# 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 103.78 7.66 11.67 20.61 116.85 -161.16 -97.72 134.18 99.83 0.16 0.01 99.79 0.08 0.03 0.00 0.00 0.00 0.07 0.02 1 N C C 122.70 2.16 12.21 15.63 111.11 -145.73 -94.94 113.14 96.24 3.32 0.44 93.68 1.52 1.19 0.21 0.14 0.00 1.39 1.88 2 A C C 59.10 8.51 8.39 18.03 117.99 -152.36 -89.85 140.08 98.49 0.99 0.52 83.03 14.54 0.99 0.31 0.18 0.00 0.47 0.49 3 P C C 65.94 7.01 11.24 20.03 114.90 -105.33 -66.22 152.67 96.27 0.69 3.04 88.27 5.10 3.09 1.97 0.83 0.00 0.30 0.44 4 D C C 92.80 4.19 14.62 20.01 109.97 -101.65 -73.20 135.81 91.95 1.39 6.66 86.50 3.25 2.74 4.33 1.65 0.00 0.53 0.98 5 R H G 119.61 10.05 11.55 22.31 95.92 -134.61 -69.52 -22.96 45.60 1.70 52.70 17.42 9.63 18.28 26.15 26.82 0.05 0.95 0.70 6 F H G 105.69 9.03 13.13 23.02 97.31 68.45 -75.92 -14.18 37.90 2.97 59.13 11.61 7.69 18.11 28.87 30.74 0.15 1.94 0.89 7 E H G 102.55 6.82 14.86 22.82 101.05 70.62 -82.64 -4.35 29.51 6.92 63.57 14.95 5.89 9.46 28.55 34.60 0.11 5.27 1.18 8 L H H 74.49 10.57 14.05 25.33 108.82 81.78 -92.27 78.73 38.91 11.32 49.76 20.62 8.44 10.52 27.03 22.68 0.19 8.46 2.06 9 F C C 78.14 13.23 14.22 27.62 118.33 68.14 -109.10 127.94 44.80 22.23 32.96 24.38 10.41 11.13 19.38 13.52 0.39 17.06 3.73 10 L C C 90.41 7.82 16.65 25.60 115.99 -156.12 -100.74 127.03 56.60 23.99 19.41 35.65 11.38 9.02 14.10 6.07 0.28 17.31 6.20 11 L C C 57.03 14.20 11.14 25.48 115.17 -162.75 -101.68 130.24 81.97 12.82 5.22 55.20 22.82 3.96 3.98 1.66 0.02 8.04 4.31 12 G C C 36.79 4.69 14.84 20.63 124.32 -122.53 -83.24 175.47 95.23 2.75 2.02 78.24 12.43 4.51 1.00 0.97 0.00 1.45 1.40 13 E C T 161.56 1.33 12.56 14.60 108.33 -58.32 -63.56 129.91 96.64 0.90 2.45 4.13 11.52 81.02 0.60 1.72 0.00 0.53 0.47 14 G C T 63.19 1.06 13.66 14.41 97.26 15.06 84.81 -2.81 97.89 0.49 1.62 6.35 10.35 81.15 0.26 1.40 0.00 0.32 0.18 15 E C C 76.42 11.12 9.39 21.31 118.75 123.58 -87.38 142.67 94.30 4.02 1.68 68.47 23.11 2.26 0.54 1.17 0.00 1.72 2.73 16 S C C 68.55 4.81 16.77 22.75 117.82 -122.39 -84.55 146.59 93.42 5.27 1.31 85.40 5.96 2.10 0.38 0.88 0.00 3.95 1.33 17 K C C 105.29 10.58 16.43 27.18 110.23 -110.18 -73.97 139.46 86.04 12.97 0.98 67.87 15.95 2.07 0.24 0.81 0.00 11.47 1.60 18 L E E 30.06 20.90 11.20 30.96 120.17 -110.25 -96.26 139.89 42.15 57.59 0.25 37.96 3.39 0.37 0.07 0.17 0.00 57.18 0.87 19 K E E 122.22 3.50 23.05 26.88 120.86 -152.91 -110.89 137.31 10.20 89.74 0.05 9.27 0.67 0.06 0.02 0.03 0.00 89.64 0.32 20 I E E 56.85 19.45 11.34 29.47 121.33 -153.06 -112.56 131.80 4.26 95.72 0.02 3.91 0.22 0.02 0.01 0.00 0.00 95.63 0.22 21 D E E 81.20 3.85 20.30 24.88 125.51 -175.90 -127.47 141.00 6.79 93.20 0.02 6.34 0.29 0.03 0.01 0.01 0.00 93.15 0.18 22 P E E 87.51 6.77 15.45 23.80 114.67 -106.04 -67.21 143.49 26.81 73.05 0.14 24.78 1.50 0.23 0.04 0.10 0.00 72.47 0.89 23 D C C 40.47 14.84 9.12 23.98 110.08 -119.57 -84.06 121.11 90.34 9.41 0.25 85.32 3.98 0.80 0.06 0.21 0.00 8.77 0.87 24 T C S 116.72 1.24 14.19 15.63 95.40 -163.40 -79.88 -18.44 98.39 1.27 0.35 16.23 67.09 15.17 0.04 0.33 0.00 0.86 0.29 25 K C S 147.25 1.94 14.45 16.71 97.14 52.85 -83.04 -28.29 98.79 0.95 0.26 3.70 82.17 13.13 0.02 0.18 0.00 0.59 0.21 26 A C S 32.04 12.03 10.04 23.01 117.60 28.34 -128.80 107.30 91.89 7.92 0.18 28.42 63.49 1.29 0.03 0.15 0.00 4.68 1.94 27 P C T 88.63 4.09 17.53 22.56 97.00 -155.32 -65.54 -19.96 95.49 4.00 0.51 1.73 8.92 85.37 0.02 0.54 0.00 3.02 0.41 28 N C T 72.25 10.77 17.10 28.38 97.10 37.93 -93.35 16.84 95.09 4.52 0.39 2.35 10.16 82.47 0.01 0.47 0.00 4.38 0.16 29 A E E 14.01 15.51 18.05 34.78 126.79 103.50 -114.16 144.36 41.82 58.10 0.08 34.95 5.80 0.29 0.01 0.08 0.00 58.28 0.59 30 V E E 9.89 19.52 19.92 39.86 128.25 -168.23 -123.99 144.80 2.59 97.40 0.00 2.43 0.06 0.00 0.00 0.00 0.00 97.41 0.10 31 V E E 26.89 12.98 24.91 38.92 118.50 -148.99 -111.36 127.41 0.20 99.80 0.00 0.17 0.01 0.00 0.00 0.00 0.00 99.81 0.00 32 I E E 5.43 23.78 19.83 44.09 119.69 -166.48 -113.00 127.54 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 33 T E E 29.38 11.15 25.92 38.09 118.79 -162.43 -111.47 127.61 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 34 F E E 11.33 22.57 16.63 39.41 121.33 -169.33 -115.39 130.78 1.87 98.13 0.00 1.86 0.04 0.00 0.00 0.00 0.00 97.99 0.10 35 E E E 82.21 7.77 21.87 29.99 117.80 -146.32 -96.49 138.99 42.52 57.02 0.46 20.23 20.27 2.63 0.05 0.36 0.00 56.08 0.39 36 K C S 120.27 5.72 21.44 27.52 96.54 2.70 58.40 43.23 86.19 12.26 1.55 15.22 61.17 9.46 0.26 1.10 0.00 11.78 0.99 37 E C C 56.24 18.08 12.88 29.77 117.35 147.25 -90.87 135.89 90.54 3.66 5.80 73.61 11.69 5.48 2.27 3.45 0.00 2.47 1.04 38 D C C 68.56 7.39 18.82 26.71 117.28 -132.26 -100.86 140.65 87.48 1.03 11.48 77.76 5.24 4.37 9.60 1.92 0.00 0.40 0.71 39 H H H 113.22 9.07 16.06 25.76 94.64 -90.15 -67.19 -26.59 38.87 0.34 60.79 11.75 10.91 16.58 58.29 2.11 0.03 0.12 0.21 40 T H H 77.02 3.57 21.29 24.56 92.85 57.24 -65.63 -40.68 18.47 0.16 81.38 4.74 3.67 10.57 79.22 1.60 0.04 0.05 0.10 41 L H H 27.58 16.93 19.13 35.72 92.43 50.49 -65.38 -41.78 4.58 0.02 95.40 1.18 0.73 2.52 94.67 0.87 0.01 0.01 0.01 42 G H H 4.16 22.04 17.08 39.11 91.27 52.83 -62.86 -42.21 2.05 0.01 97.94 0.57 0.27 1.05 97.67 0.42 0.00 0.00 0.00 43 N H H 78.43 5.36 24.43 30.02 91.55 51.32 -64.47 -40.20 0.59 0.00 99.41 0.14 0.06 0.28 99.40 0.12 0.00 0.00 0.00 44 L H H 60.47 8.01 23.98 32.54 91.54 50.77 -64.21 -42.38 0.21 0.00 99.79 0.03 0.01 0.11 99.80 0.05 0.00 0.00 0.00 45 I H H 4.04 25.20 19.94 45.07 91.52 48.93 -64.14 -43.26 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 46 R H H 64.49 18.08 22.03 38.43 91.02 51.72 -61.71 -42.83 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 47 A H H 52.18 3.99 25.09 28.81 91.27 50.51 -63.58 -41.95 0.13 0.00 99.87 0.01 0.00 0.09 99.85 0.05 0.00 0.00 0.00 48 E H H 54.72 11.46 22.40 34.08 91.98 49.52 -65.46 -41.54 0.34 0.00 99.66 0.01 0.01 0.27 99.54 0.17 0.00 0.00 0.00 49 L H H 3.22 25.92 15.38 41.75 91.62 49.92 -64.41 -40.90 1.36 0.00 98.64 0.04 0.05 1.22 98.06 0.62 0.00 0.00 0.00 50 L H H 70.21 12.39 18.62 31.07 91.41 54.46 -67.95 -26.26 24.06 0.02 75.92 0.36 0.45 23.86 74.31 1.00 0.01 0.01 0.02 51 N C T 117.09 1.96 20.90 22.34 93.15 56.60 -83.83 -8.62 71.46 0.05 28.49 1.18 1.82 67.54 28.22 1.18 0.00 0.02 0.04 52 D C C 29.19 18.61 9.43 27.39 112.28 102.26 -81.49 124.73 98.37 0.92 0.70 55.12 42.17 0.98 0.48 0.19 0.00 0.25 0.82 53 R C T 186.41 1.29 19.64 20.51 91.95 -147.01 -69.79 -19.44 99.53 0.08 0.39 0.34 5.25 94.06 0.03 0.26 0.00 0.05 0.02 54 K C T 64.73 14.15 16.43 30.73 93.17 60.71 -85.09 -10.83 99.72 0.13 0.15 0.52 4.14 95.10 0.01 0.12 0.00 0.10 0.01 55 V E E 6.93 24.99 11.71 36.88 113.61 90.10 -91.52 120.94 4.12 95.88 0.01 3.74 0.30 0.01 0.00 0.00 0.00 95.48 0.46 56 L E E 70.77 7.82 23.95 32.59 99.53 176.93 -92.98 -33.56 6.18 93.82 0.00 3.89 1.75 0.04 0.00 0.00 0.00 94.28 0.03 57 F E E 57.07 11.04 25.50 37.17 141.80 2.50 -156.12 150.60 0.50 99.50 0.00 0.38 0.04 0.00 0.00 0.00 0.00 99.57 0.00 58 A E E 10.84 23.83 17.60 40.91 131.46 -170.76 -136.94 140.91 0.34 99.66 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.00 59 A E E 23.62 13.52 24.37 37.97 139.29 173.37 -145.36 159.40 0.45 99.55 0.00 0.39 0.02 0.00 0.00 0.00 0.00 99.58 0.01 60 Y E E 50.31 18.72 18.57 36.48 131.09 -157.67 -133.76 144.64 1.26 98.74 0.00 1.14 0.04 0.00 0.00 0.00 0.00 98.78 0.03 61 K E E 98.71 9.64 20.21 30.13 117.40 -147.00 -104.71 125.98 12.84 87.14 0.02 11.32 1.18 0.06 0.00 0.01 0.00 87.06 0.36 62 V C C 49.13 12.95 14.63 28.30 118.21 -166.96 -120.96 119.48 60.66 39.29 0.06 53.21 5.40 0.25 0.01 0.05 0.00 40.35 0.72 63 E C C 113.17 5.26 16.18 22.62 107.68 -146.26 -78.01 122.06 83.63 16.23 0.14 64.54 17.45 1.22 0.02 0.16 0.00 15.69 0.92 64 H C C 70.54 8.81 11.93 22.14 127.93 55.72 -132.26 147.33 86.21 13.31 0.48 54.75 28.44 3.52 0.10 0.49 0.00 7.49 5.22 65 P C T 96.20 4.58 13.08 18.97 92.40 -107.77 -64.67 -23.12 98.76 0.29 0.95 0.91 8.83 88.93 0.03 1.03 0.00 0.18 0.09 66 F C T 135.20 4.39 14.10 19.13 98.06 44.97 -91.35 -13.76 98.68 0.42 0.90 1.05 8.99 88.58 0.04 0.95 0.00 0.30 0.09 67 F C C 70.31 11.06 12.06 24.27 117.95 51.03 -122.71 123.34 80.24 18.57 1.19 41.32 35.44 4.42 0.23 1.16 0.00 9.94 7.49 68 A C S 54.83 8.05 16.06 25.43 96.83 -166.97 -76.44 -19.38 90.82 9.04 0.14 35.79 52.02 2.78 0.01 0.15 0.00 8.84 0.41 69 R E E 101.17 8.10 20.65 29.53 130.47 43.27 -130.82 143.75 46.00 53.91 0.08 31.58 13.61 0.85 0.01 0.09 0.00 53.19 0.67 70 F E E 16.74 21.48 15.74 37.22 126.39 -165.64 -123.77 142.67 10.93 89.06 0.01 10.51 0.24 0.01 0.00 0.01 0.00 89.03 0.20 71 K E E 58.19 10.62 25.04 36.28 119.53 -149.79 -110.81 130.51 1.24 98.76 0.00 1.01 0.08 0.00 0.00 0.00 0.00 98.87 0.03 72 L E E 5.72 24.59 18.22 43.30 121.59 -165.56 -114.84 131.58 0.16 99.84 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 73 R E E 59.98 11.47 26.80 38.85 119.75 -161.15 -112.20 128.61 0.11 99.89 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 74 I E E 4.52 25.16 19.20 44.97 121.52 -169.00 -117.28 130.05 0.32 99.68 0.00 0.30 0.00 0.00 0.00 0.00 0.00 99.70 0.00 75 Q E E 49.28 10.72 26.63 37.94 120.03 -162.30 -112.20 132.98 1.80 98.19 0.00 1.73 0.03 0.00 0.00 0.00 0.00 98.18 0.05 76 T E E 13.13 20.91 14.10 34.82 132.97 -154.43 -128.68 157.16 32.28 67.71 0.01 31.85 0.49 0.02 0.00 0.01 0.00 66.96 0.66 77 T C C 55.63 7.63 17.50 26.20 117.28 -103.22 -77.35 156.52 85.97 13.84 0.19 66.14 17.37 2.35 0.04 0.19 0.00 12.02 1.87 78 E C T 154.67 2.00 15.06 17.88 105.22 -75.19 -60.73 122.88 99.26 0.32 0.42 0.76 18.35 80.28 0.02 0.32 0.00 0.17 0.10 79 G C T 66.58 0.55 16.14 14.37 96.82 11.26 84.31 -0.69 99.60 0.14 0.27 2.01 16.23 81.38 0.01 0.25 0.00 0.09 0.03 80 Y C C 67.88 13.57 10.23 24.30 125.25 99.13 -104.90 142.14 94.88 4.97 0.14 51.17 43.36 0.38 0.06 0.06 0.00 1.19 3.76 81 D C C 70.51 4.36 22.95 26.97 120.24 -133.96 -90.32 154.30 99.80 0.17 0.03 99.19 0.66 0.02 0.02 0.00 0.00 0.06 0.06 82 P H H 15.83 22.87 14.08 36.72 91.68 -114.95 -59.33 -36.90 1.96 0.00 98.04 0.25 0.17 1.31 97.77 0.48 0.00 0.00 0.00 83 K H H 95.01 10.99 21.73 32.55 91.59 53.76 -62.76 -41.87 0.66 0.00 99.34 0.06 0.03 0.45 99.12 0.33 0.00 0.00 0.00 84 D H H 75.92 3.09 25.68 27.98 91.55 48.34 -64.70 -41.29 0.12 0.00 99.88 0.02 0.01 0.07 99.74 0.17 0.00 0.00 0.00 85 A H H 7.07 17.77 19.16 37.84 91.61 50.65 -63.24 -43.65 0.05 0.00 99.94 0.00 0.00 0.03 99.93 0.03 0.00 0.00 0.00 86 L H H 7.78 23.88 19.93 43.20 91.47 49.43 -63.81 -42.79 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 87 K H H 95.51 8.19 24.57 33.02 91.49 50.22 -63.07 -42.42 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 88 N H H 82.73 3.58 26.52 29.71 91.82 48.17 -64.67 -41.55 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 89 A H H 6.52 18.82 20.29 39.61 91.75 49.80 -63.49 -43.52 0.14 0.00 99.86 0.01 0.01 0.09 99.88 0.01 0.00 0.00 0.00 90 C H H 12.64 20.07 20.67 40.23 91.40 49.94 -63.24 -42.54 0.17 0.00 99.83 0.02 0.01 0.10 99.86 0.02 0.00 0.00 0.00 91 N H H 85.74 3.69 25.08 28.51 91.42 50.24 -63.97 -41.46 0.16 0.00 99.84 0.01 0.01 0.10 99.87 0.01 0.00 0.00 0.00 92 S H H 44.91 5.75 23.19 29.30 91.80 49.60 -64.69 -41.83 0.25 0.00 99.75 0.02 0.01 0.16 99.80 0.02 0.00 0.00 0.00 93 I H H 12.18 20.27 17.96 38.24 91.86 50.07 -64.04 -43.28 0.18 0.00 99.82 0.02 0.01 0.11 99.85 0.02 0.00 0.00 0.00 94 I H H 56.94 11.93 19.80 32.02 91.65 50.05 -63.20 -42.16 0.19 0.00 99.81 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 95 N H H 103.61 1.61 22.77 22.47 91.76 49.62 -64.51 -41.02 0.58 0.00 99.42 0.06 0.03 0.38 99.45 0.07 0.00 0.00 0.00 96 K H H 90.41 7.52 19.82 27.90 92.32 48.83 -66.62 -40.55 0.94 0.00 99.05 0.10 0.05 0.64 99.09 0.10 0.00 0.00 0.00 97 L H H 33.29 15.59 15.74 31.55 91.99 51.29 -64.78 -40.79 1.04 0.00 98.96 0.18 0.09 0.61 98.98 0.13 0.00 0.00 0.00 98 G H H 33.93 3.70 19.35 23.44 91.66 52.27 -63.10 -40.72 1.95 0.01 98.04 0.40 0.16 1.17 98.07 0.19 0.00 0.00 0.00 99 A H H 56.89 2.56 19.23 21.28 91.95 50.84 -64.97 -41.05 1.86 0.01 98.14 0.34 0.16 1.14 98.12 0.24 0.00 0.00 0.00 100 L H H 55.73 9.08 16.04 26.35 92.41 50.26 -65.13 -41.66 1.41 0.01 98.58 0.33 0.14 0.79 98.45 0.28 0.00 0.00 0.00 101 K H H 100.65 6.46 16.77 24.28 91.77 51.38 -63.30 -40.97 1.53 0.01 98.46 0.38 0.14 0.85 98.32 0.31 0.00 0.00 0.00 102 T H H 80.34 1.68 18.38 18.73 91.93 49.85 -65.05 -41.12 2.08 0.01 97.91 0.44 0.20 1.27 97.68 0.40 0.00 0.00 0.00 103 N H H 85.76 2.85 17.40 20.40 92.21 49.33 -65.43 -40.56 3.23 0.02 96.75 0.67 0.32 2.01 96.44 0.54 0.00 0.01 0.00 104 F H H 74.65 7.78 14.18 23.40 92.52 49.73 -65.77 -41.06 4.21 0.05 95.75 1.51 0.54 2.15 94.88 0.88 0.00 0.02 0.01 105 E H H 101.83 3.28 16.28 20.21 91.94 51.17 -64.45 -41.10 3.68 0.05 96.27 1.59 0.48 1.67 95.18 1.03 0.00 0.03 0.01 106 T H H 79.45 1.80 16.95 17.92 92.38 49.63 -65.60 -41.39 6.15 0.09 93.76 2.09 0.81 3.33 91.99 1.69 0.01 0.05 0.03 107 E H H 94.09 3.78 15.52 20.14 92.43 49.83 -65.75 -40.48 8.77 0.09 91.15 2.58 1.05 4.97 89.39 1.92 0.01 0.04 0.03 108 W H H 115.01 5.10 14.18 20.58 92.82 49.95 -66.50 -38.72 16.94 0.35 82.70 7.41 2.61 7.31 79.88 2.46 0.01 0.18 0.14 109 N H H 89.02 2.62 15.65 18.63 92.84 53.09 -65.69 -39.14 25.18 0.45 74.37 13.57 2.63 9.13 72.09 2.18 0.01 0.22 0.17 110 L H H 90.42 2.79 14.44 17.93 92.79 52.24 -65.63 -39.41 16.01 0.35 83.64 9.17 2.54 5.16 80.10 2.72 0.01 0.18 0.12 111 Q H H 100.58 3.06 14.29 18.13 93.12 51.32 -66.68 -39.09 12.36 0.52 87.13 7.83 1.89 3.63 83.23 2.95 0.01 0.33 0.14 112 T H H 73.70 2.98 13.60 17.51 93.44 51.10 -67.06 -39.26 12.87 0.82 86.31 7.86 1.98 4.12 81.97 3.28 0.02 0.59 0.19 113 L H H 93.96 2.41 12.77 15.92 93.88 51.45 -67.68 -38.12 14.19 0.83 84.98 7.77 2.46 5.08 80.81 3.08 0.02 0.54 0.23 114 A H H 66.60 2.47 11.69 15.13 95.27 53.00 -69.68 -33.83 21.42 0.80 77.79 10.09 3.78 8.48 74.31 2.60 0.04 0.42 0.29 115 A H H 71.21 2.66 10.34 14.25 97.92 54.57 -75.46 -24.71 34.57 0.59 64.83 13.49 5.99 15.88 61.29 2.77 0.03 0.26 0.29 116 D H H 106.73 2.15 9.74 13.14 99.75 57.88 -78.39 -10.62 48.17 0.67 51.16 17.64 9.62 22.07 45.59 4.38 0.04 0.29 0.36 117 D C H 113.15 1.90 9.23 12.41 101.39 65.22 -79.55 4.55 62.92 0.98 36.10 24.52 11.74 27.73 29.68 5.34 0.03 0.42 0.55 118 A C C 83.97 2.00 8.15 11.56 103.56 86.98 -85.80 10.49 80.03 0.79 19.18 57.39 2.37 20.78 15.15 3.45 0.00 0.40 0.46 119 F C C 140.30 3.90 9.30 14.92 106.41 104.74 -88.85 64.30 99.92 0.05 0.03 99.81 0.08 0.06 0.01 0.00 0.00 0.02 0.01