# 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 82.00 11.32 17.59 28.96 115.63 -161.44 -93.49 131.07 99.88 0.11 0.00 99.87 0.05 0.01 0.00 0.00 0.00 0.06 0.00 1 A C C 37.42 12.07 17.48 30.05 122.09 -159.95 -108.55 145.24 67.82 32.12 0.06 66.90 0.52 0.14 0.01 0.03 0.00 31.73 0.66 2 V E E 20.53 19.65 15.63 35.12 122.79 -149.33 -113.51 136.40 13.62 86.36 0.03 12.44 0.80 0.05 0.01 0.02 0.00 86.35 0.33 3 K E E 77.80 9.43 24.17 33.88 120.11 -155.81 -109.57 131.55 3.62 96.37 0.01 3.24 0.29 0.02 0.00 0.00 0.00 96.38 0.07 4 I E E 10.22 24.14 16.75 41.13 120.46 -161.06 -111.34 129.99 1.45 98.55 0.00 1.35 0.05 0.00 0.00 0.00 0.00 98.58 0.02 5 R E E 77.52 9.45 25.73 35.52 122.15 -168.87 -118.09 135.26 0.87 99.13 0.00 0.79 0.02 0.00 0.00 0.00 0.00 99.17 0.01 6 L E E 18.30 23.10 16.21 38.85 122.27 -160.64 -111.00 134.92 1.01 98.99 0.00 0.92 0.02 0.00 0.00 0.00 0.00 99.05 0.01 7 K E E 84.71 7.87 23.47 31.83 128.92 -174.59 -128.49 145.36 0.55 99.44 0.00 0.51 0.02 0.00 0.00 0.00 0.00 99.46 0.01 8 R E E 106.23 13.28 16.08 29.27 114.09 -116.58 -78.53 132.44 1.24 98.76 0.00 1.16 0.03 0.00 0.00 0.00 0.00 98.76 0.04 9 I E E 63.52 9.98 15.95 27.11 128.04 -177.25 -127.13 152.08 13.76 86.22 0.02 12.16 0.99 0.08 0.00 0.01 0.00 86.49 0.26 10 G E E 36.08 4.37 15.32 21.22 130.82 30.27 118.69 -172.15 44.51 55.41 0.08 29.51 14.79 0.97 0.01 0.09 0.00 53.88 0.76 11 S C C 63.19 4.33 13.14 18.96 126.36 -62.50 -118.24 161.52 72.97 26.77 0.26 59.81 11.92 1.20 0.06 0.25 0.00 23.88 2.87 12 K C S 159.32 2.40 11.10 14.99 97.11 -91.55 -64.64 -26.64 98.64 0.63 0.72 2.80 59.41 36.59 0.03 0.63 0.00 0.38 0.14 13 K C S 173.65 0.74 13.75 13.23 96.37 29.58 -79.80 -14.06 98.90 0.42 0.68 2.81 59.42 36.75 0.02 0.63 0.00 0.26 0.09 14 K C S 106.37 5.09 13.66 20.26 113.53 33.93 -129.24 89.03 77.79 21.93 0.29 20.32 55.06 2.66 0.03 0.29 0.00 20.37 1.26 15 P C C 38.88 12.98 13.58 27.81 115.52 -152.22 -70.73 143.59 61.84 38.12 0.04 56.94 2.11 0.21 0.01 0.04 0.00 40.36 0.33 16 F E E 41.10 12.72 19.45 33.44 129.74 -170.42 -127.65 148.94 3.38 96.62 0.00 2.93 0.21 0.01 0.00 0.00 0.00 96.73 0.12 17 Y E E 33.90 18.64 19.40 37.79 126.94 -156.10 -119.73 142.55 0.37 99.63 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.00 18 R E E 50.55 15.20 24.51 39.32 130.02 -171.27 -129.86 143.73 0.20 99.80 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 19 I E E 9.57 22.86 21.68 44.69 117.86 -143.64 -106.65 127.88 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 20 V E E 11.58 18.79 25.35 43.97 124.58 -169.00 -118.56 137.20 0.13 99.87 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 21 V E E 11.28 20.86 24.18 44.73 119.35 -154.07 -109.37 129.96 0.73 99.27 0.00 0.69 0.01 0.00 0.00 0.00 0.00 99.28 0.01 22 A E E 9.45 17.53 20.47 38.52 133.43 173.26 -131.83 154.17 6.00 93.99 0.00 5.66 0.15 0.00 0.00 0.00 0.00 93.92 0.26 23 D E E 36.06 10.84 19.63 31.55 115.08 -105.15 -72.69 149.86 29.20 70.75 0.05 27.33 1.56 0.13 0.02 0.04 0.00 69.51 1.41 24 S C T 60.88 10.38 15.48 26.70 91.57 -117.93 -64.67 -23.37 98.71 0.73 0.56 0.70 12.20 85.98 0.02 0.49 0.00 0.50 0.12 25 R C T 170.92 1.65 18.03 19.07 94.43 60.64 -84.18 -10.31 98.89 0.59 0.52 0.95 12.48 85.54 0.02 0.49 0.00 0.42 0.10 26 F C S 73.43 11.02 10.62 22.61 116.77 63.52 -111.54 119.05 96.59 3.18 0.23 19.31 77.07 0.53 0.07 0.11 0.00 1.00 1.92 27 P C C 61.85 6.21 13.52 21.33 114.70 -125.93 -66.69 153.65 97.21 1.77 1.03 93.54 1.93 1.81 0.21 0.75 0.00 0.87 0.89 28 R C T 147.99 7.55 11.12 20.09 92.99 -107.93 -62.21 -27.17 92.98 1.00 6.03 6.45 15.02 69.95 0.38 7.07 0.00 0.55 0.59 29 D C T 117.27 1.38 15.29 16.30 95.28 55.64 -84.01 1.70 92.17 0.54 7.29 2.96 12.68 75.16 0.37 8.22 0.00 0.29 0.32 30 G C S 37.56 9.78 12.73 23.14 99.57 -105.06 83.48 5.64 93.12 1.68 5.20 30.49 49.80 11.90 0.40 5.69 0.00 0.84 0.87 31 R C C 123.97 5.26 17.55 23.94 111.94 128.48 -84.48 129.80 95.14 4.35 0.52 79.14 13.87 2.05 0.10 0.53 0.00 2.85 1.47 32 S C C 39.17 15.29 13.57 28.54 115.17 -121.53 -82.05 134.89 59.37 40.35 0.28 56.01 2.77 0.43 0.08 0.23 0.00 34.71 5.78 33 I C E 65.83 12.53 17.73 30.47 100.85 -167.00 -92.65 -31.00 54.21 45.72 0.07 29.95 24.01 0.61 0.01 0.07 0.00 44.99 0.38 34 E E E 73.51 9.61 21.11 31.11 135.13 -2.00 -144.21 145.78 7.54 92.39 0.07 6.12 1.32 0.15 0.01 0.06 0.00 92.05 0.30 35 T E E 67.12 12.51 19.50 31.80 111.72 -126.40 -87.25 122.98 2.06 97.93 0.01 2.21 0.05 0.01 0.00 0.01 0.00 97.58 0.14 36 I E E 23.62 18.97 17.97 37.04 101.17 176.18 -99.33 -21.54 4.31 95.66 0.03 3.20 0.99 0.16 0.00 0.02 0.00 95.55 0.07 37 G E E 8.86 12.18 22.17 35.67 144.51 -49.37 161.62 177.55 3.30 96.68 0.03 2.25 0.84 0.16 0.00 0.02 0.00 96.69 0.04 38 T E E 43.83 13.48 21.41 35.18 133.64 -100.50 -136.09 151.49 2.96 97.02 0.02 2.66 0.25 0.03 0.00 0.01 0.00 96.86 0.18 39 Y E E 46.21 16.85 17.16 34.28 124.20 -153.60 -119.54 136.42 8.81 91.16 0.03 7.88 0.74 0.05 0.02 0.02 0.00 88.97 2.33 40 N C C 47.95 8.81 18.14 28.76 110.87 -159.07 -113.01 105.37 76.38 23.58 0.03 73.23 2.11 0.13 0.01 0.03 0.00 23.95 0.54 41 P C T 54.19 12.41 12.77 26.45 93.99 -169.65 -67.21 -20.45 93.18 5.30 1.52 20.60 31.27 41.15 0.14 1.53 0.00 4.73 0.58 42 L C S 119.13 2.58 14.39 17.67 97.42 58.10 -84.27 -18.01 94.56 3.47 1.97 13.22 40.99 40.61 0.21 1.78 0.00 2.32 0.88 43 L C S 97.23 4.01 11.48 17.05 117.04 50.82 -105.67 140.66 94.40 3.23 2.37 28.80 48.18 17.49 0.32 2.22 0.00 1.87 1.12 44 D C C 113.13 2.44 13.25 16.84 110.38 -82.76 -88.63 111.05 96.65 2.68 0.68 44.47 43.03 9.25 0.11 0.70 0.00 1.79 0.66 45 P C S 78.38 6.72 12.16 20.18 108.66 60.69 -74.11 134.28 93.57 4.32 2.11 38.15 38.69 16.79 0.30 2.01 0.00 3.48 0.58 46 V C C 69.82 9.77 12.38 23.19 113.22 -140.61 -89.67 128.43 77.97 19.90 2.13 57.48 12.71 6.45 0.31 2.01 0.00 20.23 0.81 47 E E E 108.41 6.20 17.67 25.00 117.52 -151.72 -102.95 127.86 38.24 60.29 1.46 33.47 3.41 1.08 0.40 1.03 0.00 59.24 1.36 48 V E E 31.19 19.54 12.57 31.35 124.58 -168.39 -119.72 136.39 15.88 83.82 0.30 14.76 0.93 0.18 0.17 0.14 0.00 82.56 1.26 49 K E E 119.44 4.87 23.21 29.19 122.47 -160.01 -116.30 135.35 12.22 87.58 0.21 10.84 1.23 0.22 0.11 0.10 0.00 86.29 1.21 50 I E E 22.69 22.81 11.91 34.10 120.04 -154.22 -107.34 132.70 31.03 68.85 0.13 29.52 1.23 0.09 0.09 0.06 0.00 65.84 3.17 51 D C C 71.20 5.91 20.87 27.45 106.13 -132.21 -86.18 107.17 89.46 10.36 0.18 89.39 0.74 0.07 0.11 0.03 0.00 9.23 0.42 52 E H H 86.23 14.03 14.21 28.24 93.41 -166.91 -63.28 -36.18 2.21 0.00 97.79 0.53 0.24 1.13 97.69 0.40 0.00 0.00 0.00 53 E H H 132.15 1.53 21.46 21.66 91.67 53.86 -63.42 -40.88 0.69 0.00 99.31 0.07 0.04 0.48 99.06 0.34 0.00 0.00 0.00 54 A H H 27.03 9.28 18.68 29.59 91.79 49.12 -65.22 -40.93 0.21 0.00 99.79 0.02 0.01 0.13 99.58 0.26 0.00 0.00 0.00 55 T H H 3.55 24.25 14.41 39.00 91.22 50.75 -63.59 -43.31 0.11 0.00 99.89 0.01 0.00 0.06 99.86 0.06 0.00 0.00 0.00 56 L H H 47.95 10.58 20.32 31.81 91.41 50.43 -63.41 -41.71 0.08 0.00 99.92 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 57 K H H 113.88 2.21 23.99 24.68 91.63 50.66 -63.63 -42.05 0.12 0.00 99.88 0.01 0.00 0.09 99.85 0.06 0.00 0.00 0.00 58 W H H 31.31 15.83 17.57 34.05 91.83 50.00 -64.33 -42.57 0.29 0.00 99.71 0.02 0.01 0.22 99.54 0.21 0.00 0.00 0.00 59 M H H 30.09 19.67 14.90 33.91 91.76 50.56 -64.51 -40.09 1.04 0.00 98.96 0.05 0.04 0.93 98.41 0.57 0.00 0.00 0.00 60 H H H 139.31 3.10 18.53 22.62 90.70 54.95 -66.64 -26.41 11.07 0.01 88.92 0.21 0.31 11.09 87.68 0.69 0.01 0.00 0.01 61 N C T 102.62 3.32 17.14 21.07 93.61 54.18 -88.68 -0.46 83.61 0.03 16.36 0.42 1.84 80.01 17.04 0.65 0.00 0.01 0.03 62 G C T 44.02 5.18 18.68 24.67 100.87 -98.08 91.94 7.65 99.56 0.03 0.41 3.90 2.71 93.05 0.24 0.08 0.00 0.02 0.01 63 A C C 17.66 19.83 11.37 30.81 116.95 160.87 -71.23 143.35 98.42 1.53 0.05 97.42 1.15 0.11 0.02 0.02 0.00 0.93 0.36 64 K C C 136.39 3.14 24.25 27.92 115.95 -137.63 -102.49 130.05 89.42 10.56 0.02 89.30 1.24 0.04 0.01 0.01 0.00 8.36 1.04 65 P C C 31.88 21.67 12.71 33.37 116.99 -114.32 -68.93 148.78 81.43 18.53 0.04 83.63 0.63 0.03 0.02 0.01 0.00 10.27 5.40 66 S C C 30.85 10.73 16.74 28.73 121.32 -115.50 -75.81 163.71 98.34 1.58 0.08 98.31 0.45 0.03 0.05 0.01 0.00 0.62 0.54 67 D H H 114.22 1.98 18.67 20.82 90.89 -102.24 -60.48 -34.85 1.19 0.00 98.81 0.14 0.19 0.68 98.87 0.12 0.00 0.00 0.00 68 T H H 60.58 7.03 19.42 27.23 91.79 52.76 -64.78 -41.46 0.46 0.00 99.54 0.04 0.03 0.31 99.53 0.10 0.00 0.00 0.00 69 V H H 5.57 23.79 14.95 38.83 91.72 48.26 -64.80 -42.71 0.11 0.00 99.89 0.01 0.00 0.07 99.86 0.06 0.00 0.00 0.00 70 R H H 87.81 13.14 19.12 31.94 91.17 51.34 -61.96 -42.33 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 71 N H H 86.88 2.29 23.67 24.36 91.64 49.66 -64.32 -41.95 0.14 0.00 99.86 0.01 0.00 0.10 99.88 0.02 0.00 0.00 0.00 72 L H H 26.60 12.12 19.40 32.87 91.70 49.49 -63.90 -43.08 0.22 0.00 99.78 0.01 0.01 0.16 99.79 0.03 0.00 0.00 0.00 73 L H H 8.75 20.58 14.92 35.91 91.73 48.79 -64.53 -41.99 0.55 0.00 99.45 0.06 0.04 0.36 99.44 0.10 0.00 0.00 0.00 74 S H H 53.24 7.12 17.06 25.24 92.02 51.20 -64.24 -40.65 1.79 0.00 98.21 0.17 0.08 1.35 97.92 0.48 0.00 0.00 0.00 75 R H H 166.71 1.68 18.00 19.49 91.79 52.28 -65.73 -32.51 6.39 0.00 93.61 0.14 0.18 6.27 92.87 0.53 0.00 0.00 0.00 76 E C T 91.24 8.25 14.40 23.78 93.49 50.69 -86.02 -2.56 76.92 0.01 23.07 0.22 1.33 75.01 22.76 0.65 0.00 0.00 0.01 77 G C T 41.15 4.36 18.16 23.43 96.05 -112.27 81.05 12.42 98.91 0.01 1.09 1.01 1.86 96.10 0.95 0.07 0.00 0.00 0.00 78 I H H 31.57 12.88 15.49 29.94 95.55 122.68 -74.09 -32.14 19.77 0.07 80.15 12.56 2.90 4.63 78.71 1.13 0.00 0.02 0.05 79 M H H 33.42 17.28 14.65 31.66 93.11 57.19 -64.16 -42.25 3.43 0.02 96.55 0.71 0.54 2.19 95.23 1.32 0.00 0.01 0.01 80 E H H 105.82 3.81 19.80 23.90 91.97 51.97 -63.75 -41.12 0.82 0.00 99.17 0.21 0.08 0.46 98.07 1.17 0.00 0.00 0.00 81 K H H 112.83 2.66 20.06 22.22 92.10 49.40 -65.42 -41.22 0.70 0.00 99.29 0.14 0.06 0.42 98.45 0.92 0.00 0.00 0.00 82 F H H 44.60 11.43 15.33 28.12 92.49 48.04 -66.01 -41.73 1.15 0.01 98.84 0.23 0.11 0.71 98.18 0.76 0.00 0.00 0.00 83 H H H 60.20 10.34 14.16 25.77 92.27 50.11 -64.41 -41.12 2.39 0.01 97.59 0.50 0.25 1.50 97.06 0.67 0.00 0.01 0.00 84 N H H 94.25 2.29 15.90 18.29 92.60 50.37 -65.61 -39.05 5.21 0.03 94.76 0.99 0.53 3.48 93.91 1.06 0.00 0.01 0.01 85 Q H H 110.78 2.33 14.50 17.23 93.06 50.72 -67.51 -38.38 9.32 0.05 90.63 1.71 1.19 6.27 89.10 1.66 0.01 0.03 0.02 86 K H H 112.59 5.58 12.36 19.24 94.75 47.23 -72.56 -32.98 19.90 0.15 79.95 3.42 2.60 13.76 78.20 1.84 0.03 0.07 0.08 87 L H H 96.22 5.24 10.29 17.05 99.20 44.41 -88.01 -11.43 45.16 0.43 54.41 8.86 8.07 28.47 52.21 1.92 0.05 0.15 0.27 88 G C C 54.62 2.30 11.12 14.72 105.25 -111.46 43.15 12.09 86.62 0.32 13.06 54.40 2.25 29.01 12.82 1.17 0.00 0.14 0.22 89 K C C 147.85 2.63 11.16 15.41 107.17 30.89 -82.07 102.35 99.95 0.03 0.02 99.86 0.07 0.05 0.01 0.00 0.00 0.01 0.00