# 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 118.81 5.36 13.61 20.52 114.50 -150.84 -91.71 130.95 99.89 0.09 0.02 99.74 0.13 0.06 0.01 0.00 0.00 0.04 0.01 1 K C C 111.32 7.87 11.77 21.01 117.49 -149.32 -94.85 135.86 98.54 1.05 0.41 96.28 1.57 0.74 0.22 0.11 0.00 0.30 0.78 2 D C C 71.80 5.64 16.46 23.20 112.55 -134.53 -91.59 125.93 99.31 0.22 0.46 92.28 6.72 0.37 0.32 0.09 0.00 0.08 0.15 3 P H G 39.32 17.47 12.30 29.86 91.43 -132.85 -60.01 -28.55 14.87 0.14 85.00 2.61 1.47 9.69 30.99 55.10 0.00 0.09 0.04 4 R H G 114.08 10.70 17.14 28.21 91.18 65.23 -69.69 -18.90 10.86 0.14 89.00 1.24 1.00 7.83 33.24 56.56 0.01 0.10 0.03 5 D H G 75.41 6.86 20.15 27.61 93.67 60.91 -77.48 -16.56 10.18 0.31 89.51 2.11 1.48 6.13 33.00 56.98 0.01 0.22 0.05 6 V H H 25.52 18.57 16.53 34.84 99.72 59.59 -85.42 -18.54 32.35 6.78 60.87 8.09 7.74 17.60 32.40 26.75 1.10 4.44 1.87 7 L E E 27.47 20.60 14.87 35.15 112.81 89.77 -88.92 121.27 28.55 64.32 7.13 21.35 5.35 2.14 6.24 2.08 0.13 32.39 30.32 8 K C C 103.08 8.76 20.14 29.37 101.71 -174.94 -94.32 -25.42 63.15 34.90 1.95 44.93 16.48 2.16 1.37 0.84 0.01 30.52 3.69 9 R C S 127.40 6.49 21.96 29.12 124.68 7.56 -140.06 136.11 69.50 30.38 0.11 31.10 38.70 0.61 0.03 0.08 0.00 28.61 0.87 10 P C C 41.37 18.73 15.17 33.10 115.41 -109.28 -67.62 146.43 73.22 26.62 0.15 70.33 2.34 0.26 0.05 0.09 0.00 25.24 1.69 11 V C C 50.37 12.04 20.20 32.80 116.44 -139.56 -103.67 125.68 58.69 41.07 0.24 54.78 3.42 0.26 0.17 0.11 0.00 23.72 17.55 12 I C C 60.02 16.02 15.43 31.25 117.57 -152.46 -100.47 127.01 85.07 14.76 0.17 81.19 3.99 0.22 0.10 0.07 0.00 11.58 2.85 13 T C C 43.55 8.65 15.55 25.77 127.39 -162.64 -101.38 170.87 94.31 4.60 1.09 85.63 8.38 0.58 1.01 0.21 0.00 2.74 1.45 14 E H H 145.18 1.79 16.38 18.51 91.07 -100.26 -59.43 -36.77 22.63 0.35 77.03 3.86 5.44 14.35 67.42 8.42 0.17 0.16 0.18 15 R H H 132.93 4.16 17.26 22.30 91.97 52.75 -65.98 -37.95 21.95 0.33 77.73 3.64 3.56 15.10 67.55 9.68 0.13 0.17 0.16 16 S H H 12.27 18.89 11.92 30.57 92.81 51.75 -67.64 -36.87 16.72 0.50 82.78 6.42 2.91 7.78 70.62 11.75 0.05 0.30 0.17 17 A H H 47.37 6.86 16.82 25.01 91.96 57.18 -63.15 -40.26 11.17 0.40 88.44 5.24 2.05 4.63 80.59 7.10 0.04 0.24 0.12 18 D H H 86.11 1.94 19.65 20.35 92.39 51.71 -65.76 -39.07 13.89 0.73 85.38 4.72 2.33 7.77 77.53 6.82 0.12 0.51 0.20 19 L H H 33.18 12.43 13.57 27.26 92.67 51.01 -67.02 -38.55 14.19 1.09 84.72 5.49 2.46 7.62 76.07 7.15 0.12 0.79 0.29 20 M H H 67.12 13.66 12.52 26.15 92.88 55.01 -65.94 -39.22 16.44 0.77 82.79 6.60 2.41 8.08 73.17 8.89 0.08 0.56 0.22 21 T H H 106.13 1.52 16.15 17.25 92.10 54.51 -67.42 -29.54 26.34 1.33 72.33 5.27 3.40 17.92 62.47 9.32 0.26 0.83 0.53 22 E C T 119.34 2.86 15.19 18.62 95.45 49.46 -89.07 1.32 80.21 0.18 19.61 2.52 7.35 70.41 14.09 5.36 0.01 0.08 0.19 23 K C T 127.57 7.21 15.67 24.19 94.93 -116.57 60.35 36.40 98.99 0.12 0.88 4.68 6.17 88.39 0.31 0.34 0.00 0.07 0.03 24 K C C 70.67 11.93 17.61 30.09 126.78 136.90 -113.53 146.34 63.98 35.90 0.13 54.60 7.86 0.43 0.04 0.09 0.00 34.66 2.31 25 Y E E 33.62 18.34 19.32 37.60 117.03 -127.89 -92.75 133.68 22.95 77.02 0.03 21.95 0.66 0.05 0.01 0.01 0.00 76.95 0.36 26 T E E 23.95 16.36 23.06 39.36 127.52 -167.58 -122.63 140.94 5.19 94.80 0.00 5.10 0.09 0.00 0.00 0.00 0.00 94.72 0.07 27 F E E 11.50 22.64 20.40 42.72 128.65 -171.98 -128.62 141.01 0.58 99.42 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.45 0.01 28 E E E 68.44 11.13 26.29 37.74 116.81 -140.78 -101.93 127.32 0.22 99.78 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.01 29 V E E 7.38 23.85 15.53 39.51 132.54 -173.36 -129.75 150.96 2.66 97.34 0.00 2.68 0.04 0.00 0.00 0.00 0.00 97.07 0.21 30 D C C 53.07 8.11 22.72 31.57 110.42 -105.88 -71.97 131.44 59.52 40.46 0.02 59.68 0.47 0.03 0.00 0.02 0.00 39.41 0.39 31 V C T 62.87 15.11 15.27 30.48 91.76 -134.66 -64.66 -21.87 98.50 0.88 0.62 0.65 4.48 93.59 0.02 0.60 0.00 0.58 0.08 32 R C T 166.58 1.92 21.34 22.86 93.36 60.81 -87.70 -3.32 99.09 0.36 0.55 0.70 3.72 94.73 0.01 0.57 0.00 0.24 0.03 33 A C C 10.93 20.73 9.78 30.33 116.69 119.50 -68.94 142.87 98.85 0.96 0.19 68.07 30.67 0.26 0.06 0.11 0.00 0.37 0.47 34 N C C 76.70 3.63 24.05 26.69 125.21 -138.39 -95.37 165.75 95.55 4.28 0.17 94.79 0.67 0.05 0.10 0.02 0.00 0.63 3.73 35 K H H 89.67 15.42 14.52 29.38 91.11 -102.38 -58.73 -37.65 1.69 0.00 98.31 0.22 0.25 0.98 98.41 0.14 0.00 0.00 0.00 36 T H H 87.42 2.29 22.10 23.54 91.74 52.87 -64.23 -40.67 0.89 0.00 99.10 0.08 0.08 0.62 99.09 0.13 0.00 0.00 0.00 37 E H H 68.58 9.15 20.76 30.51 91.99 49.22 -65.50 -40.82 0.27 0.00 99.73 0.04 0.02 0.15 99.69 0.09 0.00 0.00 0.00 38 V H H 1.61 26.94 15.58 43.37 91.15 49.67 -63.58 -43.74 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 39 K H H 74.43 14.44 21.98 35.36 91.34 51.32 -61.97 -42.43 0.06 0.00 99.94 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 40 D H H 83.81 2.53 26.63 28.02 91.74 49.18 -64.77 -41.62 0.11 0.00 99.89 0.00 0.00 0.08 99.91 0.00 0.00 0.00 0.00 41 A H H 9.29 16.09 20.92 37.79 91.63 50.52 -64.04 -43.06 0.15 0.00 99.85 0.01 0.01 0.11 99.87 0.01 0.00 0.00 0.00 42 V H H 1.90 26.69 17.17 44.49 91.50 48.64 -64.70 -43.03 0.15 0.00 99.85 0.01 0.01 0.11 99.86 0.02 0.00 0.00 0.00 43 E H H 82.39 10.54 19.94 30.57 91.85 51.46 -63.43 -41.51 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 44 S H H 73.76 2.78 22.11 24.51 92.91 48.31 -67.59 -39.79 0.21 0.00 99.79 0.01 0.00 0.20 99.74 0.05 0.00 0.00 0.00 45 I H H 39.66 16.22 17.72 33.47 98.09 38.94 -81.72 -40.38 0.96 0.00 99.03 0.01 0.02 0.96 98.93 0.07 0.00 0.00 0.00 46 F H H 23.12 19.96 15.41 35.44 101.68 23.90 -106.71 -8.90 5.61 0.02 94.37 0.24 0.59 4.53 94.50 0.11 0.01 0.00 0.01 47 G C C 50.46 3.06 22.61 25.76 94.39 -121.89 69.82 27.31 99.63 0.21 0.16 37.06 30.15 32.44 0.06 0.09 0.00 0.12 0.07 48 V C C 18.98 19.86 12.29 32.21 127.23 129.18 -116.10 147.51 94.12 5.84 0.04 76.61 17.64 0.26 0.01 0.03 0.00 4.84 0.61 49 K C C 122.82 3.55 24.46 27.99 113.19 -130.17 -90.69 126.46 87.85 12.13 0.02 87.37 0.87 0.06 0.00 0.01 0.00 11.34 0.35 50 V E E 16.56 23.87 10.34 33.55 113.56 -147.36 -90.33 126.29 26.10 73.87 0.03 27.29 0.28 0.03 0.01 0.02 0.00 71.30 1.08 51 D E E 88.69 3.44 21.55 25.18 98.09 -176.53 -86.85 -34.51 26.21 73.76 0.03 14.21 12.17 0.24 0.00 0.02 0.00 73.21 0.14 52 K E E 98.12 4.44 23.17 28.41 138.74 -0.27 -153.45 150.46 4.33 95.66 0.01 3.28 0.60 0.05 0.00 0.01 0.00 96.02 0.04 53 V E E 32.73 22.77 11.92 33.50 125.53 -164.76 -130.39 132.89 1.46 98.54 0.00 1.29 0.05 0.00 0.00 0.00 0.00 98.64 0.02 54 N E E 65.79 6.32 23.94 30.52 124.64 -172.48 -125.11 139.44 1.68 98.32 0.00 1.37 0.09 0.00 0.00 0.00 0.00 98.52 0.01 55 I E E 57.44 18.49 14.02 31.73 124.13 -160.26 -119.01 133.53 1.30 98.70 0.00 1.21 0.03 0.00 0.00 0.00 0.00 98.74 0.02 56 M E E 69.58 8.16 18.89 28.36 125.22 -173.04 -123.57 139.80 0.83 99.16 0.00 0.74 0.03 0.00 0.00 0.00 0.00 99.20 0.03 57 N E E 82.13 10.04 15.33 26.45 117.93 -146.74 -104.09 127.49 2.69 97.31 0.00 2.30 0.18 0.01 0.00 0.00 0.00 97.43 0.08 58 Y E E 83.40 10.20 13.79 25.51 124.29 -173.05 -120.39 140.05 16.54 83.43 0.03 15.17 0.92 0.08 0.01 0.02 0.00 83.28 0.52 59 K E E 144.70 2.61 16.85 20.46 112.82 -117.63 -83.82 134.82 41.69 58.19 0.11 35.51 4.02 0.63 0.02 0.09 0.00 59.33 0.41 60 G E E 26.54 13.45 9.36 22.53 126.48 -142.01 -94.37 165.54 42.81 57.07 0.11 35.81 5.29 0.80 0.02 0.10 0.00 57.35 0.64 61 K E E 134.44 2.53 16.10 19.45 122.65 -121.68 -111.87 143.85 15.88 84.04 0.08 14.50 1.14 0.16 0.02 0.05 0.00 83.06 1.07 62 S E E 68.09 7.25 10.16 19.12 116.99 -122.08 -83.81 137.22 13.13 86.81 0.06 12.01 0.73 0.12 0.02 0.04 0.00 86.69 0.39 63 K E E 107.75 4.70 11.21 18.00 124.20 -169.40 -123.60 143.23 7.96 91.96 0.07 6.74 0.96 0.18 0.02 0.04 0.00 91.76 0.30 64 R E E 165.82 2.47 9.05 13.65 115.62 -134.49 -96.08 127.70 9.92 90.01 0.06 8.43 1.00 0.18 0.02 0.04 0.00 89.73 0.61 65 V E E 96.08 3.06 7.87 12.93 115.60 -177.46 -124.54 109.28 29.99 69.77 0.24 24.91 3.68 0.94 0.06 0.18 0.00 69.31 0.92 66 G C T 65.63 0.36 10.48 9.46 109.92 -49.79 64.39 -128.00 97.62 1.77 0.61 12.18 26.03 59.35 0.06 0.65 0.00 1.53 0.20 67 R C T 206.95 0.36 9.34 8.64 96.52 -17.75 -89.44 -4.23 97.67 1.67 0.65 12.06 25.99 59.51 0.06 0.72 0.00 1.49 0.19 68 Y E E 141.08 3.07 8.32 13.48 121.42 81.90 -108.81 141.89 27.62 72.17 0.22 19.92 7.52 1.83 0.05 0.21 0.00 68.90 1.57 69 T E E 92.84 3.65 9.60 15.68 122.99 -162.57 -115.24 142.53 16.94 83.00 0.05 14.13 1.72 0.31 0.01 0.04 0.00 83.39 0.40 70 G E E 30.94 4.57 13.92 20.23 138.39 119.04 -170.47 -175.27 10.06 89.90 0.04 7.77 1.83 0.27 0.01 0.03 0.00 89.89 0.21 71 M E E 100.36 7.60 12.10 21.31 122.37 -87.06 -108.20 141.24 7.16 92.83 0.02 6.57 0.40 0.04 0.01 0.01 0.00 90.58 2.39 72 T E E 62.64 7.96 13.51 23.00 123.58 -161.93 -114.32 142.88 46.06 53.89 0.05 42.87 2.03 0.15 0.01 0.04 0.00 54.02 0.88 73 S C C 58.74 8.03 14.08 23.25 114.65 -109.43 -77.82 138.04 67.15 32.79 0.06 58.28 6.22 0.45 0.01 0.07 0.00 34.52 0.44 74 R C C 112.03 9.22 15.31 25.30 114.02 -166.12 -100.93 126.12 68.04 31.89 0.07 55.31 10.27 0.62 0.01 0.08 0.00 33.15 0.57 75 R E E 99.98 11.15 16.86 28.55 125.17 -148.78 -115.86 141.23 18.78 81.20 0.02 16.59 1.53 0.09 0.00 0.02 0.00 81.07 0.70 76 R E E 52.13 15.65 17.08 33.03 127.73 -168.57 -124.69 144.48 3.09 96.91 0.00 2.86 0.13 0.01 0.00 0.00 0.00 96.89 0.11 77 K E E 70.69 12.05 22.32 34.45 123.71 -143.54 -109.78 140.45 1.28 98.71 0.00 1.14 0.05 0.00 0.00 0.00 0.00 98.79 0.02 78 A E E 6.35 22.23 17.69 40.38 128.42 -169.15 -126.01 143.15 0.80 99.20 0.00 0.77 0.01 0.00 0.00 0.00 0.00 99.21 0.01 79 I E E 41.74 11.13 25.09 37.19 117.64 -150.91 -108.91 126.75 0.40 99.60 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.60 0.01 80 V E E 6.68 23.91 18.02 42.38 122.99 -168.79 -116.78 133.97 0.49 99.51 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.51 0.01 81 K E E 87.62 8.39 26.23 35.07 120.18 -156.87 -107.45 132.41 1.71 98.29 0.00 1.68 0.04 0.00 0.00 0.00 0.00 98.21 0.07 82 L E E 12.75 22.86 13.22 36.11 118.19 -142.92 -91.93 140.20 22.57 77.39 0.03 21.51 0.90 0.05 0.01 0.02 0.00 76.50 1.00 83 T C C 44.55 7.08 18.22 26.74 118.56 -121.61 -77.53 156.74 86.72 12.93 0.36 80.76 4.77 0.63 0.08 0.26 0.00 12.67 0.83 84 A C T 77.32 5.07 14.27 21.11 92.15 -105.92 -60.44 -30.03 84.31 1.73 13.96 10.71 18.35 55.55 2.72 10.82 0.01 1.10 0.73 85 D C T 119.02 1.19 16.67 16.99 94.68 54.23 -83.77 -1.49 84.58 1.20 14.22 13.92 14.66 55.85 3.06 11.20 0.01 0.73 0.57 86 S C C 25.63 17.75 8.98 25.56 111.83 101.55 -83.26 130.63 75.94 4.29 19.77 54.12 12.58 8.80 4.19 16.30 0.00 2.58 1.43 87 K C C 130.85 5.26 16.96 23.23 99.13 -160.71 -90.34 -12.49 77.46 7.74 14.80 55.76 14.89 7.14 5.22 9.61 0.01 5.54 1.83 88 E C C 118.05 5.25 17.98 24.21 117.94 50.15 -96.40 134.18 67.54 17.79 14.67 56.21 6.95 4.70 5.56 8.67 0.01 15.21 2.68 89 I C C 37.06 19.20 11.17 29.49 115.83 -164.05 -104.06 124.62 72.56 19.44 8.00 65.67 4.90 2.18 4.05 3.56 0.00 17.26 2.38 90 E C C 112.18 5.16 19.12 25.22 110.04 -151.08 -89.30 114.75 76.07 17.67 6.26 70.85 3.30 2.18 2.91 2.59 0.00 16.45 1.71 91 I C C 59.75 15.23 13.15 27.93 100.59 173.28 -86.51 -23.63 74.56 15.61 9.83 45.39 17.75 12.55 3.42 5.81 0.04 13.12 1.92 92 F C C 94.84 10.00 12.17 22.99 113.83 41.40 -105.06 123.63 73.72 17.15 9.13 42.78 16.24 15.90 3.06 5.58 0.03 13.84 2.57 93 E C C 129.09 3.94 11.35 17.31 112.78 -149.63 -93.35 124.69 86.79 9.21 4.00 79.02 2.25 5.79 1.50 1.82 0.00 8.04 1.58 94 A C C 75.79 4.86 12.10 18.60 113.80 -129.85 -87.55 136.47 99.79 0.19 0.02 99.66 0.12 0.06 0.01 0.00 0.00 0.13 0.01