# 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 120.84 4.46 12.86 18.69 117.96 -143.94 -94.78 134.36 99.94 0.05 0.01 99.76 0.19 0.02 0.00 0.00 0.00 0.02 0.01 1 A C C 65.37 5.88 10.05 17.65 117.15 -107.94 -71.42 148.72 98.38 0.11 1.51 97.80 0.26 0.60 1.11 0.12 0.00 0.03 0.07 2 P C C 81.33 6.20 9.63 17.52 112.26 -103.41 -66.35 148.56 88.49 0.56 10.95 77.62 4.74 6.60 7.76 2.68 0.00 0.25 0.36 3 K C C 156.58 2.04 11.39 14.76 109.39 -116.99 -82.92 126.89 76.36 3.05 20.60 58.31 10.09 7.40 15.79 5.32 0.00 1.60 1.49 4 V C C 89.45 6.74 8.98 17.13 116.54 -151.56 -97.16 133.24 64.71 4.41 30.87 49.56 9.46 5.46 25.75 5.60 0.01 2.78 1.38 5 Q C C 123.71 3.54 11.45 16.61 111.66 -140.64 -89.37 126.98 63.98 3.20 32.82 52.45 6.38 4.74 29.18 4.31 0.00 2.01 0.92 6 Q C C 109.69 5.87 10.82 18.25 113.35 -142.43 -90.25 134.37 62.70 1.87 35.43 50.39 6.96 4.35 33.99 2.74 0.00 1.01 0.56 7 T C H 72.53 4.63 12.62 18.58 115.58 -134.85 -85.31 155.24 54.34 1.04 44.62 44.12 5.57 3.46 44.53 1.52 0.00 0.46 0.34 8 K H H 135.31 3.96 13.58 18.82 94.22 -108.66 -63.96 -36.62 10.21 0.20 89.59 6.29 2.00 2.64 87.57 1.35 0.00 0.09 0.06 9 A H H 57.13 5.34 14.08 20.76 92.76 53.79 -65.87 -39.67 6.34 0.15 93.51 3.43 1.05 2.27 91.70 1.43 0.00 0.08 0.04 10 A H H 49.77 5.80 14.67 21.97 92.85 51.33 -65.86 -39.42 4.88 0.13 95.00 2.60 0.77 1.86 93.16 1.50 0.01 0.08 0.03 11 K H H 112.52 4.76 16.94 22.51 92.69 51.30 -66.49 -39.20 4.73 0.12 95.14 2.38 0.72 1.89 93.73 1.17 0.01 0.07 0.03 12 A H H 46.99 6.18 15.96 23.47 92.91 51.62 -65.54 -39.56 5.49 0.13 94.38 2.59 0.77 2.29 92.98 1.24 0.01 0.08 0.04 13 A H H 51.00 5.93 16.42 23.44 92.93 51.66 -65.20 -39.26 7.93 0.19 91.88 3.61 1.14 3.49 89.70 1.88 0.01 0.11 0.06 14 A H H 54.00 5.65 16.40 23.15 92.95 51.54 -66.28 -37.42 13.33 0.30 86.37 5.44 1.80 6.41 83.46 2.58 0.02 0.17 0.11 15 A H H 59.81 5.62 15.72 22.48 93.82 53.35 -68.44 -32.97 23.59 0.54 75.87 9.34 3.34 11.58 72.28 2.91 0.04 0.28 0.23 16 L H H 100.19 5.57 14.52 21.21 96.14 55.36 -77.80 -19.57 40.20 1.31 58.49 16.67 6.91 18.33 53.76 3.02 0.06 0.61 0.62 17 A C H 67.21 5.84 12.35 19.57 105.66 79.77 -79.46 57.11 61.80 1.60 36.60 21.66 13.42 27.27 32.86 3.28 0.05 0.65 0.80 18 G C T 51.72 3.59 13.05 17.93 107.66 16.70 82.40 3.20 81.38 1.31 17.30 30.72 19.33 31.88 12.39 4.38 0.01 0.56 0.74 19 G C C 45.42 4.96 11.23 17.78 114.10 41.00 80.70 170.37 84.61 1.79 13.60 44.80 21.83 18.31 7.05 6.14 0.00 0.79 1.07 20 K C C 145.02 3.11 11.52 16.06 107.49 -65.15 -85.24 86.03 79.51 2.48 18.02 47.13 18.74 13.60 8.81 9.10 0.01 1.09 1.53 21 K C C 145.15 2.91 10.39 14.96 106.15 57.69 -82.42 83.33 74.90 1.83 23.27 34.65 19.49 21.39 9.02 13.52 0.01 0.81 1.12 22 G C C 50.47 3.91 10.72 16.13 106.63 29.37 -56.40 21.42 75.46 1.54 22.99 35.61 19.56 20.84 8.26 14.08 0.01 0.68 0.95 23 K C C 144.41 3.10 10.62 15.25 107.97 57.86 -84.59 96.59 74.40 1.99 23.61 46.64 15.92 11.73 10.31 13.31 0.00 0.91 1.17 24 K C C 130.29 4.33 10.12 16.29 112.86 -167.28 -87.17 131.88 76.48 2.62 20.90 52.36 13.99 9.89 10.65 10.44 0.00 1.33 1.33 25 K C C 142.06 3.17 11.53 16.27 110.71 -139.72 -87.85 125.06 75.40 5.01 19.59 51.06 13.56 10.40 9.97 9.98 0.01 2.81 2.21 26 W C C 140.94 7.86 9.10 18.01 111.38 -148.25 -90.81 119.57 74.47 7.51 18.02 47.41 15.07 11.69 9.70 8.60 0.02 4.16 3.35 27 N C C 97.59 4.85 10.45 16.91 114.12 -138.87 -96.35 128.41 80.00 6.24 13.76 55.53 13.06 10.92 8.00 6.17 0.01 3.71 2.59 28 K C T 151.22 2.66 10.15 14.57 106.57 -150.95 -90.54 64.58 75.55 3.38 21.07 27.02 20.09 29.33 12.52 7.73 0.05 1.67 1.60 29 G C T 51.57 2.79 10.96 15.16 111.00 33.67 67.58 -138.06 75.64 1.71 22.65 21.23 24.14 31.25 13.27 8.34 0.03 0.80 0.93 30 K C C 152.93 2.18 12.00 15.20 104.84 -15.73 -85.12 22.31 67.37 4.46 28.17 34.87 19.54 13.80 19.70 7.90 0.06 2.30 1.83 31 V C C 75.72 8.07 9.38 18.64 112.99 80.82 -94.02 121.67 57.22 7.25 35.53 36.91 12.73 8.41 28.64 6.66 0.07 4.08 2.50 32 K C H 120.76 5.58 13.12 19.97 107.54 -152.72 -83.20 111.52 51.96 4.68 43.36 31.42 10.95 10.79 34.51 7.97 0.06 2.89 1.42 33 D C H 76.06 6.67 14.47 22.18 107.30 -108.54 -83.26 102.88 52.61 3.33 44.06 33.37 9.14 10.74 34.10 9.48 0.03 2.06 1.07 34 K H H 94.24 10.91 14.74 25.86 95.52 84.96 -69.20 -27.11 36.02 2.57 61.41 19.53 6.45 10.06 39.42 22.06 0.06 1.62 0.80 35 A H H 41.95 11.25 14.33 26.40 93.20 64.99 -67.18 -28.94 25.25 1.98 72.77 9.37 4.34 10.82 37.37 36.24 0.06 1.35 0.45 36 Q H G 102.18 6.94 18.12 25.81 93.76 62.38 -75.57 -17.42 33.35 1.82 64.84 7.22 5.64 18.66 30.72 35.87 0.15 1.15 0.59 37 H H G 74.29 12.76 16.43 29.37 99.68 51.54 -99.67 7.36 47.50 3.27 49.23 12.53 9.16 25.91 19.14 29.71 0.20 2.00 1.35 38 I C C 60.39 13.11 17.54 31.12 117.72 110.69 -87.49 135.23 68.77 22.06 9.17 46.55 17.32 4.56 6.55 3.37 0.06 12.79 8.80 39 V C C 40.43 16.99 16.60 33.33 114.63 -145.65 -98.92 124.23 62.98 30.59 6.43 51.01 7.19 3.04 4.82 2.24 0.03 24.76 6.92 40 I C C 81.89 9.46 21.55 31.19 113.86 -160.21 -101.21 119.89 66.09 29.52 4.39 50.99 11.41 2.64 3.43 1.61 0.02 23.26 6.66 41 L C C 27.36 20.75 11.52 31.21 118.73 -149.10 -98.31 136.33 81.70 16.84 1.45 65.36 15.54 0.99 1.22 0.48 0.00 12.19 4.22 42 D C C 80.04 4.41 18.76 23.42 113.22 -121.43 -80.09 138.04 97.94 1.53 0.53 96.64 1.26 0.22 0.41 0.06 0.00 1.13 0.29 43 Q H H 115.46 5.76 13.32 20.91 93.22 -124.43 -61.20 -37.80 1.97 0.00 98.03 0.33 0.27 1.09 98.02 0.28 0.00 0.00 0.00 44 E H H 132.30 1.20 17.88 17.55 91.96 52.46 -64.98 -40.18 1.41 0.00 98.59 0.17 0.11 0.98 98.32 0.41 0.00 0.00 0.00 45 K H H 62.93 10.66 15.83 27.48 92.40 48.03 -66.70 -39.82 0.69 0.00 99.31 0.13 0.06 0.41 99.00 0.40 0.00 0.00 0.00 46 Y H H 28.19 18.99 13.53 32.40 91.44 52.31 -62.68 -42.61 0.28 0.00 99.72 0.05 0.02 0.13 99.72 0.08 0.00 0.00 0.00 47 D H H 74.25 3.69 20.72 24.46 91.28 50.90 -63.36 -40.94 0.33 0.00 99.67 0.05 0.02 0.18 99.72 0.04 0.00 0.00 0.00 48 R H H 112.02 3.66 21.33 24.79 91.55 50.64 -64.31 -41.91 0.26 0.00 99.74 0.02 0.01 0.17 99.75 0.05 0.00 0.00 0.00 49 I H H 8.73 21.31 15.63 37.16 91.91 49.74 -63.97 -42.66 0.19 0.00 99.81 0.01 0.01 0.13 99.76 0.08 0.00 0.00 0.00 50 L H H 50.87 15.42 17.17 32.25 91.66 51.95 -64.30 -37.71 0.66 0.00 99.34 0.03 0.02 0.56 99.03 0.35 0.00 0.00 0.00 51 K H H 146.80 1.38 21.38 21.20 92.81 50.87 -68.54 -35.49 5.36 0.00 94.64 0.07 0.12 5.53 93.72 0.55 0.00 0.00 0.00 52 D H H 66.94 8.15 18.17 26.96 96.94 41.22 -83.80 -30.91 11.70 0.01 88.28 0.19 0.71 11.07 87.54 0.46 0.02 0.00 0.01 53 V C C 11.37 21.10 11.22 31.95 104.91 39.82 -112.45 55.66 95.39 0.36 4.26 56.18 36.27 2.84 3.35 0.85 0.00 0.08 0.44 54 P C T 76.69 8.06 15.98 25.45 92.76 141.99 -64.90 -23.74 94.79 0.20 5.01 18.28 5.46 70.67 0.53 4.84 0.00 0.12 0.10 55 T C T 104.03 2.03 18.99 20.70 95.16 53.10 -92.71 -4.22 94.01 0.31 5.68 5.57 8.15 79.49 0.41 6.06 0.00 0.18 0.13 56 Y C C 56.49 17.54 10.58 27.53 116.54 102.93 -81.88 137.84 95.73 2.23 2.04 82.68 11.17 1.82 0.33 1.94 0.00 1.23 0.83 57 K C S 126.83 5.29 20.55 26.99 97.66 -163.37 -83.66 -27.23 95.58 4.04 0.38 24.91 68.91 2.12 0.05 0.35 0.00 3.22 0.45 58 Y E E 83.12 11.90 21.26 33.28 128.69 30.22 -132.68 139.30 26.30 73.00 0.70 14.29 12.41 2.31 0.21 0.54 0.01 66.77 3.44 59 V E E 9.31 23.49 18.57 42.01 121.58 -169.80 -122.89 129.90 15.85 83.99 0.16 13.50 1.81 0.12 0.13 0.08 0.00 74.36 9.99 60 S C C 21.89 11.94 26.64 39.29 127.51 -134.28 -101.84 163.66 64.22 35.65 0.13 64.84 1.08 0.05 0.11 0.03 0.00 32.53 1.35 61 V H H 14.79 23.04 19.02 41.99 91.51 -108.86 -59.98 -37.23 1.84 0.01 98.15 0.12 0.16 1.51 97.67 0.54 0.00 0.00 0.00 62 S H H 46.01 8.87 23.88 33.20 91.49 55.91 -63.07 -40.43 0.99 0.01 99.00 0.07 0.06 0.81 98.45 0.60 0.00 0.00 0.00 63 V H H 34.14 10.05 23.18 34.23 91.88 49.19 -65.07 -42.19 0.63 0.02 99.36 0.07 0.06 0.47 98.63 0.75 0.00 0.01 0.00 64 L H H 3.51 24.41 17.67 42.35 92.05 49.63 -64.36 -43.34 0.80 0.05 99.16 0.12 0.12 0.55 98.83 0.34 0.01 0.02 0.01 65 V H H 20.76 16.12 17.03 33.66 92.00 49.85 -63.96 -43.04 1.69 0.11 98.20 0.24 0.29 1.17 97.86 0.33 0.04 0.04 0.04 66 D H H 99.59 2.33 20.92 22.93 92.62 47.46 -65.96 -40.94 2.46 0.03 97.50 0.21 0.20 1.96 96.97 0.61 0.02 0.02 0.01 67 R H H 112.28 8.41 18.06 27.05 93.01 45.44 -69.98 -37.68 5.40 0.02 94.57 0.17 0.40 4.83 93.97 0.60 0.02 0.01 0.01 68 L H H 35.57 16.38 14.37 30.90 96.30 33.17 -96.98 -4.44 19.81 0.12 80.07 1.10 3.07 15.48 79.45 0.75 0.05 0.03 0.08 69 K C T 159.70 1.95 20.52 22.49 93.40 -126.56 57.40 40.81 99.56 0.08 0.35 24.46 6.91 68.29 0.17 0.09 0.00 0.05 0.03 70 I C C 30.97 18.45 12.29 30.47 126.57 138.97 -116.21 145.69 97.78 2.01 0.20 85.13 11.98 0.52 0.12 0.07 0.00 0.68 1.50 71 G C C 39.22 5.06 22.90 27.83 118.70 -108.11 -76.83 159.12 98.97 0.74 0.29 97.57 1.27 0.27 0.17 0.05 0.00 0.24 0.42 72 G H H 27.39 15.69 17.05 31.48 100.10 -100.84 -53.31 -39.70 25.60 0.23 74.18 5.88 10.51 9.89 71.90 1.57 0.04 0.06 0.14 73 S H H 63.38 4.90 24.68 29.57 92.89 51.93 -65.19 -40.40 7.71 0.06 92.22 1.32 1.39 4.93 91.01 1.28 0.02 0.02 0.03 74 L H H 34.33 15.37 22.48 37.45 91.97 50.02 -65.18 -41.17 1.17 0.00 98.82 0.26 0.12 0.65 98.23 0.75 0.00 0.00 0.00 75 A H H 1.47 26.70 18.07 45.38 91.09 51.42 -63.28 -42.77 0.27 0.00 99.73 0.06 0.02 0.13 99.61 0.18 0.00 0.00 0.00 76 R H H 90.90 12.49 25.83 37.76 91.43 51.40 -63.07 -42.16 0.13 0.00 99.87 0.01 0.01 0.07 99.85 0.06 0.00 0.00 0.00 77 V H H 50.10 6.38 27.74 35.34 91.36 49.98 -63.64 -42.96 0.04 0.00 99.96 0.00 0.00 0.02 99.95 0.02 0.00 0.00 0.00 78 A H H 2.54 23.22 22.56 45.76 91.37 49.87 -63.53 -43.85 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 79 L H H 3.10 25.93 21.41 47.29 91.22 49.63 -64.01 -42.25 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 80 R H H 113.90 5.92 26.30 32.61 91.42 50.90 -63.07 -42.70 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 81 Q H H 56.33 8.10 23.36 32.21 91.72 49.55 -64.50 -41.80 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 82 L H H 4.64 23.14 15.68 39.29 91.68 49.68 -64.28 -42.48 0.14 0.00 99.86 0.02 0.00 0.08 99.85 0.05 0.00 0.00 0.00 83 E H H 69.10 13.62 16.66 30.11 91.79 50.30 -63.27 -41.86 0.24 0.00 99.76 0.02 0.01 0.17 99.65 0.15 0.00 0.00 0.00 84 E H H 150.13 1.09 19.20 19.04 90.92 50.96 -64.56 -32.44 2.47 0.00 97.53 0.04 0.05 2.54 97.13 0.24 0.00 0.00 0.00 85 D C T 82.53 5.79 15.44 22.58 92.23 51.33 -85.98 -4.62 85.24 0.00 14.75 0.07 0.38 84.88 14.45 0.21 0.00 0.00 0.01 86 G C T 44.91 4.81 18.52 24.41 94.28 -112.77 81.65 12.91 99.92 0.00 0.08 0.11 0.65 99.20 0.03 0.01 0.00 0.00 0.00 87 I C S 27.54 16.59 16.86 34.18 95.39 119.64 -80.57 -26.60 99.71 0.29 0.01 7.50 91.83 0.48 0.00 0.00 0.00 0.16 0.03 88 I E E 3.29 25.80 13.64 40.51 132.07 30.27 -133.98 146.72 22.05 77.95 0.00 10.34 13.44 0.17 0.00 0.01 0.00 75.08 0.96 89 T E E 60.15 7.00 25.88 33.25 122.37 -157.81 -120.38 132.27 3.48 96.52 0.00 3.23 0.11 0.00 0.00 0.00 0.00 96.62 0.04 90 P E E 55.23 16.33 16.76 32.54 110.68 -114.76 -68.95 129.46 1.37 98.63 0.00 1.39 0.01 0.00 0.00 0.00 0.00 98.58 0.02 91 V E E 49.98 11.92 17.62 30.47 101.07 177.72 -96.23 -33.46 2.55 97.44 0.00 1.76 0.45 0.02 0.00 0.00 0.00 97.76 0.01 92 L E E 60.85 8.24 19.16 28.62 136.02 1.03 -148.04 147.40 0.69 99.31 0.00 0.51 0.07 0.01 0.00 0.00 0.00 99.40 0.01 93 K E E 113.49 10.38 13.35 24.99 122.73 -161.98 -124.02 129.38 2.97 97.02 0.01 2.55 0.19 0.03 0.00 0.00 0.00 97.18 0.05 94 H E E 85.44 7.12 13.01 21.69 124.38 176.25 -126.48 145.16 35.89 64.03 0.07 32.23 2.04 0.23 0.01 0.06 0.00 65.06 0.37 95 S C T 93.98 1.60 14.70 16.07 99.18 -60.09 12.78 -73.57 98.96 0.51 0.54 1.83 32.51 64.62 0.01 0.59 0.00 0.37 0.07 96 K C T 146.91 4.00 14.30 19.09 98.17 -7.42 -95.83 1.74 99.07 0.42 0.51 1.91 31.82 65.31 0.01 0.58 0.00 0.31 0.05 97 Q E E 51.53 13.47 14.23 28.44 126.98 82.84 -119.14 143.65 21.45 78.45 0.09 15.95 4.48 0.65 0.01 0.08 0.00 78.56 0.26 98 A E E 18.68 15.10 19.07 35.18 119.91 -146.31 -107.05 134.45 1.65 98.34 0.00 1.57 0.03 0.00 0.00 0.00 0.00 98.37 0.02 99 I E E 14.92 17.41 22.55 40.63 120.90 -159.68 -113.72 130.45 0.20 99.80 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 100 Y E E 11.57 21.95 21.22 43.16 125.40 -167.69 -115.96 142.35 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 101 T E E 21.53 14.62 23.65 38.56 133.61 -174.30 -134.03 153.53 1.00 99.00 0.00 0.90 0.03 0.00 0.00 0.00 0.00 99.04 0.03 102 R E E 74.69 14.51 18.35 32.70 114.71 -106.29 -75.62 140.03 15.74 84.19 0.06 14.45 0.97 0.12 0.02 0.03 0.00 83.96 0.45 103 A C C 40.12 13.31 13.63 27.29 113.27 -114.56 -74.69 145.50 90.81 8.92 0.27 89.89 0.76 0.44 0.06 0.13 0.00 8.30 0.41 104 Q C C 128.96 3.52 17.12 21.72 106.25 -126.52 -88.89 102.66 99.89 0.10 0.01 99.81 0.08 0.03 0.00 0.00 0.00 0.06 0.01