# 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 100.64 6.82 12.60 20.79 118.53 -158.17 -104.66 135.94 99.92 0.08 0.00 99.88 0.07 0.01 0.00 0.00 0.00 0.03 0.01 1 P C C 91.64 3.81 11.83 17.13 113.22 -108.88 -68.33 147.10 86.76 5.43 7.81 82.77 0.93 3.66 5.62 1.54 0.00 2.87 2.61 2 L C C 98.49 7.07 8.82 17.13 109.81 -118.35 -78.51 130.68 80.73 5.19 14.08 62.08 11.07 6.77 10.85 3.71 0.00 2.36 3.16 3 A C C 57.76 5.96 10.64 18.12 107.85 -107.24 -77.20 128.52 75.31 3.20 21.48 64.41 6.57 4.45 16.36 5.01 0.00 1.46 1.75 4 K H H 132.79 3.80 12.00 17.30 96.61 -129.82 -69.68 -31.71 23.46 1.12 75.42 8.19 4.58 10.19 47.03 28.87 0.10 0.67 0.37 5 D H H 94.96 4.21 12.32 18.00 95.03 57.77 -73.50 -17.24 20.09 0.91 79.00 5.78 3.02 9.89 48.13 32.31 0.05 0.59 0.25 6 L H H 83.06 8.09 12.15 21.23 96.03 57.80 -80.01 -15.95 22.32 1.05 76.63 5.69 3.75 11.56 46.14 31.81 0.09 0.63 0.34 7 L H H 81.84 8.32 12.94 22.22 99.03 58.84 -87.33 -9.30 44.81 3.98 51.22 12.89 15.05 19.95 34.86 12.25 0.82 1.60 2.59 8 H C S 109.14 5.70 13.58 20.75 113.26 66.49 -106.85 107.28 98.15 1.64 0.21 34.42 63.47 0.62 0.11 0.07 0.00 0.62 0.69 9 P C C 52.12 9.97 9.90 21.26 117.49 -138.45 -71.39 152.29 97.70 2.14 0.16 92.16 5.06 0.25 0.10 0.05 0.00 0.61 1.78 10 L C C 88.10 3.00 13.74 17.66 116.17 -104.74 -70.87 155.82 99.50 0.29 0.20 98.10 1.34 0.07 0.17 0.02 0.00 0.07 0.22 11 P H H 96.67 2.59 11.34 15.32 92.51 -106.30 -56.96 -39.65 5.53 0.04 94.44 1.68 0.80 3.01 92.35 2.12 0.01 0.02 0.01 12 A H H 73.05 1.30 12.75 13.78 92.05 51.84 -64.71 -39.17 4.05 0.08 95.87 1.21 0.49 2.46 93.03 2.73 0.01 0.05 0.02 13 E H H 94.25 2.85 12.29 16.37 92.64 49.72 -66.06 -39.53 2.40 0.14 97.47 1.03 0.36 1.18 94.54 2.76 0.01 0.12 0.02 14 E H H 83.39 4.81 11.52 18.18 92.20 51.90 -64.51 -40.49 2.58 0.12 97.31 1.15 0.37 1.20 95.81 1.36 0.01 0.08 0.02 15 K H H 122.33 2.02 14.03 16.39 91.95 50.92 -64.75 -39.77 4.80 0.15 95.05 1.42 0.50 2.86 93.61 1.48 0.01 0.10 0.03 16 R H H 140.59 1.92 14.53 16.56 92.89 49.84 -66.08 -38.51 8.93 0.14 90.94 1.79 0.84 5.96 89.65 1.63 0.02 0.07 0.04 17 K H H 109.09 4.28 14.32 19.76 93.16 51.73 -67.43 -36.77 20.94 0.34 78.72 5.83 2.88 11.93 77.03 2.00 0.03 0.15 0.15 18 H H H 90.77 5.94 13.62 20.92 95.58 53.64 -70.04 -32.37 42.86 1.57 55.57 21.01 6.10 15.73 52.91 2.84 0.03 0.78 0.60 19 K C H 112.33 4.19 15.81 21.01 95.12 64.93 -67.61 -35.60 48.53 3.67 47.80 31.01 6.38 11.19 43.89 4.22 0.02 2.15 1.14 20 L H H 76.73 8.40 14.53 23.93 95.87 58.03 -70.83 -31.81 42.95 4.83 52.22 26.82 6.79 9.94 44.38 7.51 0.04 3.29 1.23 21 K H H 107.51 7.18 16.05 24.01 96.92 63.24 -71.52 -31.38 43.16 6.70 50.13 25.51 7.31 10.95 40.27 9.38 0.08 4.99 1.50 22 R H H 119.62 6.45 17.32 24.41 99.53 56.32 -76.30 -20.88 43.78 10.90 45.32 24.44 8.43 11.97 34.51 10.06 0.16 8.23 2.19 23 L C H 56.03 12.30 15.15 27.91 97.51 59.14 -76.73 -25.72 46.31 15.50 38.19 26.64 10.86 10.85 28.76 8.16 0.29 10.36 4.08 24 V C C 52.67 12.66 12.74 25.88 107.22 68.66 -87.75 57.09 62.94 9.98 27.08 36.07 13.03 14.35 21.39 5.64 0.12 6.55 2.85 25 Q C C 121.06 3.64 16.12 20.59 96.95 68.33 -78.56 -22.58 81.44 3.77 14.78 38.35 23.66 19.83 9.65 4.91 0.02 2.18 1.40 26 H C C 94.01 5.81 13.71 21.12 116.66 48.05 -117.88 117.92 96.77 2.16 1.08 51.29 43.65 1.95 0.52 0.44 0.00 0.86 1.30 27 P C T 88.19 6.72 12.88 21.06 95.61 -150.59 -65.36 -20.24 96.32 0.55 3.14 8.88 8.45 78.84 0.37 2.91 0.00 0.33 0.23 28 N C T 108.69 3.94 15.99 20.91 97.32 53.35 -87.80 6.59 96.58 0.85 2.57 7.95 8.76 79.66 0.26 2.53 0.00 0.60 0.24 29 S C C 32.16 13.33 12.71 26.89 118.01 113.49 -88.75 141.42 86.62 10.07 3.32 64.53 16.08 5.52 0.54 3.26 0.00 7.76 2.30 30 Y C C 104.13 9.67 18.71 28.76 117.88 -160.96 -110.80 133.30 78.42 20.50 1.09 46.22 28.30 4.36 0.21 0.98 0.00 18.08 1.85 31 F E E 64.04 15.73 16.00 31.39 119.58 -110.08 -100.54 134.37 32.92 66.59 0.50 26.48 5.23 1.23 0.10 0.43 0.00 65.15 1.37 32 M E E 63.03 11.98 18.54 30.95 119.11 -169.53 -114.46 139.04 12.80 87.02 0.18 9.98 2.61 0.40 0.04 0.14 0.00 86.46 0.38 33 D E E 82.02 8.05 20.84 29.00 107.74 -16.90 -77.25 96.57 4.15 95.78 0.08 3.40 0.59 0.14 0.01 0.06 0.00 95.70 0.10 34 V E E 25.39 18.03 14.93 33.12 122.95 174.80 -118.43 134.76 4.21 95.77 0.02 3.86 0.20 0.02 0.00 0.01 0.00 95.71 0.19 35 K E E 116.97 5.46 21.76 28.06 117.54 -143.27 -99.71 128.35 12.06 87.91 0.03 10.80 0.71 0.06 0.01 0.02 0.00 86.51 1.89 36 C C C 14.47 20.21 10.79 30.62 114.99 -136.30 -88.94 132.52 92.45 7.52 0.03 91.03 1.51 0.12 0.00 0.02 0.00 6.90 0.41 37 P C T 84.67 5.08 17.37 23.27 109.38 -103.11 -61.28 135.34 98.14 0.78 1.08 0.96 6.82 90.29 0.03 1.20 0.00 0.59 0.11 38 G C T 56.99 2.19 16.57 18.86 95.33 16.80 85.61 -2.74 98.49 0.65 0.86 0.58 6.82 91.07 0.02 0.96 0.00 0.48 0.07 39 C C C 33.39 14.45 8.93 23.36 129.04 85.44 -119.78 153.54 75.97 22.83 1.19 52.89 20.17 3.60 0.23 1.26 0.00 16.19 5.65 40 Y C S 173.70 2.28 15.90 18.72 96.90 -146.47 -83.69 -12.80 80.59 19.15 0.26 23.65 52.61 4.36 0.03 0.27 0.00 18.13 0.95 41 R C E 134.63 4.04 16.96 22.18 121.09 76.57 -106.08 143.19 57.70 42.05 0.25 28.84 26.95 2.60 0.03 0.23 0.00 40.63 0.72 42 I E E 67.86 15.40 13.04 28.10 120.46 -149.69 -109.86 131.62 26.91 73.03 0.06 25.20 1.00 0.11 0.02 0.04 0.00 73.36 0.28 43 T E E 49.71 9.84 18.87 29.68 126.31 -171.50 -122.36 143.24 2.97 96.93 0.10 2.65 0.19 0.05 0.04 0.04 0.00 96.92 0.12 44 T E E 56.00 13.15 18.18 31.40 117.05 -132.57 -94.70 131.22 1.48 98.45 0.06 1.33 0.06 0.01 0.02 0.02 0.00 98.49 0.06 45 V E E 36.73 14.72 18.59 33.59 114.37 -168.33 -105.62 120.98 5.68 94.20 0.13 4.43 0.92 0.12 0.03 0.06 0.00 94.31 0.12 46 F E E 60.66 13.77 18.70 32.58 121.15 -106.07 -119.32 134.01 18.64 80.76 0.60 14.67 3.47 0.88 0.18 0.35 0.00 79.69 0.76 47 S C E 41.79 12.80 16.89 29.89 119.67 -173.77 -117.39 144.35 54.74 42.94 2.32 34.85 14.23 6.55 0.41 1.82 0.00 41.08 1.06 48 H C C 102.16 8.12 18.79 27.12 105.89 -138.82 -90.52 53.15 79.05 16.32 4.63 28.46 28.04 23.75 0.60 3.89 0.01 13.65 1.61 49 A C T 45.94 11.74 15.53 27.50 110.78 71.05 -91.16 117.95 88.03 6.79 5.18 22.90 31.61 33.95 0.53 4.69 0.00 5.30 1.01 50 Q C S 102.99 7.59 18.75 26.77 111.90 -117.81 -96.51 114.40 79.73 17.15 3.12 24.49 28.60 27.08 0.27 2.88 0.00 15.60 1.07 51 G E E 17.71 13.15 18.95 32.32 135.24 116.58 -144.41 170.30 40.19 58.93 0.89 25.68 11.57 3.68 0.12 0.82 0.00 57.47 0.66 52 V E E 40.27 13.47 22.28 36.10 122.22 -108.24 -110.75 135.19 8.32 91.63 0.05 7.50 0.51 0.05 0.01 0.02 0.00 91.65 0.25 53 V E E 8.27 22.25 19.78 42.27 119.62 -159.08 -110.12 128.44 2.13 97.85 0.01 1.87 0.13 0.01 0.00 0.00 0.00 97.90 0.08 54 V E E 37.15 11.72 24.69 37.10 121.51 -161.36 -112.56 133.59 2.28 97.70 0.02 2.13 0.14 0.02 0.01 0.01 0.00 97.36 0.34 55 C E E 9.98 20.16 14.63 35.49 112.10 -122.70 -73.65 132.35 36.23 63.68 0.09 34.89 0.87 0.15 0.02 0.06 0.00 62.73 1.27 56 A C T 53.29 10.28 18.23 28.91 102.41 -123.57 -66.06 90.84 97.02 1.50 1.48 1.51 7.58 87.89 0.05 1.56 0.00 1.19 0.22 57 G C T 54.45 2.84 18.45 21.56 98.05 24.43 77.43 -9.22 98.18 0.56 1.27 0.79 7.24 90.11 0.03 1.32 0.00 0.38 0.13 58 C C T 52.62 10.38 13.17 24.10 109.74 31.46 -112.81 -1.29 96.93 1.65 1.42 7.40 19.42 69.86 0.07 1.75 0.00 1.09 0.41 59 A C C 81.33 4.12 17.73 23.01 94.91 -134.97 -53.98 4.75 96.81 2.73 0.47 56.61 22.91 17.15 0.07 0.50 0.00 2.29 0.47 60 T C C 58.48 8.16 17.94 27.33 118.14 127.57 -84.36 140.78 68.59 31.25 0.15 52.57 15.09 0.90 0.02 0.16 0.00 29.34 1.92 61 I E E 64.07 13.51 18.98 32.73 110.14 -120.22 -79.88 123.84 2.74 97.25 0.01 2.79 0.10 0.01 0.00 0.00 0.00 96.14 0.95 62 L E E 16.67 19.71 19.94 39.81 99.29 176.38 -93.10 -27.89 5.18 94.82 0.01 2.71 2.08 0.08 0.00 0.00 0.00 95.08 0.03 63 C E E 7.47 21.45 18.06 39.92 139.84 8.11 -150.20 152.10 0.56 99.44 0.00 0.45 0.05 0.00 0.00 0.00 0.00 99.48 0.01 64 Q E E 80.89 7.70 24.17 32.44 126.27 -161.30 -129.46 138.90 0.62 99.37 0.00 0.58 0.01 0.00 0.00 0.00 0.00 99.40 0.01 65 P E E 45.96 16.73 12.41 28.73 113.39 -112.40 -70.24 138.16 3.07 96.93 0.00 2.81 0.09 0.01 0.00 0.00 0.00 97.04 0.06 66 T E E 74.97 5.10 14.36 21.33 121.33 172.99 -135.78 123.22 14.34 85.44 0.22 10.78 3.19 0.85 0.05 0.21 0.00 82.99 1.93 67 G C T 67.64 0.56 14.57 13.35 94.45 -16.04 58.12 31.57 99.17 0.34 0.48 0.48 10.88 87.77 0.01 0.58 0.00 0.23 0.05 68 G C T 51.59 5.27 13.18 19.57 94.73 -48.50 81.95 2.19 99.40 0.14 0.46 0.63 11.62 87.08 0.01 0.55 0.00 0.09 0.02 69 R E E 131.45 3.38 18.44 23.03 127.33 93.75 -119.39 145.86 11.76 88.17 0.07 7.78 4.15 0.48 0.02 0.05 0.00 86.28 1.23 70 A E E 19.15 20.92 11.52 31.88 116.01 -124.67 -83.14 135.53 5.73 94.26 0.01 5.22 0.23 0.02 0.00 0.01 0.00 94.42 0.10 71 K E E 98.17 5.26 23.82 29.61 127.59 -171.42 -127.06 144.28 3.64 96.35 0.01 3.30 0.19 0.02 0.00 0.00 0.00 96.38 0.10 72 L E E 61.48 16.99 13.50 29.79 113.20 -112.60 -75.54 134.90 10.11 89.82 0.06 9.89 0.39 0.05 0.03 0.03 0.00 87.85 1.77 73 T C C 52.95 9.91 14.53 25.62 117.49 -142.73 -89.65 152.31 81.61 17.03 1.36 73.38 5.11 2.16 0.21 1.29 0.00 16.72 1.12 74 E C T 155.39 1.61 15.70 17.60 110.17 -83.32 -65.75 136.52 85.83 11.45 2.72 7.24 16.30 62.73 0.26 2.70 0.00 9.62 1.15 75 G C T 57.93 1.83 16.28 18.15 96.88 20.83 84.12 -2.22 90.54 7.07 2.40 12.90 16.36 61.27 0.22 2.45 0.00 6.18 0.62 76 C C C 31.64 18.04 9.14 26.04 114.93 133.01 -84.01 135.80 87.38 10.43 2.19 73.08 10.78 3.11 0.44 2.08 0.00 8.01 2.50 77 S C C 62.54 6.09 18.37 25.16 120.03 -163.71 -111.26 142.72 78.10 19.89 2.01 60.56 12.71 4.06 0.56 1.73 0.00 14.91 5.46 78 F C C 86.76 14.54 12.09 26.18 119.44 -158.90 -107.78 135.56 72.65 25.44 1.91 53.49 14.90 4.27 0.43 1.76 0.00 21.82 3.33 79 R C C 139.83 4.43 15.35 21.33 122.43 -160.73 -108.05 140.47 63.16 35.62 1.22 54.60 5.54 1.72 0.40 0.99 0.00 28.84 7.91 80 R C C 146.56 6.42 10.87 19.24 115.62 -128.99 -89.03 136.62 67.26 31.91 0.82 58.41 6.07 1.17 0.36 0.56 0.00 21.58 11.84 81 K C C 119.32 5.54 8.94 16.34 117.32 -127.68 -90.01 139.40 93.23 6.48 0.29 81.16 11.19 0.90 0.09 0.23 0.00 5.06 1.38 82 P C C 113.81 1.70 9.70 12.84 109.62 -107.05 -69.65 141.94 97.42 2.02 0.56 93.47 1.62 2.52 0.15 0.30 0.00 1.46 0.48 83 Q C C 134.60 3.00 9.91 14.70 108.25 -112.03 -83.95 97.18 99.93 0.05 0.01 99.72 0.14 0.10 0.00 0.00 0.00 0.02 0.01