# 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 93.98 9.49 15.77 25.86 114.93 -154.74 -91.47 129.92 99.83 0.17 0.00 99.84 0.04 0.01 0.00 0.00 0.00 0.10 0.00 1 R C C 101.33 10.74 15.59 26.96 118.87 -154.35 -101.61 134.78 65.01 34.90 0.09 63.30 0.77 0.26 0.02 0.06 0.00 34.68 0.93 2 H E E 72.10 11.78 18.18 30.45 122.31 -153.47 -109.30 138.62 26.69 73.24 0.07 23.24 2.46 0.24 0.01 0.06 0.00 73.44 0.56 3 Y E E 22.08 19.84 17.22 37.23 129.93 -168.39 -127.11 146.19 6.56 93.42 0.01 6.16 0.30 0.02 0.00 0.01 0.00 93.34 0.16 4 E E E 45.79 13.74 24.34 38.20 122.31 -153.00 -115.60 134.06 2.38 97.61 0.00 2.18 0.11 0.01 0.00 0.00 0.00 97.66 0.03 5 I E E 7.27 23.40 21.41 44.76 123.08 -166.20 -119.25 132.66 1.34 98.66 0.00 1.25 0.04 0.00 0.00 0.00 0.00 98.69 0.01 6 V E E 15.42 18.47 26.15 44.34 119.90 -161.09 -112.40 129.65 0.68 99.32 0.00 0.61 0.02 0.00 0.00 0.00 0.00 99.36 0.01 7 F E E 5.51 24.82 24.73 48.97 125.95 -170.95 -122.00 136.53 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 8 M E E 16.16 20.01 27.53 46.93 116.39 -154.39 -104.89 125.22 0.21 99.79 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.01 9 V E E 4.24 24.11 21.16 45.31 131.20 172.92 -130.13 149.65 4.11 95.89 0.00 4.06 0.10 0.00 0.00 0.00 0.00 95.55 0.28 10 H C C 43.79 12.45 22.38 35.46 112.21 -108.23 -75.22 135.28 92.47 7.51 0.02 92.20 0.62 0.02 0.00 0.01 0.00 7.03 0.11 11 P H G 45.73 14.50 15.44 30.47 92.32 -123.52 -60.27 -31.22 25.99 0.55 73.46 4.41 3.37 16.81 4.34 70.59 0.00 0.41 0.08 12 D H G 112.96 1.80 20.26 21.55 91.61 62.45 -74.59 -10.94 28.61 0.28 71.11 3.58 3.35 19.33 4.67 68.83 0.00 0.17 0.07 13 Q H G 51.45 13.70 12.74 26.97 98.63 57.06 -102.01 11.00 32.86 0.43 66.70 16.24 5.25 8.24 4.91 65.00 0.00 0.24 0.12 14 S H G 47.49 14.46 12.31 26.43 93.26 114.89 -61.57 -36.73 34.27 0.35 65.38 15.02 4.72 13.30 8.63 58.02 0.00 0.18 0.13 15 E H G 157.10 0.96 18.56 17.74 91.87 58.30 -70.70 -23.12 36.02 0.16 63.82 3.50 4.09 26.06 7.83 58.35 0.00 0.09 0.09 16 Q H G 93.88 7.46 16.63 24.86 97.35 47.22 -90.76 -9.55 33.52 0.18 66.30 5.77 3.77 22.21 12.58 55.49 0.00 0.09 0.09 17 V H H 12.76 23.20 11.71 33.97 93.90 81.61 -64.34 -42.92 6.29 0.02 93.69 3.03 1.57 1.72 92.77 0.90 0.00 0.00 0.01 18 P H H 73.57 6.60 20.32 27.60 91.90 53.77 -62.13 -40.51 2.38 0.01 97.61 0.45 0.15 1.52 96.69 1.18 0.00 0.00 0.00 19 G H H 33.44 2.93 22.44 24.73 91.95 50.11 -64.08 -40.36 1.60 0.01 98.39 0.33 0.11 1.01 97.24 1.30 0.00 0.01 0.00 20 M H H 19.99 17.79 18.83 36.66 92.03 51.09 -64.70 -42.83 0.59 0.00 99.41 0.17 0.05 0.28 99.13 0.36 0.00 0.00 0.00 21 I H H 15.14 22.04 18.01 39.54 91.57 50.64 -63.21 -42.87 0.17 0.00 99.83 0.04 0.01 0.08 99.85 0.03 0.00 0.00 0.00 22 E H H 117.88 3.18 23.81 27.14 91.35 51.00 -63.55 -40.86 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 23 R H H 115.11 5.62 23.45 29.35 91.78 49.47 -64.75 -41.87 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 24 Y H H 7.47 24.52 18.70 42.99 91.86 48.01 -64.63 -42.55 0.14 0.00 99.86 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 25 T H H 33.81 17.34 20.47 36.83 91.55 52.12 -62.61 -41.82 0.35 0.00 99.64 0.04 0.01 0.20 99.73 0.02 0.00 0.00 0.00 26 A H H 60.92 2.34 25.37 26.12 91.47 51.49 -64.13 -41.43 1.04 0.00 98.96 0.11 0.05 0.69 99.07 0.07 0.00 0.00 0.00 27 A H H 23.08 12.24 20.73 33.75 91.88 50.31 -65.12 -42.39 1.68 0.02 98.29 0.24 0.17 1.12 98.29 0.16 0.01 0.01 0.01 28 I H H 3.70 25.77 14.36 40.46 92.60 48.22 -66.05 -41.66 2.96 0.12 96.92 0.65 0.39 1.90 96.58 0.36 0.02 0.06 0.03 29 T H H 76.95 7.97 19.65 28.12 93.13 51.57 -65.11 -39.37 5.92 0.15 93.93 1.08 0.56 4.19 93.35 0.66 0.02 0.08 0.04 30 G H H 57.02 1.52 20.47 21.03 92.81 51.95 -67.72 -27.19 20.07 0.13 79.80 0.95 1.26 18.01 78.69 0.92 0.06 0.05 0.06 31 A C T 31.27 14.79 13.97 28.89 97.36 51.32 -90.57 2.56 85.01 0.09 14.90 0.59 3.46 80.14 14.67 1.01 0.00 0.03 0.09 32 E C T 139.37 2.64 22.45 25.09 95.81 -105.86 66.68 29.29 92.54 0.14 7.33 1.67 4.26 86.32 7.08 0.53 0.00 0.08 0.06 33 G C C 9.15 21.85 10.37 31.00 125.94 138.05 -91.81 167.90 84.19 15.68 0.12 73.37 8.03 0.78 0.02 0.10 0.00 17.36 0.34 34 K E E 114.06 3.53 25.11 28.94 124.26 -134.93 -121.66 140.23 13.55 86.40 0.05 12.62 0.67 0.06 0.02 0.02 0.00 86.25 0.35 35 I E E 48.64 20.29 12.72 32.25 110.57 -122.78 -81.92 122.00 0.93 99.06 0.01 0.93 0.02 0.00 0.00 0.00 0.00 99.00 0.04 36 H E E 96.55 5.79 19.17 26.12 101.37 176.05 -93.37 -35.53 1.80 98.19 0.01 1.23 0.30 0.02 0.00 0.00 0.00 98.43 0.01 37 R E E 112.34 4.33 22.61 27.74 139.13 -2.49 -154.40 150.44 0.77 99.23 0.00 0.55 0.08 0.00 0.00 0.00 0.00 99.37 0.00 38 L E E 56.43 20.68 11.72 30.81 124.21 -162.31 -128.75 129.37 0.77 99.23 0.00 0.67 0.03 0.00 0.00 0.00 0.00 99.29 0.01 39 E E E 91.19 5.37 20.95 27.09 124.81 -172.36 -124.93 138.27 1.96 98.04 0.01 1.58 0.15 0.01 0.00 0.00 0.00 98.24 0.02 40 D E E 86.54 8.57 15.87 25.65 110.11 -123.37 -82.63 120.98 7.12 92.87 0.01 6.22 0.32 0.02 0.00 0.01 0.00 93.38 0.05 41 W E E 93.52 12.20 13.97 27.00 99.74 174.66 -101.38 -3.41 14.53 85.28 0.19 11.18 2.22 0.57 0.04 0.12 0.00 85.71 0.16 42 G E E 27.46 4.49 19.11 24.62 128.44 -115.07 98.96 -170.41 8.14 91.72 0.13 4.14 3.25 0.70 0.02 0.08 0.00 91.68 0.12 43 R E E 139.47 7.56 15.35 24.39 118.38 -44.44 -96.59 135.52 3.91 95.91 0.18 3.26 0.41 0.10 0.07 0.06 0.00 96.04 0.07 44 R E E 88.42 10.55 14.69 26.53 131.09 -174.42 -135.43 147.91 2.01 97.85 0.14 1.75 0.16 0.06 0.06 0.04 0.00 97.85 0.08 45 Q E E 120.66 3.76 17.95 23.06 114.91 -117.60 -85.98 132.77 3.58 96.31 0.11 3.30 0.21 0.05 0.06 0.03 0.00 96.15 0.19 46 L E E 35.55 17.85 8.86 25.94 114.44 -128.17 -81.65 138.37 39.57 60.21 0.21 36.83 1.55 0.18 0.08 0.08 0.00 60.78 0.49 47 A C S 75.35 3.17 16.27 20.31 95.25 -145.74 -73.56 -26.90 76.31 23.59 0.10 21.34 51.69 1.98 0.01 0.10 0.00 24.48 0.41 48 Y C S 120.85 4.08 15.29 20.56 127.49 33.85 -127.55 144.49 76.14 23.77 0.09 7.10 66.23 2.10 0.01 0.08 0.00 23.95 0.54 49 P C C 87.55 5.07 13.89 20.45 113.43 -99.14 -66.54 140.92 70.68 28.78 0.54 62.21 5.82 1.33 0.12 0.42 0.00 28.28 1.80 50 I C C 53.46 13.45 8.43 21.96 119.31 -170.24 -119.75 126.99 59.45 38.30 2.25 48.14 6.91 2.95 0.98 1.45 0.01 24.17 15.38 51 N C T 128.53 1.89 14.11 16.47 97.74 -22.94 52.40 42.80 90.72 3.71 5.57 13.99 31.09 46.05 0.64 4.71 0.00 2.59 0.92 52 K C T 162.96 1.80 14.47 16.77 97.01 -42.53 55.33 8.15 91.64 3.14 5.23 11.19 33.03 47.71 0.47 4.70 0.00 2.20 0.70 53 L E E 64.73 10.66 11.74 23.43 117.76 92.57 -105.71 130.40 47.06 50.89 2.05 30.92 11.17 6.73 0.45 1.76 0.01 44.29 4.68 54 H E E 79.74 9.72 16.15 26.85 115.31 -168.98 -107.28 129.36 39.37 60.39 0.24 26.18 11.19 1.73 0.05 0.20 0.00 59.82 0.83 55 K E E 85.25 9.20 21.36 30.80 126.68 17.56 -127.07 138.86 16.92 82.95 0.12 12.45 3.53 0.84 0.02 0.11 0.00 82.53 0.53 56 A E E 8.64 20.79 16.26 37.16 134.84 -176.84 -135.31 154.42 7.83 92.14 0.03 6.85 0.68 0.07 0.01 0.02 0.00 92.22 0.15 57 H E E 32.08 13.99 22.83 37.66 123.25 -140.75 -113.86 137.21 1.71 98.27 0.02 1.59 0.17 0.01 0.01 0.01 0.00 98.15 0.06 58 Y E E 33.63 17.62 21.41 38.98 121.12 -157.16 -110.41 132.10 0.25 99.75 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.75 0.01 59 V E E 12.67 18.72 21.40 40.59 122.04 -166.86 -117.82 131.81 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 60 L E E 29.12 15.21 23.83 39.26 119.19 -162.12 -111.44 127.30 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 61 M E E 15.55 20.48 20.89 41.33 123.08 -169.39 -117.59 134.43 0.34 99.66 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.69 0.00 62 N E E 42.38 12.37 25.10 37.80 118.25 -159.51 -107.66 127.76 0.36 99.64 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.68 0.00 63 V E E 8.97 22.68 18.10 40.88 126.54 -173.45 -125.67 138.60 0.47 99.53 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.54 0.02 64 E E E 81.81 9.06 25.57 34.97 117.64 -152.85 -108.83 125.97 4.25 95.74 0.01 3.60 0.46 0.03 0.00 0.00 0.00 95.75 0.16 65 A E E 10.18 19.88 15.43 35.57 139.24 150.37 -148.67 162.16 46.93 53.02 0.04 38.90 6.63 0.13 0.01 0.02 0.00 53.96 0.35 66 P C C 51.68 6.10 20.75 27.78 113.08 -88.78 -64.32 146.75 79.41 20.31 0.28 76.03 2.31 0.23 0.16 0.09 0.00 20.58 0.61 67 Q H H 101.10 9.39 14.42 24.86 91.69 -113.61 -58.65 -36.08 10.96 0.14 88.91 2.19 2.18 6.61 83.06 5.78 0.06 0.07 0.06 68 E H H 132.61 1.49 20.12 20.30 91.24 58.67 -64.98 -34.03 7.36 0.10 92.54 1.48 1.03 4.71 86.69 5.96 0.04 0.06 0.04 69 V H H 26.35 13.87 16.26 30.99 93.97 48.41 -72.05 -37.23 4.11 0.10 95.79 1.50 0.56 2.12 90.09 5.62 0.01 0.08 0.02 70 I H H 18.40 20.59 14.47 34.73 91.60 55.99 -62.19 -43.70 1.57 0.03 98.41 0.62 0.20 0.71 97.03 1.41 0.00 0.01 0.01 71 D H H 86.15 2.92 21.93 24.44 91.67 51.11 -64.01 -40.44 1.85 0.02 98.13 0.52 0.16 1.06 97.15 1.08 0.00 0.01 0.00 72 E H H 95.89 4.16 21.24 25.48 91.91 49.92 -65.23 -40.74 2.13 0.02 97.85 0.42 0.17 1.39 97.00 1.00 0.00 0.01 0.00 73 L H H 9.26 22.03 15.17 37.33 92.26 50.27 -64.85 -42.54 2.77 0.03 97.20 0.71 0.28 1.67 95.92 1.39 0.00 0.02 0.01 74 E H H 73.03 13.20 18.25 31.16 91.63 52.76 -62.44 -40.76 6.26 0.07 93.67 1.38 0.54 4.09 91.86 2.07 0.01 0.04 0.02 75 T H H 82.59 1.83 21.29 21.35 92.40 49.78 -66.53 -40.27 14.67 0.12 85.21 1.93 1.26 11.20 82.12 3.34 0.04 0.06 0.05 76 T H H 47.40 9.43 17.51 27.96 92.73 49.58 -68.56 -36.85 21.41 0.30 78.28 3.63 2.46 15.21 74.32 4.01 0.07 0.17 0.13 77 F H H 25.81 20.28 11.99 31.59 96.74 52.07 -80.33 -21.75 38.38 3.83 57.79 16.81 6.10 16.64 50.13 6.55 0.15 2.42 1.21 78 R C H 135.97 6.23 16.43 23.84 94.64 73.85 -68.57 -25.89 53.86 6.04 40.10 22.54 6.11 24.15 35.70 5.62 0.11 4.21 1.57 79 F C H 136.94 3.79 15.19 19.80 98.66 55.62 -86.78 -5.64 61.90 6.33 31.77 23.33 12.59 25.70 26.72 5.69 0.17 3.92 1.87 80 N C C 65.31 10.19 11.51 22.70 111.75 82.95 -98.98 107.38 79.76 4.02 16.22 52.99 16.44 8.85 15.15 2.92 0.01 2.34 1.31 81 D C H 104.89 4.65 14.10 20.44 96.18 -157.60 -70.24 -8.54 52.52 1.75 45.73 15.70 11.81 24.73 37.18 8.78 0.10 1.13 0.57 82 A H H 57.98 6.71 15.06 22.99 97.06 76.51 -76.20 -21.50 43.71 4.97 51.33 13.61 8.61 21.34 41.46 9.66 0.30 4.08 0.94 83 V H H 41.78 15.40 13.11 28.27 104.57 58.73 -89.96 -0.79 30.61 21.99 47.41 14.64 6.58 10.37 37.89 8.20 0.45 19.79 2.09 84 I H H 68.55 12.53 14.61 27.41 108.81 91.04 -89.02 104.44 24.05 35.42 40.53 14.75 4.38 5.06 35.61 5.35 0.14 32.61 2.11 85 R E E 137.50 6.19 16.14 23.36 104.90 102.39 -89.38 0.46 24.64 38.69 36.66 15.99 3.73 4.48 30.23 6.44 0.05 37.78 1.30 86 S E E 57.80 9.59 15.16 25.35 110.91 68.11 -95.57 98.44 29.87 37.49 32.65 16.89 6.06 7.16 24.43 7.88 0.10 36.31 1.17 87 M E E 80.41 11.65 15.57 27.46 109.38 68.95 -98.52 86.43 27.13 45.25 27.62 17.06 4.58 5.95 19.82 6.90 0.04 44.59 1.06 88 V E E 62.64 13.92 14.06 28.06 118.92 124.59 -104.71 130.10 23.43 61.39 15.18 17.92 2.42 2.03 14.09 2.20 0.00 59.78 1.55 89 M E E 84.49 9.41 16.51 27.02 122.75 -169.62 -115.78 136.96 22.26 67.11 10.63 17.70 2.21 1.46 10.28 1.50 0.00 65.35 1.49 90 R E E 140.43 6.58 16.34 24.63 116.33 -141.07 -97.01 129.91 29.43 60.58 9.98 23.33 3.20 1.89 8.98 1.74 0.00 59.36 1.50 91 T C C 42.89 14.56 10.62 25.23 121.64 -166.70 -112.10 141.74 59.29 29.18 11.54 49.80 4.98 2.70 8.90 2.62 0.00 29.54 1.46 92 K C C 154.44 2.25 16.39 19.20 97.88 -149.66 -79.64 -23.97 70.57 10.82 18.61 34.10 23.44 13.57 12.88 5.62 0.05 8.96 1.37 93 H C C 114.40 5.01 15.66 21.74 115.78 31.97 -115.23 121.41 71.72 7.97 20.31 34.88 22.54 15.20 13.25 6.82 0.07 5.68 1.57 94 A C C 45.86 12.04 13.56 26.03 113.27 -132.51 -82.47 136.44 70.99 8.47 20.54 56.38 8.15 6.43 13.77 6.79 0.01 6.82 1.64 95 V C C 56.53 13.24 12.64 26.13 110.93 -142.72 -93.36 118.98 69.88 9.48 20.64 53.10 9.75 6.57 15.31 5.94 0.01 6.92 2.40 96 T C C 86.59 5.83 15.59 22.49 107.34 146.59 -98.27 -6.60 73.09 8.13 18.78 48.57 15.79 8.49 14.06 5.40 0.03 5.67 2.00 97 E C C 125.86 3.42 16.31 20.69 119.04 43.37 -100.84 139.83 78.52 6.08 15.40 51.32 18.92 8.03 11.68 4.37 0.01 4.04 1.62 98 A C C 56.01 10.71 12.02 23.29 114.04 -107.46 -74.70 145.06 84.55 3.39 12.06 65.16 12.18 6.51 9.59 3.23 0.00 1.99 1.34 99 S C C 37.73 10.65 11.17 23.02 116.83 -123.19 -83.63 144.62 89.21 1.14 9.64 75.17 10.69 3.04 8.19 1.84 0.00 0.55 0.52 100 P C H 97.55 3.10 14.51 18.65 93.43 -121.17 -64.16 -26.75 56.76 1.27 41.97 25.25 9.47 22.35 28.66 12.99 0.02 0.73 0.53 101 M C H 99.99 6.54 13.10 20.83 96.34 58.94 -76.05 -23.08 51.86 3.03 45.12 21.15 10.13 21.66 29.57 14.46 0.10 1.85 1.09 102 V C C 53.99 13.19 9.47 22.48 102.26 64.91 -84.36 0.88 51.07 6.49 42.43 30.05 10.73 11.52 28.55 13.03 0.08 4.00 2.03 103 K C C 136.34 3.38 12.54 17.42 104.27 79.41 -84.34 24.35 63.30 5.82 30.88 41.51 10.33 11.34 24.67 6.65 0.03 3.58 1.88 104 A C C 72.17 5.16 9.23 16.09 108.16 115.64 -84.58 117.81 82.06 2.84 15.10 69.93 2.03 10.07 12.47 2.64 0.00 1.74 1.13 105 K C C 150.19 2.69 12.50 16.72 107.37 -129.89 -86.55 91.90 99.90 0.07 0.03 99.82 0.07 0.05 0.01 0.00 0.00 0.04 0.01