# 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 117.31 6.05 11.94 19.37 115.50 -169.66 -98.17 130.13 99.90 0.09 0.01 99.88 0.06 0.02 0.00 0.00 0.00 0.04 0.01 1 G C C 46.71 4.14 11.15 16.88 122.43 -161.36 -118.94 172.94 90.86 5.38 3.76 85.87 1.28 4.22 2.13 1.11 0.00 3.48 1.92 2 F C C 153.65 3.03 9.67 14.25 114.08 -110.11 -94.62 132.10 79.13 11.89 8.99 50.54 17.06 11.10 5.55 3.75 0.02 7.32 4.65 3 F C C 127.34 5.87 8.90 16.17 113.34 -153.34 -93.84 128.16 75.73 10.81 13.47 52.16 14.92 8.05 9.30 4.75 0.02 6.82 3.97 4 D C C 87.71 5.04 10.87 17.39 112.76 -144.81 -89.96 129.04 76.17 4.70 19.13 62.35 7.86 5.46 14.84 4.83 0.00 2.77 1.89 5 S H H 69.85 5.24 11.06 17.66 100.06 -137.35 -77.88 -22.67 35.88 1.81 62.32 14.07 7.30 14.28 38.04 24.43 0.14 1.03 0.71 6 D H H 98.71 4.08 12.12 17.57 97.40 62.69 -77.70 -13.76 31.80 1.36 66.85 10.10 5.41 14.91 39.83 28.35 0.11 0.81 0.49 7 L H H 96.54 6.05 11.61 18.93 98.38 61.81 -81.12 -13.89 34.32 1.70 63.98 9.50 6.63 16.91 38.09 26.95 0.24 0.97 0.71 8 S C H 61.94 6.81 12.81 20.73 101.05 60.10 -89.54 -4.69 50.77 4.48 44.75 14.66 16.36 22.09 28.39 13.09 0.80 1.94 2.67 9 Y C S 119.53 7.07 12.22 20.82 114.22 76.49 -107.21 115.70 97.77 1.88 0.34 33.80 63.70 0.65 0.20 0.10 0.00 0.67 0.88 10 P C C 53.89 9.11 10.71 21.37 116.93 -125.63 -70.50 152.94 97.29 2.24 0.48 90.45 6.24 0.49 0.33 0.12 0.00 0.80 1.56 11 T C C 73.89 2.83 14.97 18.22 116.05 -104.66 -72.62 156.31 97.93 1.07 0.99 96.00 1.73 0.27 0.88 0.09 0.00 0.31 0.72 12 V H H 96.83 4.19 11.13 17.07 92.67 -110.23 -58.52 -38.38 5.18 0.06 94.76 2.13 1.03 2.18 93.74 0.88 0.00 0.02 0.02 13 R H H 159.52 1.15 13.80 14.41 92.13 52.54 -65.09 -39.68 3.25 0.07 96.68 1.13 0.45 1.76 95.45 1.15 0.01 0.04 0.01 14 S H H 54.07 2.68 13.28 16.92 92.37 49.30 -65.60 -39.66 2.30 0.09 97.61 0.97 0.31 1.14 96.12 1.38 0.00 0.07 0.01 15 E H H 75.69 5.88 12.00 19.77 92.41 51.36 -64.75 -40.84 1.78 0.07 98.15 0.76 0.23 0.84 97.36 0.75 0.00 0.04 0.01 16 R H H 126.40 3.01 14.52 18.34 92.09 51.10 -64.78 -40.40 2.62 0.08 97.31 0.90 0.27 1.38 96.74 0.65 0.00 0.05 0.01 17 M H H 102.50 1.94 15.35 17.08 92.23 49.98 -65.33 -40.60 4.57 0.08 95.35 1.19 0.46 2.75 94.72 0.81 0.01 0.04 0.02 18 K H H 104.78 3.56 15.13 19.56 92.66 50.35 -66.14 -39.35 9.91 0.13 89.95 2.53 1.16 6.00 89.07 1.11 0.02 0.06 0.06 19 H H H 78.92 6.77 12.87 21.26 93.45 52.10 -67.01 -38.64 22.86 0.40 76.74 8.40 3.01 11.27 74.99 1.95 0.02 0.18 0.18 20 K H H 120.80 3.45 15.15 19.50 93.07 53.92 -66.22 -37.58 30.57 0.93 68.50 15.08 4.00 12.01 64.74 3.31 0.02 0.46 0.38 21 R H H 143.20 3.09 15.06 18.92 93.65 52.30 -68.66 -33.51 33.26 1.39 65.35 15.44 5.47 13.28 59.35 5.16 0.04 0.78 0.49 22 R H H 123.03 6.58 14.14 21.73 95.63 54.81 -74.01 -24.74 41.02 2.44 56.54 21.23 6.71 14.03 49.53 6.16 0.06 1.46 0.81 23 R C H 125.23 6.82 14.83 22.63 101.01 72.95 -78.14 -14.07 49.63 4.44 45.93 27.96 8.24 14.27 39.12 6.20 0.07 2.77 1.37 24 L C C 84.41 8.06 14.32 23.25 102.16 75.20 -79.53 -11.20 55.22 8.27 36.51 32.77 11.12 12.51 29.93 5.92 0.11 4.72 2.92 25 V C C 72.42 9.00 12.43 22.38 108.48 82.05 -90.27 76.76 68.54 5.93 25.53 39.26 13.48 15.64 21.56 4.52 0.06 3.29 2.19 26 Q C C 121.71 4.07 14.09 19.37 104.41 56.87 -87.41 19.22 83.47 3.21 13.32 41.77 21.48 20.45 8.95 4.24 0.02 1.70 1.39 27 G C C 30.55 6.70 13.38 21.47 129.55 46.18 -134.94 168.29 96.02 2.38 1.59 50.33 42.29 3.45 0.63 0.80 0.00 0.92 1.57 28 P C T 100.00 3.70 13.99 18.86 98.74 -73.23 -68.84 -17.14 96.16 0.47 3.37 7.94 11.86 75.99 0.32 3.39 0.00 0.29 0.22 29 N C T 104.76 4.85 15.31 21.32 101.13 42.22 -90.74 19.59 96.49 1.17 2.33 10.20 11.43 74.57 0.23 2.42 0.00 0.85 0.30 30 S C C 31.95 13.96 12.65 27.23 120.70 117.00 -98.63 142.70 81.92 15.69 2.39 62.51 14.31 4.87 0.41 2.32 0.00 13.19 2.38 31 Y C C 92.62 10.04 19.02 29.60 125.95 -168.71 -121.47 143.12 63.45 36.03 0.51 46.45 14.95 1.86 0.10 0.48 0.00 34.65 1.51 32 F E E 75.19 14.72 16.96 31.39 123.90 -140.33 -110.42 137.31 18.45 81.43 0.12 16.13 1.59 0.23 0.03 0.10 0.00 81.05 0.86 33 M E E 50.24 13.15 18.00 31.78 125.84 -169.49 -121.64 142.26 5.16 94.82 0.02 4.49 0.49 0.04 0.00 0.02 0.00 94.72 0.24 34 D E E 80.95 8.25 20.79 29.31 111.61 -127.52 -87.99 120.01 2.52 97.47 0.01 2.12 0.27 0.02 0.00 0.01 0.00 97.53 0.04 35 V E E 23.50 18.08 14.87 33.20 125.36 -173.89 -123.06 137.53 3.22 96.78 0.01 2.92 0.15 0.01 0.00 0.01 0.00 96.80 0.11 36 K E E 117.89 5.04 21.81 27.51 116.76 -137.05 -96.84 131.00 9.70 90.29 0.02 8.83 0.51 0.03 0.00 0.01 0.00 89.03 1.59 37 C C C 13.73 20.22 10.30 30.22 113.13 -130.95 -81.84 129.39 92.63 7.35 0.02 91.60 1.32 0.11 0.00 0.02 0.00 6.53 0.41 38 P C T 84.93 5.11 16.92 22.92 108.70 -108.42 -62.60 135.23 97.64 0.59 1.78 1.32 8.24 87.78 0.05 2.08 0.00 0.43 0.11 39 G C T 59.06 1.86 16.16 17.80 96.04 16.85 84.47 -2.80 97.76 0.53 1.71 0.69 8.06 88.86 0.04 1.91 0.00 0.36 0.09 40 C C S 37.33 13.15 9.28 22.65 129.06 74.93 -128.00 157.61 84.76 11.85 3.40 34.52 35.21 15.33 0.32 3.64 0.01 6.86 4.10 41 N C S 126.86 1.80 15.88 17.90 95.92 -136.18 -82.55 -5.40 91.71 7.75 0.53 29.72 54.45 7.72 0.06 0.56 0.00 6.63 0.86 42 A C C 57.64 5.71 15.68 22.60 121.47 99.42 -90.89 149.68 75.51 24.20 0.29 38.48 35.47 2.30 0.04 0.28 0.00 22.35 1.08 43 I E E 72.39 12.62 14.71 27.74 116.71 -131.57 -97.98 130.29 36.42 63.56 0.02 34.67 1.04 0.06 0.01 0.01 0.00 63.83 0.37 44 T E E 40.46 12.56 17.76 31.09 123.85 -171.83 -117.52 142.93 3.30 96.70 0.01 2.97 0.14 0.01 0.00 0.00 0.00 96.81 0.07 45 I E E 62.16 12.47 20.32 33.14 119.80 -139.89 -106.22 131.48 0.43 99.57 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.58 0.01 46 V E E 26.09 17.07 18.44 35.88 120.57 -165.48 -113.00 129.87 1.45 98.54 0.00 1.31 0.04 0.00 0.00 0.00 0.00 98.61 0.03 47 Y E E 64.91 13.00 19.77 33.26 119.76 -159.21 -110.14 131.61 10.79 89.14 0.07 9.45 0.79 0.13 0.02 0.04 0.00 89.22 0.35 48 S C E 37.75 13.03 16.93 30.27 119.44 -172.27 -115.17 149.35 54.20 44.06 1.75 28.23 17.63 9.16 0.21 1.50 0.00 42.48 0.79 49 H C S 111.82 7.03 18.96 26.28 102.62 -58.45 -82.98 43.58 80.95 16.00 3.05 29.82 31.07 20.75 0.34 2.82 0.00 13.78 1.42 50 A C C 40.24 12.69 13.88 26.93 115.29 101.90 -94.58 140.04 89.50 6.13 4.37 32.70 31.55 25.54 0.43 4.26 0.00 4.50 1.02 51 T C S 82.70 6.93 17.96 25.50 103.98 -126.44 -92.51 32.48 87.39 10.02 2.58 29.40 33.17 24.91 0.23 2.59 0.00 8.89 0.80 52 S C E 41.51 11.09 17.93 29.55 126.45 101.01 -117.53 152.67 54.36 44.21 1.43 28.98 20.57 5.18 0.15 1.37 0.00 42.82 0.92 53 E E E 66.78 12.25 21.18 33.52 118.94 -111.36 -97.26 136.99 14.11 85.76 0.12 12.77 0.92 0.12 0.03 0.07 0.00 85.60 0.49 54 V E E 9.67 22.04 18.00 40.26 121.12 -159.42 -113.52 131.05 3.71 96.25 0.05 3.28 0.29 0.04 0.02 0.02 0.00 96.13 0.23 55 Q E E 63.14 10.19 24.64 35.14 122.08 -158.49 -109.26 137.40 4.94 95.00 0.06 4.57 0.34 0.05 0.03 0.03 0.00 93.80 1.20 56 C C C 10.13 20.87 13.41 34.70 113.56 -117.16 -74.25 137.73 55.54 44.34 0.12 53.28 1.39 0.20 0.03 0.08 0.00 43.25 1.78 57 N C T 83.34 9.13 18.37 27.85 105.61 -113.85 -66.87 121.83 97.58 1.20 1.22 1.53 10.65 85.33 0.05 1.30 0.00 0.91 0.23 58 G C T 54.03 3.06 18.03 21.45 98.60 21.37 81.88 -4.98 98.45 0.50 1.06 0.73 9.59 88.07 0.03 1.12 0.00 0.33 0.13 59 C C T 50.29 11.21 12.54 24.16 117.72 38.73 -119.40 132.50 95.99 2.58 1.42 10.06 25.32 60.43 0.08 1.74 0.00 1.68 0.68 60 A C C 84.09 3.44 17.83 22.23 94.67 -139.35 -73.00 2.03 96.26 3.26 0.48 57.54 28.81 9.81 0.08 0.51 0.00 2.56 0.69 61 T C C 60.02 8.00 17.41 26.71 118.19 118.95 -83.21 141.19 79.68 20.12 0.20 54.50 23.96 1.35 0.03 0.20 0.00 18.15 1.81 62 K E E 85.72 12.37 19.30 31.80 110.35 -117.47 -77.17 126.28 5.42 94.57 0.02 5.23 0.24 0.02 0.01 0.01 0.00 90.93 3.57 63 L E E 14.39 20.64 19.14 39.94 99.19 176.88 -91.25 -28.10 11.15 88.84 0.01 5.29 5.64 0.12 0.00 0.01 0.00 88.86 0.07 64 C E E 7.21 21.91 17.31 39.62 139.10 8.25 -148.96 151.89 1.00 99.00 0.00 0.79 0.09 0.00 0.00 0.00 0.00 99.09 0.02 65 R E E 113.89 6.35 24.03 31.14 126.30 -162.86 -128.73 139.33 0.69 99.31 0.00 0.63 0.01 0.00 0.00 0.00 0.00 99.34 0.01 66 P E E 51.69 16.00 12.24 27.83 113.30 -111.34 -69.36 138.73 3.13 96.87 0.00 2.87 0.08 0.00 0.00 0.00 0.00 96.99 0.05 67 T E E 74.78 5.18 13.80 20.93 121.93 172.87 -135.81 123.91 12.09 87.74 0.17 8.91 2.83 0.72 0.04 0.16 0.00 85.48 1.86 68 G C T 67.93 0.53 14.35 13.01 94.16 -16.81 57.63 32.09 99.28 0.33 0.39 0.42 9.86 88.98 0.00 0.47 0.00 0.22 0.04 69 G C T 51.67 5.05 13.08 19.29 94.75 -48.07 82.20 2.57 99.49 0.13 0.38 0.56 10.43 88.44 0.00 0.45 0.00 0.09 0.02 70 K E E 111.48 3.92 18.23 23.48 128.85 94.04 -120.28 147.04 9.94 90.02 0.04 6.73 3.19 0.37 0.01 0.03 0.00 88.86 0.81 71 A E E 18.88 20.70 12.02 32.34 115.52 -122.69 -82.04 135.25 4.18 95.81 0.01 3.78 0.14 0.01 0.00 0.00 0.00 96.01 0.07 72 M E E 82.23 6.38 23.48 30.29 127.01 -172.94 -125.19 144.03 2.60 97.40 0.00 2.35 0.10 0.01 0.00 0.00 0.00 97.46 0.08 73 L E E 59.08 17.05 14.02 30.45 113.40 -113.08 -76.39 134.91 9.05 90.91 0.04 8.69 0.34 0.03 0.02 0.02 0.00 88.95 1.95 74 T C C 49.04 10.58 14.65 26.37 118.51 -146.79 -89.73 152.38 80.40 18.97 0.63 73.01 5.03 1.31 0.11 0.57 0.00 18.90 1.08 75 T C T 113.33 1.76 16.23 18.35 110.40 -88.19 -66.30 137.84 85.76 12.17 2.07 9.08 17.92 59.30 0.19 2.07 0.00 10.24 1.18 76 G C T 57.10 2.03 16.84 19.03 96.70 21.32 84.29 -1.59 90.92 7.33 1.76 15.51 17.91 57.57 0.17 1.80 0.00 6.38 0.66 77 C C C 30.65 18.18 9.96 27.17 115.92 128.40 -86.27 138.55 87.10 11.21 1.70 72.76 10.87 3.13 0.36 1.58 0.00 8.74 2.56 78 G C C 34.69 7.99 18.45 27.14 126.69 -163.80 -116.69 153.27 75.04 23.27 1.69 58.30 12.02 3.64 0.57 1.35 0.00 17.60 6.50 79 F C C 83.08 14.88 13.79 28.32 126.69 -163.86 -121.02 144.19 68.90 28.54 2.56 52.36 12.19 3.77 0.89 1.92 0.00 24.08 4.79 80 R C C 125.78 6.60 16.03 24.08 123.48 -158.98 -117.44 141.45 64.25 33.30 2.45 54.94 5.83 1.97 1.19 1.45 0.00 27.23 7.39 81 K C C 110.94 7.93 12.30 21.59 117.00 -128.02 -85.84 140.40 66.14 26.60 7.26 55.74 5.64 3.40 3.66 3.92 0.01 19.73 7.89 82 K C C 120.61 5.96 10.10 17.62 108.25 -112.37 -75.19 139.91 73.64 4.39 21.97 47.45 13.52 12.31 4.41 18.24 0.00 3.02 1.04 83 A C C 84.21 2.51 9.12 13.23 105.59 -113.73 -78.51 95.24 74.96 2.18 22.86 37.12 16.23 21.02 3.64 19.95 0.00 1.24 0.79 84 D C C 113.36 2.14 8.59 12.32 104.87 61.14 -89.00 60.35 80.81 1.24 17.95 64.14 3.11 14.30 3.78 13.42 0.00 0.74 0.51 85 H C C 131.57 4.13 9.34 15.25 106.14 99.61 -90.95 59.55 99.78 0.05 0.17 99.44 0.18 0.24 0.08 0.02 0.00 0.02 0.01