# 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 F C C 103.38 10.43 12.01 23.02 116.62 -159.55 -97.26 135.73 99.86 0.13 0.01 99.83 0.07 0.02 0.00 0.00 0.00 0.06 0.01 1 R C C 139.64 5.01 12.26 19.06 118.76 -156.10 -103.07 135.95 91.10 8.22 0.68 90.56 0.63 0.73 0.25 0.23 0.00 5.74 1.87 2 K C C 140.21 3.81 12.46 18.19 114.69 -140.33 -93.71 129.90 84.28 14.44 1.29 71.03 10.25 2.42 0.47 0.86 0.00 11.23 3.74 3 F C C 85.69 11.36 10.50 22.53 120.96 -161.79 -108.55 138.21 78.77 19.66 1.56 68.99 7.26 1.78 0.67 0.95 0.00 14.67 5.68 4 T C C 73.06 6.40 14.54 22.53 125.29 -165.24 -121.11 142.60 75.45 22.91 1.64 64.90 7.73 1.90 0.67 1.04 0.00 19.37 4.40 5 Y E E 85.24 12.96 11.07 24.31 117.43 -165.15 -114.26 122.17 47.20 48.33 4.47 24.64 13.22 8.64 1.91 2.76 0.34 26.08 22.40 6 R C T 151.74 5.55 13.82 20.79 96.41 -20.38 49.71 42.15 93.32 3.24 3.44 5.52 13.72 74.18 0.70 2.57 0.01 2.22 1.09 7 G C T 59.65 1.84 14.50 16.61 96.65 -51.93 82.76 1.67 96.30 1.25 2.45 6.09 17.63 72.68 0.35 2.01 0.00 0.89 0.35 8 V C C 49.80 11.11 9.63 21.97 121.25 114.37 -103.31 139.24 52.56 46.37 1.08 32.96 19.26 1.50 0.77 0.44 0.02 19.96 25.11 9 D C C 78.77 2.89 17.55 20.37 115.51 -117.46 -76.92 146.99 87.01 12.47 0.51 85.89 1.41 0.33 0.34 0.12 0.00 9.76 2.15 10 L H H 68.12 13.52 10.73 24.39 92.49 -122.62 -58.78 -37.60 4.35 0.03 95.61 0.86 0.49 2.84 91.04 4.72 0.01 0.02 0.01 11 D H H 102.57 1.86 16.63 18.34 91.74 55.01 -64.73 -37.29 2.50 0.02 97.49 0.25 0.19 1.93 92.24 5.37 0.00 0.01 0.00 12 Q H H 93.31 3.12 16.55 20.13 92.30 49.22 -67.23 -37.71 1.24 0.01 98.75 0.13 0.09 0.92 93.62 5.24 0.00 0.01 0.00 13 L H H 20.46 18.02 10.76 28.62 92.08 53.10 -65.27 -39.15 2.15 0.01 97.84 0.21 0.15 1.61 92.04 5.98 0.00 0.01 0.00 14 L H H 81.82 8.94 14.80 24.76 91.18 56.00 -68.43 -23.36 34.62 0.03 65.35 0.40 0.61 35.18 59.70 4.05 0.02 0.01 0.03 15 D C T 119.03 0.99 17.57 16.96 93.68 56.27 -87.21 -4.09 67.35 0.03 32.62 0.66 1.29 66.64 28.80 2.58 0.00 0.01 0.03 16 M C S 44.06 14.07 8.00 22.29 120.94 102.60 -80.70 148.56 98.71 0.82 0.48 23.42 74.68 0.58 0.41 0.07 0.00 0.19 0.65 17 S C C 59.82 2.05 18.28 19.27 119.51 -109.58 -72.22 161.38 96.59 3.24 0.16 96.75 0.33 0.05 0.11 0.01 0.00 0.55 2.19 18 Y H H 132.70 8.31 11.92 21.38 91.33 -106.56 -58.58 -38.69 0.95 0.00 99.04 0.16 0.12 0.53 98.90 0.29 0.00 0.00 0.00 19 E H H 132.47 1.43 17.03 17.78 91.65 53.69 -63.94 -40.40 0.29 0.00 99.71 0.02 0.02 0.20 99.51 0.24 0.00 0.00 0.00 20 Q H H 78.20 5.77 16.23 23.25 91.68 48.89 -65.67 -40.18 0.13 0.00 99.87 0.01 0.01 0.08 99.64 0.26 0.00 0.00 0.00 21 L H H 31.69 15.07 13.56 29.28 91.80 51.06 -63.79 -41.92 0.09 0.00 99.91 0.01 0.00 0.05 99.85 0.09 0.00 0.00 0.00 22 M H H 81.13 6.06 18.50 25.23 91.39 50.68 -63.77 -40.92 0.20 0.00 99.80 0.01 0.00 0.15 99.73 0.11 0.00 0.00 0.00 23 Q H H 100.47 3.22 20.63 23.76 91.82 50.41 -65.12 -40.90 0.99 0.00 99.01 0.03 0.03 0.94 98.73 0.27 0.00 0.00 0.00 24 L H H 35.15 12.93 17.56 31.30 92.18 49.68 -64.89 -41.98 1.77 0.00 98.23 0.13 0.09 1.43 97.91 0.44 0.00 0.00 0.00 25 Y H H 75.00 10.43 19.40 30.37 91.95 49.77 -64.58 -41.46 3.52 0.02 96.46 0.72 0.41 2.20 96.01 0.63 0.00 0.01 0.01 26 S H H 49.04 4.44 20.44 25.05 92.17 50.28 -64.99 -40.90 7.02 0.05 92.93 1.67 0.63 4.41 92.32 0.92 0.01 0.02 0.02 27 A H H 32.27 7.47 17.93 27.08 92.34 52.21 -64.02 -41.37 4.56 0.04 95.40 1.16 0.56 2.70 94.25 1.28 0.01 0.01 0.01 28 R H H 87.81 10.04 17.93 28.54 92.45 50.59 -65.00 -40.56 3.75 0.04 96.21 0.97 0.45 2.22 94.75 1.57 0.01 0.02 0.01 29 Q H H 81.44 6.37 18.25 25.19 92.25 51.06 -64.84 -40.16 4.81 0.05 95.14 1.20 0.54 2.94 93.06 2.20 0.01 0.03 0.02 30 R H H 123.46 4.06 18.13 22.67 92.19 51.09 -65.95 -38.69 8.53 0.08 91.38 1.95 0.98 5.51 88.53 2.93 0.02 0.04 0.03 31 R H H 97.19 8.41 15.89 25.22 93.28 52.95 -68.17 -35.22 17.38 0.27 82.35 4.92 2.38 10.58 77.46 4.36 0.04 0.14 0.12 32 R H H 116.26 7.77 16.02 24.63 93.64 56.43 -67.15 -34.58 27.35 0.80 71.85 10.86 4.33 13.70 64.81 5.47 0.06 0.42 0.36 33 L H H 96.03 5.53 15.60 21.84 95.35 54.28 -75.16 -19.26 39.42 1.29 59.29 17.31 7.46 16.54 52.40 4.98 0.07 0.61 0.62 34 N C H 86.59 6.52 14.22 21.95 102.94 65.79 -88.98 37.35 60.66 1.22 38.12 31.64 9.58 19.54 34.07 4.03 0.02 0.51 0.63 35 R C T 128.93 6.67 13.91 21.86 103.73 141.51 -76.97 51.10 60.65 0.94 38.41 15.43 12.04 33.58 32.67 5.26 0.08 0.40 0.55 36 G C T 35.02 6.85 16.28 24.11 102.69 -9.92 75.18 -28.04 61.93 0.78 37.28 17.80 11.41 33.07 31.46 5.44 0.04 0.34 0.44 37 L H H 52.53 13.56 12.52 26.20 98.85 70.13 -76.12 -13.69 42.81 1.13 56.05 29.38 6.19 8.45 49.54 5.42 0.01 0.55 0.46 38 R H H 125.05 6.78 15.86 23.77 95.16 69.17 -66.49 -39.21 27.51 1.13 71.36 17.61 4.51 7.24 64.74 4.87 0.02 0.62 0.38 39 R H H 150.05 2.73 17.35 20.39 93.78 51.13 -67.03 -38.04 18.22 0.63 81.15 9.69 3.30 6.61 75.21 4.58 0.02 0.37 0.20 40 K H H 102.78 6.25 17.89 24.97 93.57 50.94 -67.87 -38.21 14.13 0.36 85.52 8.04 2.48 4.61 81.32 3.22 0.01 0.20 0.12 41 Q H H 42.15 16.62 15.23 31.43 92.59 52.27 -64.52 -40.19 10.66 0.19 89.15 6.06 1.42 3.49 87.03 1.83 0.00 0.09 0.07 42 H H H 91.72 6.61 19.68 26.96 92.09 52.63 -64.67 -39.51 5.42 0.06 94.52 2.41 0.74 2.26 93.54 1.01 0.00 0.03 0.02 43 S H H 48.26 3.61 21.65 25.15 91.74 51.86 -63.92 -41.21 2.70 0.03 97.28 1.09 0.32 1.19 96.89 0.49 0.00 0.01 0.01 44 L H H 19.73 16.38 18.23 35.12 91.99 50.53 -64.79 -42.62 1.03 0.01 98.96 0.32 0.10 0.51 98.84 0.23 0.00 0.00 0.00 45 L H H 29.65 16.16 18.47 34.73 91.65 50.93 -63.22 -41.65 0.53 0.00 99.47 0.13 0.04 0.27 99.44 0.11 0.00 0.00 0.00 46 K H H 113.92 2.49 24.09 25.40 91.39 50.63 -63.62 -41.63 0.34 0.00 99.65 0.07 0.02 0.19 99.66 0.06 0.00 0.00 0.00 47 R H H 98.71 6.92 21.92 29.25 91.66 49.26 -64.89 -41.27 0.26 0.00 99.74 0.03 0.01 0.16 99.73 0.06 0.00 0.00 0.00 48 L H H 9.57 21.60 15.76 37.48 91.77 50.53 -64.19 -42.24 0.23 0.00 99.77 0.03 0.01 0.15 99.73 0.08 0.00 0.00 0.00 49 R H H 105.81 7.19 21.17 28.87 91.48 51.53 -63.26 -41.45 0.38 0.00 99.62 0.04 0.02 0.27 99.58 0.09 0.00 0.00 0.00 50 K H H 110.11 1.99 22.88 22.95 91.73 49.99 -64.46 -41.66 0.82 0.00 99.18 0.07 0.05 0.61 99.09 0.17 0.00 0.00 0.00 51 A H H 14.06 13.39 15.05 30.10 91.74 51.18 -64.12 -40.76 1.04 0.00 98.96 0.12 0.06 0.71 98.70 0.39 0.00 0.00 0.00 52 K H H 76.61 14.17 14.74 28.64 91.52 53.04 -64.24 -37.52 2.51 0.00 97.48 0.23 0.15 1.94 95.81 1.86 0.00 0.00 0.00 53 K H H 156.10 1.19 18.35 18.47 92.30 52.77 -69.67 -29.78 11.35 0.02 88.63 0.38 0.49 10.43 86.96 1.72 0.01 0.00 0.01 54 E H H 135.49 1.89 16.41 18.00 96.50 46.22 -91.83 -8.89 31.95 0.08 67.97 1.69 2.70 26.69 67.27 1.52 0.03 0.02 0.06 55 A C S 23.01 16.26 6.61 21.76 120.44 99.27 -82.24 148.59 99.73 0.19 0.08 22.46 77.09 0.19 0.05 0.01 0.00 0.03 0.17 56 P C C 72.55 2.69 14.81 18.06 117.07 -104.17 -65.01 151.79 99.80 0.13 0.07 98.13 1.42 0.24 0.02 0.03 0.00 0.03 0.13 57 P C T 112.71 2.60 10.80 15.19 95.84 -92.85 -60.11 -26.80 96.95 0.06 2.99 0.84 4.43 90.89 0.05 3.73 0.00 0.03 0.03 58 M C T 157.22 0.93 12.49 13.08 95.81 38.57 -77.84 -1.47 96.29 0.09 3.61 0.89 4.26 90.14 0.06 4.57 0.00 0.06 0.03 59 E C C 100.19 5.76 11.32 18.92 118.09 94.71 -97.83 138.40 92.43 2.49 5.08 44.36 41.40 4.77 0.34 6.01 0.00 0.88 2.24 60 K C C 131.49 4.96 15.03 21.81 116.26 -138.17 -89.94 132.88 99.07 0.85 0.08 91.93 6.98 0.22 0.02 0.05 0.00 0.35 0.45 61 P C C 33.22 18.63 11.38 29.34 116.70 -110.54 -67.09 150.25 98.65 1.14 0.21 94.23 3.82 0.73 0.03 0.18 0.00 0.68 0.33 62 E C C 109.02 5.65 22.18 28.07 114.39 -111.83 -79.48 138.69 90.88 8.69 0.42 70.06 19.41 1.33 0.06 0.47 0.00 7.80 0.87 63 V C E 52.40 16.07 17.36 32.94 118.45 -128.78 -92.51 133.66 50.78 49.01 0.21 45.54 4.62 0.34 0.05 0.18 0.00 47.38 1.90 64 V E E 16.18 20.08 17.07 37.43 119.76 -158.82 -107.78 132.17 14.29 85.65 0.06 13.94 0.53 0.05 0.03 0.03 0.00 82.60 2.82 65 K E E 100.23 8.86 24.56 33.91 117.47 -146.19 -96.76 133.18 16.97 82.98 0.05 16.32 0.72 0.07 0.02 0.03 0.00 81.18 1.66 66 T C C 13.32 22.75 14.72 37.02 128.85 -168.24 -125.10 147.32 60.58 39.05 0.37 55.93 3.05 0.55 0.09 0.27 0.00 38.29 1.82 67 H C C 83.33 8.93 22.98 32.36 102.50 -150.45 -94.43 10.87 81.49 16.71 1.80 45.76 29.70 6.71 0.30 1.67 0.00 14.05 1.81 68 L C C 35.19 18.15 16.81 34.26 107.95 71.44 -96.13 96.20 84.87 6.94 8.19 52.92 19.51 11.90 1.24 7.83 0.00 4.67 1.93 69 R C T 111.05 11.57 18.76 30.34 95.68 135.67 -72.39 -29.57 78.89 4.10 17.01 19.55 19.26 40.40 1.62 15.35 0.01 2.63 1.19 70 D C T 82.91 7.64 21.20 29.27 96.54 49.48 -90.64 5.01 80.30 3.08 16.62 18.21 21.32 40.97 1.47 15.14 0.00 2.08 0.81 71 M C C 31.14 19.87 15.57 34.95 123.21 103.98 -103.90 141.31 78.69 11.40 9.91 58.60 14.82 5.14 1.64 8.83 0.00 8.56 2.42 72 I C C 59.22 11.99 24.02 36.13 114.65 -138.58 -98.24 124.47 65.71 32.81 1.47 51.86 11.42 1.57 0.65 0.99 0.01 24.02 9.48 73 I C C 21.91 22.44 17.25 39.45 115.76 -151.00 -98.48 125.17 56.27 43.38 0.35 50.21 5.73 0.36 0.21 0.17 0.00 22.58 20.73 74 L C C 34.78 14.33 20.84 35.57 113.93 -159.86 -101.93 119.54 99.28 0.68 0.04 98.80 0.69 0.03 0.01 0.01 0.00 0.37 0.09 75 P H G 59.07 12.24 18.17 31.11 91.84 -138.34 -60.48 -29.97 11.31 0.13 88.56 1.50 1.04 7.42 2.04 87.88 0.00 0.11 0.01 76 E H G 107.12 7.14 21.33 29.32 89.82 65.18 -68.10 -18.71 10.23 0.09 89.68 0.42 0.69 8.40 1.54 88.88 0.00 0.07 0.01 77 M H G 9.38 22.91 15.22 38.83 94.38 56.56 -92.08 -6.39 10.06 0.11 89.83 1.19 0.98 6.35 1.35 90.05 0.00 0.07 0.01 78 V C T 50.70 15.50 17.03 32.83 112.30 114.87 -62.87 131.96 96.46 0.84 2.70 0.68 1.62 95.25 0.42 1.19 0.00 0.29 0.55 79 G C T 40.71 5.13 22.69 28.93 95.17 22.45 86.06 -3.99 99.42 0.21 0.37 0.42 2.15 97.03 0.02 0.22 0.00 0.15 0.02 80 S C C 14.83 18.14 17.05 35.75 120.39 129.37 -78.01 152.87 95.53 4.44 0.03 88.41 6.76 0.15 0.00 0.03 0.00 4.48 0.16 81 M E E 55.44 11.92 25.45 37.91 118.24 -131.37 -104.13 130.92 1.50 98.50 0.00 1.52 0.05 0.00 0.00 0.00 0.00 98.13 0.30 82 V E E 3.61 25.58 19.89 45.98 123.80 -169.42 -118.85 134.53 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.01 83 G E E 6.83 16.00 25.76 42.16 122.57 -149.24 -104.13 143.63 0.14 99.86 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 84 V E E 8.02 21.92 21.11 43.19 121.70 -157.55 -117.74 131.07 0.40 99.60 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.59 0.01 85 Y E E 45.42 14.35 19.46 34.57 116.73 -160.65 -110.72 124.64 6.67 93.31 0.03 5.54 0.72 0.09 0.00 0.02 0.00 93.43 0.20 86 N E E 61.40 9.54 18.03 28.90 103.28 176.96 -110.06 36.76 41.57 57.57 0.86 20.36 12.88 9.92 0.08 0.92 0.00 55.04 0.81 87 G C T 40.00 8.07 15.47 24.05 99.47 -91.12 75.11 -18.62 98.61 0.43 0.95 2.60 30.48 65.44 0.03 1.07 0.00 0.30 0.09 88 K C T 154.73 1.70 16.10 17.86 104.22 29.19 -103.23 -22.32 98.72 0.56 0.72 2.50 36.69 59.57 0.02 0.73 0.00 0.39 0.09 89 T E E 83.21 2.70 17.54 20.72 128.23 35.78 -129.17 146.52 26.78 73.13 0.09 18.12 8.90 0.74 0.02 0.09 0.00 70.75 1.38 90 F E E 85.64 16.40 11.04 26.67 120.03 -140.29 -101.96 135.52 9.88 90.11 0.01 8.91 0.58 0.04 0.00 0.01 0.00 90.15 0.31 91 N E E 66.20 7.65 19.17 27.88 126.58 -173.00 -126.14 142.54 6.24 93.75 0.00 5.36 0.36 0.02 0.00 0.00 0.00 94.21 0.04 92 Q E E 102.29 9.85 17.40 28.24 117.30 -134.92 -95.22 133.01 2.19 97.81 0.00 2.03 0.05 0.00 0.00 0.00 0.00 97.90 0.02 93 V E E 26.13 16.74 15.64 32.85 127.25 -174.59 -127.43 140.87 0.79 99.21 0.00 0.80 0.01 0.00 0.00 0.00 0.00 99.18 0.01 94 E E E 105.96 5.91 23.74 30.23 115.34 -132.92 -89.14 131.67 0.69 99.31 0.00 0.69 0.01 0.00 0.00 0.00 0.00 99.26 0.04 95 I E E 10.19 24.46 11.55 36.19 117.28 -150.46 -100.71 128.56 20.85 79.15 0.00 20.95 0.20 0.01 0.00 0.00 0.00 78.24 0.60 96 K C C 93.37 4.74 23.73 28.27 126.85 -168.60 -118.21 153.69 99.07 0.88 0.05 98.63 0.63 0.04 0.01 0.02 0.00 0.62 0.05 97 P H G 66.97 13.39 13.78 27.32 91.53 -108.61 -58.81 -32.40 7.94 0.06 92.00 0.66 0.69 5.57 2.03 90.99 0.00 0.05 0.00 98 E H G 139.56 2.18 19.53 21.90 89.73 63.00 -68.37 -16.98 7.08 0.04 92.88 0.41 0.50 5.34 2.07 91.66 0.00 0.03 0.00 99 M H G 38.07 16.38 14.31 31.08 94.73 57.29 -91.30 -4.33 8.10 0.12 91.78 1.58 1.07 4.28 2.21 90.76 0.00 0.09 0.01 100 I C T 45.08 18.05 14.06 31.97 113.39 113.58 -65.26 134.79 83.33 4.96 11.71 14.26 10.78 58.29 5.52 5.74 0.06 2.27 3.08 101 G C T 32.56 9.92 20.26 30.70 95.68 20.66 82.68 -3.27 86.96 2.47 10.57 11.29 12.88 62.55 4.91 5.71 0.04 1.41 1.21 102 H C C 77.05 10.34 19.41 30.32 96.14 118.93 -69.38 -34.42 58.31 4.58 37.11 24.57 12.50 21.72 17.20 19.08 0.15 2.38 2.38 103 Y H G 79.59 13.39 20.15 32.96 97.35 47.14 -77.53 -23.00 42.81 10.66 46.53 12.35 8.44 21.70 22.40 22.75 1.49 5.91 4.97 104 L H G 36.58 19.53 16.14 34.64 105.05 61.29 -68.86 110.38 43.00 4.38 52.63 5.47 6.88 28.36 23.75 30.24 0.62 3.01 1.68 105 G C T 33.03 10.46 19.14 29.52 96.50 30.29 45.80 -18.58 52.24 2.47 45.29 7.77 8.61 33.88 20.29 26.56 0.20 1.48 1.21 106 E C T 91.58 8.42 18.83 27.70 96.67 73.43 -75.35 -22.99 59.61 3.56 36.83 19.70 14.96 25.68 15.73 20.11 0.13 1.73 1.96 107 F C C 77.78 13.96 14.76 28.25 102.26 54.46 -89.04 -4.74 64.88 5.72 29.40 26.72 17.43 21.82 12.56 15.54 0.14 2.80 3.00 108 S C C 50.42 10.91 15.40 26.63 102.72 74.37 -81.06 -5.30 69.16 7.35 23.49 35.46 18.80 16.00 9.37 13.32 0.07 4.14 2.84 109 I C C 91.24 8.31 14.85 24.06 104.62 59.48 -87.52 36.38 70.76 11.60 17.65 45.41 14.36 11.17 7.50 10.03 0.04 7.24 4.24 110 T C C 70.56 9.05 13.23 23.15 106.37 80.38 -93.72 19.60 79.53 11.39 9.07 57.85 13.64 7.68 4.11 5.08 0.01 7.55 4.07 111 Y C C 121.73 8.51 11.48 21.05 116.41 94.24 -101.83 128.83 84.76 12.08 3.16 55.31 25.50 4.09 1.47 1.72 0.01 6.50 5.41 112 K C C 139.60 2.82 13.80 18.16 118.07 -145.11 -99.04 134.78 92.42 7.31 0.27 69.85 22.48 0.66 0.10 0.17 0.00 5.31 1.43 113 P C C 89.66 5.99 10.62 18.50 113.40 -107.20 -67.07 144.58 86.86 11.61 1.52 75.89 8.23 2.25 0.59 0.93 0.00 7.82 4.28 114 V C C 87.19 6.66 9.18 17.54 116.39 -131.33 -95.67 134.99 86.19 11.54 2.27 71.49 10.75 3.20 0.83 1.51 0.00 6.72 5.50 115 K C C 156.63 1.86 11.33 14.65 114.00 -142.10 -94.13 126.57 87.73 9.50 2.77 70.65 11.78 4.64 0.83 2.06 0.00 5.82 4.22 116 H C C 132.14 4.74 7.85 14.30 111.08 -160.34 -93.39 116.49 89.79 7.15 3.05 41.26 20.74 28.62 0.61 2.40 0.00 4.15 2.23 117 G C C 56.22 2.05 9.78 13.19 112.91 -57.57 97.19 116.67 95.65 2.96 1.40 41.46 27.36 27.02 0.19 1.35 0.00 1.64 0.98 118 R C C 170.68 1.98 9.17 12.87 118.23 -82.01 -98.58 139.03 98.92 1.03 0.05 94.55 4.30 0.23 0.01 0.02 0.00 0.45 0.43 119 P C C 96.00 4.45 10.98 17.26 111.73 -100.84 -67.69 146.71 99.92 0.07 0.01 99.76 0.14 0.05 0.00 0.00 0.00 0.03 0.01