -125.86 136.24 7.43 92.56 0.01 7.43 0.09 0.01 0.00 0.00 0.00 92.38 0.08 93 E E E 110.04 4.32 20.84 26.05 121.12 -164.21 -117.13 132.44 5.41 94.58 0.01 5.38 0.11 0.01 0.00 0.00 0.00 94.41 0.08 94 V E E 42.47 17.72 11.30 28.56 121.90 -167.27 -118.37 132.25 8.91 91.08 0.01 8.91 0.13 0.01 0.00 0.00 0.00 90.79 0.14 95 T E E 78.80 4.12 17.18 22.47 120.21 -165.12 -114.69 133.48 17.85 82.12 0.02 17.77 0.19 0.03 0.01 0.01 0.00 81.46 0.53 96 I C C 73.11 12.79 12.88 25.96 115.78 -154.58 -100.57 123.99 95.89 4.11 0.00 95.85 0.08 0.01 0.00 0.00 0.00 4.03 0.03