# 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 117.46 5.41 14.32 21.04 118.57 -153.98 -103.90 128.78 98.32 1.67 0.01 98.50 0.14 0.04 0.00 0.00 0.00 1.25 0.07 1 V C C 67.71 10.14 10.24 21.39 123.62 -168.99 -115.76 137.56 55.90 43.90 0.21 54.74 0.77 0.37 0.09 0.10 0.00 39.73 4.20 2 N C C 113.24 2.66 15.27 18.84 113.24 -142.15 -96.15 120.61 52.72 47.07 0.21 44.38 6.14 1.07 0.06 0.20 0.00 43.70 4.44 3 V C C 55.82 13.67 9.91 23.83 118.29 -162.34 -104.70 130.18 72.11 27.85 0.04 65.29 6.60 0.16 0.01 0.04 0.00 26.51 1.40 4 P C C 50.27 8.22 12.91 23.12 114.71 -110.03 -65.48 149.58 81.24 18.42 0.35 78.81 1.95 0.60 0.07 0.25 0.00 17.16 1.17 5 K C S 153.58 2.63 14.28 18.30 94.93 -132.32 -71.01 -26.79 87.21 12.26 0.53 11.52 63.15 11.95 0.04 0.53 0.00 12.13 0.69 6 T C E 79.91 3.80 15.78 20.59 125.23 36.19 -126.21 147.04 51.06 48.24 0.69 17.89 22.39 12.13 0.05 0.72 0.00 45.89 0.92 7 R E E 97.22 12.16 11.82 24.52 125.69 -170.44 -123.89 141.65 35.17 64.62 0.21 30.32 3.94 0.42 0.03 0.18 0.00 64.32 0.78 8 K E E 102.20 6.89 15.96 24.22 121.67 -144.80 -109.14 139.54 12.55 87.39 0.06 11.83 0.60 0.07 0.01 0.03 0.00 87.04 0.42 9 T E E 54.38 10.78 14.01 26.00 125.59 -160.72 -116.04 145.45 5.52 94.45 0.03 4.96 0.44 0.04 0.01 0.02 0.00 94.24 0.30 10 Y E E 100.98 7.93 14.99 24.38 122.00 -150.41 -112.16 141.86 9.55 90.34 0.11 8.29 1.15 0.18 0.03 0.07 0.00 89.58 0.70 11 C E E 42.53 9.59 10.84 22.33 120.65 -148.84 -110.78 138.48 37.84 61.92 0.24 33.21 3.22 0.49 0.05 0.17 0.00 61.97 0.88 12 S C C 53.52 5.15 12.04 18.97 114.96 -132.35 -78.40 147.79 72.42 20.37 7.21 43.84 13.16 15.66 1.19 5.84 0.01 18.68 1.62 13 N C T 129.62 1.42 11.69 13.69 96.90 -102.55 -67.63 -30.60 87.80 1.61 10.59 19.26 20.09 48.38 1.44 9.27 0.00 0.99 0.57 14 K C T 160.93 1.13 11.46 12.40 99.42 35.44 -81.81 -17.96 87.70 1.32 10.98 16.56 16.48 54.54 1.63 9.47 0.00 0.79 0.51 15 C C T 68.39 5.70 8.32 15.51 106.55 41.88 -98.38 34.82 87.94 4.59 7.46 30.17 17.70 40.82 1.42 5.75 0.00 3.09 1.03 16 K C C 149.50 2.61 12.17 16.13 98.71 -136.50 -71.83 4.33 86.19 12.41 1.40 47.44 17.20 21.36 0.24 1.21 0.00 11.50 1.05 17 K C C 122.33 2.82 14.32 18.35 122.41 97.27 -103.22 143.93 57.07 42.50 0.43 46.65 7.95 1.42 0.09 0.37 0.00 42.22 1.29 18 H E E 84.05 12.43 10.20 23.01 120.23 -134.52 -96.71 139.69 23.38 76.51 0.11 21.58 1.40 0.21 0.03 0.07 0.00 75.48 1.22 19 T E E 58.98 6.67 16.36 24.63 124.48 -167.75 -120.92 141.83 7.88 92.08 0.04 7.27 0.50 0.05 0.01 0.02 0.00 91.46 0.69 20 M E E 101.67 7.86 15.50 24.60 114.72 -113.86 -76.25 137.14 12.05 87.87 0.08 10.83 0.88 0.11 0.02 0.04 0.00 87.65 0.47 21 H E E 53.72 14.13 12.36 27.02 126.93 -168.78 -118.17 148.95 29.65 70.02 0.34 25.69 2.60 0.32 0.13 0.16 0.00 70.66 0.45 22 K E E 125.47 4.13 19.66 24.58 120.17 -133.35 -103.70 137.59 24.68 75.01 0.31 22.28 1.54 0.22 0.15 0.14 0.00 74.75 0.92 23 V E E 44.21 16.72 11.35 27.89 120.66 -150.49 -107.99 135.16 22.85 76.39 0.76 20.74 1.60 0.33 0.54 0.31 0.00 74.81 1.67 24 S E E 49.59 6.54 17.85 25.48 128.27 -170.76 -120.15 152.47 23.43 75.62 0.95 18.71 3.87 0.76 0.47 0.45 0.00 74.86 0.87 25 Q E E 104.84 7.13 14.94 23.52 117.57 -124.12 -96.67 134.14 20.57 77.95 1.48 16.46 3.53 0.83 0.89 0.63 0.00 76.48 1.19 26 Y E E 89.35 11.24 10.41 22.52 119.85 -153.76 -103.53 138.71 28.84 69.96 1.20 25.80 2.25 0.53 0.90 0.50 0.00 67.13 2.89 27 K C C 123.88 3.86 13.41 18.64 116.65 -130.41 -89.43 141.83 63.27 34.18 2.56 48.60 10.86 3.96 1.07 1.60 0.00 31.60 2.31 28 K C T 147.76 3.27 11.25 16.36 110.41 -100.67 -69.62 136.71 81.26 10.14 8.61 19.69 21.75 40.80 2.56 5.37 0.04 8.00 1.79 29 G C T 53.66 2.98 11.35 15.71 107.73 28.09 89.58 -4.74 85.23 4.05 10.72 22.75 24.84 38.82 3.03 6.78 0.02 2.49 1.27 30 K C C 132.87 3.88 10.54 16.02 111.61 76.15 -91.04 126.26 76.44 5.83 17.73 46.74 21.07 9.03 9.22 8.35 0.02 3.24 2.32 31 E C C 120.66 4.72 11.10 17.40 110.27 -132.46 -86.88 128.62 73.81 6.65 19.53 52.84 12.46 7.87 12.38 7.89 0.01 4.38 2.17 32 R C C 131.50 5.60 11.33 18.38 116.49 -138.48 -95.04 135.35 65.71 9.42 24.87 48.35 9.43 7.32 15.93 9.65 0.02 6.48 2.82 33 L C C 101.63 6.53 11.37 19.07 102.54 -137.44 -76.56 -12.52 53.58 9.31 37.11 27.48 11.76 15.28 23.29 13.26 0.18 6.32 2.43 34 S C C 69.82 4.99 11.91 18.32 106.62 60.20 -90.91 46.71 55.65 7.25 37.09 23.99 13.35 19.14 23.00 13.45 0.22 4.77 2.07 35 S C C 67.29 5.00 12.15 18.61 102.56 80.56 -83.12 -0.45 57.52 5.73 36.75 28.41 13.88 15.83 24.36 12.02 0.17 3.51 1.84 36 L C H 97.23 6.14 12.01 19.45 105.95 74.18 -87.80 58.37 59.37 6.15 34.48 22.40 14.61 23.03 25.43 8.40 0.26 3.96 1.92 37 G C C 36.73 7.51 12.88 21.50 116.39 -123.30 77.52 172.72 64.61 6.61 28.79 29.58 15.17 20.35 21.29 7.26 0.13 4.47 1.75 38 R C H 144.35 4.98 13.50 19.80 111.33 -79.77 -90.24 128.18 47.95 11.16 40.89 29.79 10.24 8.98 31.65 8.60 0.11 8.59 2.05 39 R H H 124.92 7.29 12.41 20.95 114.91 -147.31 -92.48 131.13 36.98 19.01 44.01 23.15 7.56 7.72 33.36 9.68 0.21 15.88 2.44 40 R H H 125.48 6.95 13.64 21.71 112.86 -149.62 -92.23 130.29 31.07 23.45 45.48 19.40 6.31 7.08 34.57 10.07 0.20 19.86 2.50 41 Y H H 100.83 9.21 12.07 22.38 114.12 -151.36 -100.03 121.99 31.52 23.15 45.33 19.15 6.84 7.54 35.55 8.81 0.28 19.05 2.79 42 D C H 73.25 6.34 13.01 20.83 110.03 -149.71 -92.98 113.80 43.86 15.54 40.60 29.25 7.51 7.71 32.73 7.60 0.08 13.23 1.89 43 M C H 108.04 6.33 11.68 19.35 100.36 -156.01 -77.93 -6.80 45.30 12.23 42.47 26.12 8.99 11.01 31.88 10.03 0.12 10.01 1.84 44 K C H 139.23 2.70 12.24 16.08 100.79 78.29 -80.46 -8.74 48.21 13.88 37.91 27.26 9.34 12.29 27.81 9.73 0.18 10.79 2.60 45 Q C C 105.76 5.47 9.37 16.39 106.82 86.29 -87.75 72.36 57.71 14.26 28.04 36.52 10.28 10.95 20.73 7.56 0.16 9.73 4.07 46 K C C 143.69 2.90 10.74 15.10 109.91 143.21 -93.44 111.28 71.32 10.75 17.92 36.30 15.53 20.01 12.38 5.45 0.12 6.71 3.49 47 G C T 51.12 2.71 10.39 14.54 116.87 18.94 102.60 -8.04 83.74 5.02 11.24 27.96 24.67 32.33 4.00 6.31 0.03 2.88 1.83 48 F C T 151.96 2.97 9.25 13.61 107.75 -39.01 -90.90 95.89 80.20 6.42 13.39 22.55 22.93 35.79 3.62 8.71 0.05 3.45 2.90 49 G C T 58.44 1.88 11.01 13.76 105.88 6.90 74.73 8.98 85.60 4.72 9.68 20.33 24.09 41.60 1.74 7.63 0.02 2.85 1.75 50 G C C 51.22 3.55 10.31 15.49 110.35 -42.71 79.69 127.22 85.83 7.35 6.82 36.13 27.09 23.18 1.07 5.86 0.01 4.53 2.14 51 Q C C 115.49 4.28 10.23 16.16 114.44 -80.90 -89.61 134.48 81.66 14.88 3.46 57.85 17.75 5.60 1.09 2.61 0.01 9.33 5.77 52 T C C 93.87 4.37 10.62 16.66 108.57 -161.36 -95.67 62.61 79.76 18.67 1.57 58.06 18.30 2.93 0.61 1.13 0.00 13.18 5.79 53 K C C 127.20 4.09 11.48 17.24 118.64 135.21 -102.12 135.88 80.96 18.64 0.40 62.29 18.20 0.77 0.20 0.25 0.00 15.92 2.38 54 P C C 84.85 5.64 11.07 18.47 113.84 -108.63 -67.90 145.62 72.01 26.82 1.17 66.69 3.73 1.08 0.67 0.57 0.00 20.66 6.61 55 V C C 92.52 6.03 10.28 17.93 114.51 -139.60 -95.85 131.94 74.59 21.85 3.56 54.16 17.09 3.28 2.37 1.45 0.01 16.98 4.65 56 F C C 128.94 5.35 9.88 16.84 118.23 -146.28 -104.14 136.27 68.14 27.17 4.69 49.81 14.89 3.33 3.12 1.93 0.02 20.13 6.76 57 K C C 138.75 3.69 10.29 16.00 116.42 -156.19 -102.23 131.61 74.97 18.91 6.12 61.79 9.18 3.65 3.86 2.57 0.00 15.32 3.63 58 K C C 136.12 4.07 10.00 15.90 115.38 -145.52 -92.19 136.87 75.32 11.56 13.12 50.08 16.32 8.91 7.67 5.55 0.02 8.39 3.06 59 K C C 141.67 3.51 11.19 16.48 113.25 -127.37 -89.12 133.62 74.02 9.17 16.81 46.67 17.16 10.55 8.90 7.76 0.03 5.98 2.95 60 A C C 65.04 6.66 9.69 17.85 114.00 -122.98 -81.35 141.61 73.06 7.57 19.37 49.99 13.68 9.77 9.09 10.09 0.02 4.89 2.47 61 K C C 135.56 4.09 12.39 18.00 110.94 -131.78 -89.76 125.91 73.81 9.25 16.94 49.81 13.99 10.32 7.67 9.03 0.02 6.03 3.12 62 T C C 82.75 6.54 11.96 19.79 112.97 -152.09 -95.73 124.05 75.54 11.11 13.35 44.60 18.14 13.31 6.18 6.90 0.06 6.95 3.86 63 T C C 76.48 6.99 13.08 21.23 111.01 -152.49 -98.50 93.26 79.58 13.34 7.08 48.63 19.98 11.35 3.20 3.91 0.02 9.17 3.73 64 K C C 106.82 7.87 15.02 23.90 115.84 86.30 -95.35 133.16 82.45 16.46 1.09 49.09 30.62 3.45 0.31 0.77 0.00 14.21 1.54 65 K C C 89.94 10.11 16.74 27.46 121.87 -142.96 -102.39 140.96 56.09 43.67 0.23 47.16 6.92 0.67 0.05 0.18 0.00 44.08 0.93 66 I E E 30.65 16.03 16.10 33.04 119.40 -145.22 -106.69 132.14 9.99 90.00 0.01 9.69 0.33 0.02 0.00 0.01 0.00 89.61 0.34 67 V E E 35.88 11.36 20.93 33.68 119.19 -156.26 -109.91 130.32 2.07 97.93 0.00 1.92 0.06 0.00 0.00 0.00 0.00 97.99 0.03 68 L E E 17.34 19.25 17.44 37.34 119.97 -159.95 -109.49 132.93 0.44 99.56 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.00 69 K E E 65.31 10.48 22.82 33.96 118.71 -160.80 -109.12 128.53 0.29 99.71 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.74 0.00 70 L E E 16.04 19.99 16.69 36.97 124.19 -165.37 -115.52 138.55 0.37 99.63 0.00 0.29 0.03 0.00 0.00 0.00 0.00 99.68 0.00 71 E E E 67.27 7.63 21.37 30.14 117.61 -147.90 -107.39 127.56 1.12 98.88 0.00 1.04 0.07 0.00 0.00 0.00 0.00 98.82 0.06 72 C E E 12.83 16.52 11.12 29.20 109.29 -129.58 -82.04 120.29 26.52 73.46 0.03 25.00 0.96 0.07 0.00 0.02 0.00 73.40 0.54 73 T C T 82.30 4.25 15.97 21.60 94.44 -160.56 -71.71 -28.63 99.01 0.51 0.48 0.92 11.09 87.04 0.02 0.47 0.00 0.37 0.09 74 K C T 141.32 2.12 14.62 17.19 97.99 47.13 -76.92 -40.40 99.30 0.11 0.58 0.23 5.40 93.78 0.02 0.48 0.00 0.05 0.04 75 C C T 67.15 4.65 12.16 18.34 101.13 22.02 -104.43 -8.43 99.42 0.17 0.41 1.12 6.00 92.33 0.02 0.39 0.00 0.10 0.04 76 K C C 149.12 3.12 12.88 17.86 94.65 -126.67 62.47 25.05 97.37 2.23 0.39 60.64 6.76 29.93 0.08 0.33 0.00 1.76 0.50 77 K C C 101.22 4.36 13.57 19.77 122.93 132.53 -94.76 149.08 71.61 28.33 0.06 68.58 1.95 0.30 0.01 0.04 0.00 28.55 0.56 78 K E E 112.74 9.60 12.48 23.39 121.86 -139.41 -108.00 137.77 4.74 95.24 0.01 4.55 0.18 0.02 0.00 0.01 0.00 94.97 0.27 79 R E E 99.83 7.58 16.40 25.65 131.72 -176.55 -135.73 149.98 1.18 98.80 0.01 1.14 0.05 0.01 0.00 0.01 0.00 98.75 0.04 80 F E E 106.71 11.41 14.38 26.41 121.55 -134.53 -106.90 134.84 4.66 95.28 0.06 4.28 0.28 0.05 0.01 0.04 0.00 95.21 0.15 81 Q E E 61.35 10.43 15.40 27.21 124.72 -172.75 -122.98 141.23 24.93 75.00 0.07 23.25 0.93 0.08 0.01 0.05 0.00 75.48 0.20 82 T E E 82.29 5.78 18.21 24.91 114.86 -115.52 -79.93 136.59 30.01 69.86 0.13 28.19 1.04 0.13 0.05 0.08 0.00 69.71 0.81 83 M C C 39.63 18.57 11.29 29.19 124.25 -164.67 -112.85 140.42 51.56 48.05 0.39 48.32 2.33 0.33 0.15 0.22 0.00 46.77 1.88 84 K C C 124.27 4.05 19.89 24.61 118.34 -137.02 -95.59 142.36 57.41 41.79 0.80 44.44 11.88 1.53 0.22 0.58 0.00 40.02 1.34 85 R C C 120.25 9.82 16.03 26.40 115.87 -101.81 -77.16 138.37 52.33 45.84 1.83 41.91 8.84 2.02 0.75 1.21 0.01 40.45 4.82 86 C C C 32.62 15.54 11.20 26.93 122.70 -154.12 -109.33 145.78 49.89 48.07 2.04 45.32 2.95 0.87 0.91 1.19 0.00 42.10 6.66 87 K C S 136.26 3.47 17.27 21.74 98.95 -156.04 -84.99 -28.22 66.90 31.28 1.83 18.65 42.58 6.39 0.41 1.19 0.01 29.60 1.17 88 T C E 71.53 5.09 18.66 24.81 134.03 7.00 -145.94 146.80 49.23 49.04 1.73 25.91 20.15 5.17 0.36 1.25 0.00 46.08 1.07 89 F E E 67.02 16.56 11.73 27.91 125.65 -165.68 -128.01 136.63 43.15 54.47 2.37 39.52 2.69 0.84 1.25 1.20 0.00 51.08 3.42 90 E E E 98.81 5.53 17.42 24.12 117.92 -157.35 -112.28 128.18 48.85 49.33 1.82 45.07 2.48 1.05 1.03 0.86 0.00 45.74 3.76 91 M C C 90.29 10.16 12.27 23.30 115.11 -149.20 -90.86 133.47 64.28 30.12 5.60 35.29 14.43 16.59 2.05 3.28 0.04 25.79 2.52 92 G C S 44.91 4.45 14.73 20.11 105.47 19.20 81.58 -16.49 79.62 9.12 11.26 27.01 27.08 26.76 4.60 5.83 0.07 6.78 1.87 93 A C S 63.16 5.54 12.00 18.86 105.35 65.41 -82.04 20.51 68.21 3.92 27.87 22.90 24.55 22.22 14.26 12.11 0.10 2.37 1.49 94 D C C 91.62 4.78 11.64 17.76 102.90 60.25 -83.75 30.04 60.48 5.02 34.49 30.48 13.94 16.67 19.46 14.61 0.07 3.13 1.63 95 K C C 126.27 5.05 10.56 17.19 101.20 107.77 -79.19 -6.44 52.15 7.17 40.67 28.90 12.25 11.92 24.84 15.24 0.11 4.72 2.02 96 K C C 146.00 2.51 11.47 15.30 101.85 71.09 -81.03 1.31 55.79 7.66 36.54 34.09 11.39 10.86 23.98 12.31 0.08 5.21 2.09 97 K C C 135.45 3.65 9.91 15.30 111.17 91.95 -90.92 118.58 63.46 7.62 28.92 40.27 11.91 11.49 19.22 9.69 0.07 4.88 2.47 98 K C C 145.86 3.00 9.52 14.31 111.19 -129.43 -89.08 118.25 73.65 5.46 20.89 33.61 13.83 26.92 13.76 6.61 0.07 3.17 2.04 99 G C T 53.73 3.03 10.13 14.82 112.13 -21.09 77.28 16.89 82.62 3.39 14.00 29.97 18.53 35.01 6.45 6.82 0.02 1.98 1.22 100 G C C 51.48 3.47 10.18 15.19 115.18 -134.20 -96.02 159.92 80.72 7.27 12.01 43.17 20.22 18.34 3.73 7.77 0.02 4.82 1.93 101 A C C 79.66 3.65 8.73 14.13 113.51 -112.64 -88.71 134.50 74.45 16.81 8.74 49.43 14.86 10.41 2.94 5.76 0.02 12.91 3.67 102 V C C 110.73 3.23 8.67 13.65 110.55 -152.36 -94.29 112.55 75.98 19.15 4.87 65.62 3.66 5.92 2.10 2.48 0.00 14.76 5.46 103 Y C C 146.35 5.69 10.77 17.84 114.40 -156.38 -101.00 119.30 98.69 1.27 0.03 98.71 0.20 0.08 0.01 0.01 0.00 0.88 0.10