# 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 35.36 18.60 15.96 33.97 122.96 -158.82 -105.68 138.99 99.48 0.52 0.00 99.53 0.07 0.00 0.00 0.00 0.00 0.39 0.01 1 R E E 117.95 6.71 22.80 29.93 116.72 -141.44 -100.40 127.19 8.03 91.96 0.01 8.10 0.11 0.01 0.00 0.00 0.00 91.51 0.28 2 V E E 7.21 24.05 14.62 38.97 124.57 -168.13 -118.23 136.66 1.41 98.59 0.00 1.34 0.03 0.00 0.00 0.00 0.00 98.61 0.01 3 S E E 22.12 10.09 25.93 37.22 123.20 -158.82 -114.54 138.36 0.30 99.70 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 4 V E E 3.79 25.33 19.26 45.29 120.81 -158.22 -114.55 128.89 0.16 99.84 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 5 V E E 20.75 13.45 25.35 39.66 122.01 -166.75 -116.15 133.03 0.35 99.65 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.66 0.01 6 Y E E 23.88 19.07 20.55 39.48 123.05 -167.42 -116.71 136.79 2.49 97.50 0.01 2.07 0.17 0.01 0.00 0.00 0.00 97.69 0.04 7 A E E 23.98 14.24 18.37 33.24 120.82 -161.98 -115.98 139.14 19.12 80.84 0.05 14.71 3.82 0.29 0.01 0.04 0.00 80.81 0.33 8 D C C 53.16 7.98 16.70 26.02 125.58 170.12 -122.90 144.82 67.29 32.60 0.11 59.89 5.15 0.47 0.02 0.10 0.00 33.62 0.76 9 P C T 94.09 5.65 12.57 19.80 93.85 -108.51 -63.11 -28.34 97.97 0.74 1.30 8.49 42.19 47.41 0.11 1.15 0.00 0.49 0.16 10 A C T 94.63 0.82 13.74 13.46 99.26 33.88 -91.96 -25.35 97.78 0.84 1.37 8.12 43.62 46.11 0.12 1.29 0.00 0.56 0.18 11 K C C 126.68 2.81 14.54 18.45 123.79 12.83 -143.06 123.96 60.95 38.56 0.49 40.06 19.09 2.65 0.08 0.49 0.00 36.34 1.29 12 P E E 68.65 12.75 10.48 23.33 117.58 -154.04 -84.14 139.85 36.02 63.93 0.06 33.09 1.51 0.15 0.01 0.04 0.00 64.89 0.30 13 L E E 63.23 8.82 16.72 27.03 125.88 -167.10 -123.55 141.60 6.73 93.25 0.02 5.75 0.47 0.04 0.00 0.01 0.00 93.63 0.10 14 Q E E 96.60 10.90 15.47 27.45 122.96 -157.16 -117.62 134.02 1.29 98.70 0.00 1.09 0.06 0.00 0.00 0.00 0.00 98.83 0.01 15 L E E 43.82 13.07 16.23 30.49 127.79 -173.96 -131.72 140.93 0.24 99.76 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 16 S E E 69.32 6.60 19.54 27.59 118.25 -138.07 -96.24 133.54 0.59 99.41 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.44 0.01 17 C E E 17.94 19.31 13.58 32.88 129.96 -175.68 -131.86 146.71 7.87 92.13 0.00 7.52 0.12 0.00 0.00 0.00 0.00 92.30 0.05 18 K E E 132.76 3.40 23.49 27.54 115.57 -140.06 -100.61 126.53 9.48 90.51 0.01 9.11 0.34 0.02 0.00 0.01 0.00 90.17 0.35 19 V E E 13.19 23.60 9.87 32.50 126.51 -169.53 -116.31 147.27 44.79 55.18 0.03 44.45 0.89 0.05 0.01 0.02 0.00 51.97 2.61 20 E C C 111.78 3.07 20.73 23.31 116.55 -105.99 -72.17 152.51 85.25 14.67 0.07 83.64 1.21 0.29 0.02 0.05 0.00 13.69 1.11 21 D C T 111.55 3.94 15.01 20.99 109.75 -86.07 -62.13 135.05 99.62 0.19 0.19 0.21 3.33 96.21 0.01 0.12 0.00 0.10 0.03 22 G C T 54.30 2.61 18.87 21.84 95.33 21.48 83.88 -1.85 99.71 0.16 0.13 0.48 2.68 96.61 0.01 0.11 0.00 0.10 0.01 23 C C C 17.16 15.61 13.37 30.42 117.89 141.20 -74.43 146.25 96.35 3.62 0.03 89.09 7.72 0.09 0.01 0.02 0.00 2.33 0.74 24 S E B 28.63 8.41 25.40 34.55 126.02 -139.26 -93.56 165.16 11.61 88.35 0.04 9.67 0.16 0.00 0.04 0.00 0.00 5.86 84.27 25 V H H 2.84 26.67 17.57 45.43 90.54 -106.82 -59.27 -38.34 0.63 0.01 99.37 0.06 0.06 0.46 99.27 0.15 0.00 0.00 0.00 26 E H H 80.37 12.41 23.74 35.56 91.24 53.76 -62.29 -42.19 0.14 0.00 99.86 0.01 0.01 0.09 99.83 0.06 0.00 0.00 0.00 27 Q H H 81.63 4.38 26.64 31.11 91.59 48.66 -64.72 -41.46 0.04 0.00 99.96 0.00 0.00 0.02 99.93 0.05 0.00 0.00 0.00 28 A H H 2.57 22.88 18.90 42.35 91.32 50.68 -62.80 -44.27 0.02 0.00 99.98 0.00 0.00 0.01 99.96 0.02 0.00 0.00 0.00 29 I H H 6.58 24.10 18.25 42.21 91.69 48.92 -63.91 -43.25 0.06 0.00 99.94 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 30 Q H H 107.13 5.14 21.81 27.81 91.85 49.22 -63.89 -41.18 0.25 0.00 99.75 0.01 0.00 0.22 99.71 0.06 0.00 0.00 0.00 31 Q H H 103.53 5.70 20.73 27.10 91.77 49.90 -66.90 -33.10 2.81 0.00 97.19 0.03 0.05 3.01 96.79 0.12 0.00 0.00 0.00 32 S H H 17.91 17.90 15.10 33.15 92.97 52.00 -82.45 -11.15 49.44 0.07 50.49 0.56 2.27 45.01 51.51 0.53 0.03 0.02 0.06 33 G C T 32.33 5.83 22.42 29.36 95.46 -120.50 77.46 15.35 96.45 0.19 3.35 12.26 9.12 74.81 3.07 0.52 0.00 0.09 0.13 34 V H H 9.64 21.34 14.78 36.76 93.55 130.34 -67.02 -35.46 9.62 0.08 90.29 3.16 1.19 5.06 77.79 12.70 0.01 0.05 0.04 35 L H H 44.45 16.41 14.60 30.86 90.97 61.04 -65.31 -28.86 5.68 0.05 94.27 0.51 0.41 4.13 74.38 20.51 0.02 0.03 0.02 36 R H H 174.84 1.34 19.79 20.11 91.87 55.85 -68.92 -31.31 5.53 0.02 94.44 0.29 0.32 4.48 79.68 15.19 0.02 0.01 0.01 37 C H H 68.26 7.10 16.47 24.44 95.49 44.51 -82.08 -26.76 11.05 0.05 88.91 0.35 1.23 9.79 83.98 4.51 0.09 0.02 0.04 38 C C C 19.89 16.84 9.75 26.62 111.91 33.24 -127.50 80.00 99.68 0.26 0.06 72.68 26.74 0.21 0.03 0.02 0.00 0.06 0.26 39 P C T 99.20 3.47 14.09 19.64 92.54 173.31 -65.00 -21.79 98.03 0.21 1.76 1.79 3.97 92.15 0.08 1.81 0.00 0.13 0.07 40 D C T 114.42 1.81 17.33 18.89 93.04 60.23 -84.29 -4.79 97.37 0.31 2.32 1.63 3.48 92.12 0.10 2.37 0.00 0.23 0.06 41 I C C 20.12 21.54 8.01 28.27 116.16 102.77 -84.71 133.98 94.72 2.58 2.71 52.17 39.84 2.40 0.46 2.37 0.00 1.10 1.67 42 D C C 76.16 3.63 21.77 25.29 107.34 -141.79 -97.26 105.79 96.35 2.66 0.98 94.54 1.43 0.61 0.28 0.55 0.00 1.00 1.59 43 L C G 35.41 20.80 10.42 30.43 93.67 -172.69 -67.21 -26.31 52.57 0.81 46.62 7.79 5.09 37.32 2.29 46.69 0.00 0.49 0.32 44 K C T 148.89 2.65 17.29 21.00 91.08 63.63 -69.48 -21.60 57.40 0.32 42.29 1.07 3.36 52.25 1.75 41.25 0.00 0.17 0.14 45 K C T 138.22 2.27 18.54 20.54 100.10 39.38 -103.92 -5.96 55.21 0.60 44.19 2.98 5.92 44.51 1.88 44.12 0.00 0.37 0.22 46 Q C C 31.93 19.11 11.53 29.97 122.79 90.79 -99.82 145.47 86.11 10.21 3.68 60.62 23.26 2.78 1.21 2.48 0.00 7.82 1.83 47 K E E 93.89 7.63 24.69 32.62 119.40 -140.15 -100.81 136.73 37.32 61.96 0.73 35.56 1.37 0.36 0.41 0.34 0.00 57.76 4.20 48 V E E 6.00 24.99 15.94 41.46 122.13 -156.54 -114.54 132.97 12.65 87.28 0.06 11.67 0.91 0.07 0.02 0.03 0.00 86.68 0.60 49 G E E 12.04 11.16 23.52 35.64 133.15 -162.46 -128.18 158.66 3.57 96.41 0.02 3.04 0.35 0.04 0.01 0.01 0.00 96.33 0.23 50 V E E 22.74 18.75 15.35 34.34 119.74 -154.52 -125.47 122.06 2.58 97.33 0.10 1.55 0.79 0.28 0.05 0.06 0.00 95.42 1.85 51 F C T 118.63 8.09 16.35 25.74 93.47 -16.33 54.93 43.71 97.96 1.58 0.46 0.54 3.68 94.20 0.02 0.37 0.00 1.06 0.12 52 G C T 56.85 3.27 15.44 19.70 94.25 -46.64 79.63 1.90 99.55 0.20 0.25 0.71 4.59 94.28 0.01 0.25 0.00 0.14 0.03 53 K E E 129.82 2.27 16.68 19.97 124.70 103.20 -114.11 142.98 7.23 92.72 0.06 4.09 3.16 0.41 0.02 0.04 0.00 89.83 2.45 54 F E E 126.96 7.51 13.92 23.23 112.33 -114.55 -73.94 130.95 7.41 92.57 0.02 6.19 1.00 0.08 0.01 0.01 0.00 91.14 1.57 55 V C C 33.70 13.51 12.50 27.10 132.13 173.83 -132.44 156.83 59.85 40.13 0.02 57.12 2.15 0.07 0.00 0.02 0.00 39.26 1.39 56 K C C 124.83 2.77 22.55 24.61 115.98 -101.11 -74.27 148.13 92.85 7.09 0.06 92.63 0.90 0.13 0.01 0.04 0.00 5.41 0.88 57 L C T 44.85 20.28 11.56 30.72 92.10 -113.83 -61.52 -25.62 99.28 0.52 0.19 1.30 6.94 91.10 0.01 0.21 0.00 0.38 0.07 58 D C T 101.94 3.71 19.68 24.16 94.06 59.04 -89.48 0.34 99.46 0.43 0.11 1.30 4.66 93.51 0.00 0.15 0.00 0.34 0.03 59 S C C 34.80 10.07 15.32 27.29 116.55 118.98 -72.73 140.95 97.81 2.17 0.02 59.06 39.12 0.13 0.00 0.02 0.00 1.34 0.33 60 P E B 77.41 6.01 22.05 28.40 114.10 -106.11 -67.60 143.39 18.11 81.85 0.04 16.07 0.25 0.01 0.04 0.00 0.00 9.74 73.90 61 L C C 9.34 25.35 9.30 34.18 115.52 -123.47 -81.46 138.83 91.20 8.77 0.03 93.02 0.51 0.03 0.01 0.01 0.00 3.18 3.24 62 K C C 123.61 2.66 22.42 25.02 128.19 -162.20 -121.58 154.83 99.16 0.81 0.03 98.38 0.82 0.06 0.01 0.01 0.00 0.25 0.48 63 D C T 111.20 4.06 14.71 20.71 109.28 -80.53 -59.51 134.35 99.65 0.21 0.14 0.17 2.35 97.24 0.01 0.09 0.00 0.10 0.05 64 G C T 50.22 2.88 18.01 21.21 96.58 24.19 89.08 -5.62 99.80 0.11 0.09 0.43 2.10 97.32 0.00 0.07 0.00 0.07 0.01 65 D C C 34.70 14.20 13.12 28.52 117.45 133.91 -70.24 145.27 94.87 5.10 0.02 93.57 1.61 0.06 0.00 0.02 0.00 4.48 0.25 66 R E E 112.88 7.54 22.45 30.63 117.93 -131.86 -99.55 132.29 8.66 91.32 0.02 8.67 0.23 0.02 0.01 0.01 0.00 89.52 1.54 67 I E E 10.17 24.78 15.22 40.17 125.11 -169.36 -120.08 137.19 3.94 96.05 0.01 3.92 0.07 0.01 0.00 0.00 0.00 95.93 0.06 68 E E E 53.63 10.39 25.44 36.47 121.59 -159.07 -114.80 134.21 2.81 97.18 0.00 2.85 0.04 0.00 0.00 0.00 0.00 97.02 0.08 69 I E E 21.88 20.71 18.33 38.85 118.54 -157.03 -109.27 126.95 6.03 93.94 0.02 5.95 0.11 0.01 0.01 0.01 0.00 93.44 0.46 70 Y E E 61.21 12.28 18.26 31.44 128.23 -173.68 -121.48 148.94 33.18 66.61 0.21 30.95 1.48 0.21 0.07 0.11 0.00 66.21 0.98 71 Q C C 92.02 7.99 17.06 25.86 118.30 -122.51 -87.56 145.66 79.31 19.87 0.82 65.80 10.50 1.49 0.14 0.69 0.00 20.74 0.63 72 R C C 144.01 5.48 14.50 21.61 112.76 -87.73 -69.14 138.94 85.90 12.69 1.41 75.79 7.39 2.09 0.36 1.02 0.00 12.20 1.15 73 V C C 83.63 8.75 9.25 19.24 115.92 -144.45 -97.46 132.97 77.93 20.89 1.18 71.67 4.37 1.15 0.46 0.72 0.00 17.71 3.91 74 T C C 98.73 2.39 11.35 15.25 118.70 -151.15 -103.07 136.08 70.93 28.17 0.89 64.69 4.28 1.09 0.41 0.52 0.00 24.24 4.76 75 R C C 159.06 3.88 8.49 14.47 115.87 -141.48 -96.41 130.17 73.50 25.42 1.09 64.92 6.31 1.56 0.50 0.66 0.00 21.05 5.01 76 V C C 100.16 3.29 8.46 13.68 117.76 -160.89 -102.98 136.25 88.88 9.84 1.29 78.14 8.64 2.08 0.55 0.67 0.00 8.16 1.76 77 D C C 110.29 2.06 9.21 12.76 109.56 -116.27 -77.75 129.57 86.17 4.57 9.26 57.29 14.18 15.09 3.33 5.63 0.00 3.23 1.25 78 D C C 111.99 2.41 8.69 12.72 101.58 -136.07 -82.78 6.95 83.82 1.26 14.91 40.18 21.02 23.55 5.65 8.26 0.00 0.57 0.75 79 D C C 103.74 2.58 8.96 13.09 103.23 95.24 -84.40 18.57 75.74 1.33 22.93 36.85 19.52 20.21 9.43 12.53 0.01 0.58 0.88 80 D C C 99.27 3.24 8.80 13.73 104.97 90.68 -86.08 35.25 70.09 1.55 28.36 37.34 16.09 17.41 12.57 14.95 0.01 0.71 0.91 81 D C C 96.69 3.62 8.11 13.49 106.59 113.42 -88.37 68.91 70.29 1.76 27.95 44.11 11.48 14.93 13.07 14.55 0.01 0.86 0.99 82 D C C 101.50 3.02 8.05 12.81 107.16 128.46 -87.15 78.18 71.67 1.67 26.65 45.87 11.39 14.70 12.09 14.16 0.00 0.82 0.96 83 D C C 114.79 1.85 7.86 11.21 104.29 83.05 -85.09 22.55 77.76 1.53 20.71 40.08 14.63 24.01 8.82 10.82 0.01 0.70 0.93 84 D C C 114.16 1.82 7.29 10.65 105.70 102.22 -85.49 47.63 89.34 0.72 9.94 69.28 3.07 18.35 4.40 4.08 0.00 0.38 0.43 85 D C C 110.56 2.42 9.38 13.44 105.96 126.62 -85.58 70.29 99.92 0.04 0.04 99.72 0.13 0.10 0.02 0.00 0.00 0.02 0.01