# 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 49.59 15.15 20.13 34.97 119.96 -160.26 -107.77 138.81 98.82 1.17 0.00 98.59 0.29 0.03 0.00 0.00 0.00 1.06 0.02 1 Y E E 54.05 14.40 21.33 35.78 129.72 -169.12 -124.50 146.80 7.15 92.85 0.00 6.96 0.17 0.01 0.00 0.00 0.00 92.71 0.16 2 A E E 5.67 21.43 19.82 41.44 127.94 -165.59 -125.78 144.39 0.54 99.46 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.49 0.00 3 V E E 20.58 14.73 24.82 40.23 117.88 -146.27 -107.33 127.56 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 4 I E E 6.73 23.09 18.81 42.17 123.45 -169.19 -117.92 135.22 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 5 Q E E 60.10 9.64 22.41 32.89 115.49 -149.38 -105.10 124.57 1.08 98.92 0.00 0.85 0.04 0.00 0.00 0.00 0.00 99.09 0.01 6 S E E 21.19 17.43 12.86 30.06 120.83 172.35 -133.99 121.51 10.25 89.64 0.11 6.80 2.24 0.75 0.01 0.12 0.00 89.87 0.20 7 G C T 54.95 3.67 15.77 20.57 95.65 -18.62 57.84 35.10 99.30 0.37 0.33 0.41 6.62 92.29 0.00 0.38 0.00 0.26 0.03 8 G C T 62.82 1.41 14.77 16.23 96.82 -43.79 81.27 1.02 99.58 0.15 0.27 0.49 7.13 91.94 0.01 0.32 0.00 0.10 0.02 9 K E E 119.06 3.61 15.23 20.62 125.96 99.46 -112.03 143.97 8.24 91.74 0.01 6.20 1.54 0.08 0.00 0.01 0.00 91.99 0.17 10 Q E E 94.84 10.40 13.71 25.07 119.66 -133.39 -99.37 134.27 2.58 97.42 0.00 2.27 0.06 0.00 0.00 0.00 0.00 97.65 0.02 11 H E E 45.59 14.34 16.28 31.44 129.08 -173.82 -128.13 143.85 0.38 99.62 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.65 0.00 12 R E E 123.48 7.10 23.04 30.91 116.09 -134.10 -96.15 131.04 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 13 V E E 8.53 23.47 13.17 36.69 125.56 -171.76 -120.16 141.92 1.02 98.98 0.00 1.04 0.02 0.00 0.00 0.00 0.00 98.88 0.06 14 V C C 70.23 5.09 23.71 28.70 125.91 -157.54 -110.37 152.88 53.11 46.88 0.01 53.07 0.44 0.03 0.00 0.01 0.00 45.81 0.64 15 E C T 107.02 10.24 14.44 25.55 109.42 -82.13 -58.81 133.81 99.33 0.51 0.15 0.17 1.50 97.91 0.00 0.09 0.00 0.28 0.04 16 G C T 51.58 2.84 18.56 21.89 95.76 22.17 88.08 -6.22 99.78 0.14 0.08 0.23 1.67 97.94 0.00 0.06 0.00 0.09 0.01 17 E C C 78.26 9.27 15.86 26.42 120.29 121.63 -82.45 148.40 96.06 3.91 0.03 88.46 7.43 0.14 0.01 0.03 0.00 3.64 0.30 18 T E E 69.04 10.17 18.34 29.29 121.43 -140.03 -108.79 135.25 21.03 78.93 0.04 21.70 0.26 0.03 0.02 0.02 0.00 76.50 1.48 19 L E E 18.04 20.64 15.36 35.97 125.14 -167.20 -119.70 137.28 4.44 95.51 0.05 4.18 0.21 0.03 0.02 0.02 0.00 95.36 0.17 20 K E E 112.52 6.51 23.65 31.06 117.21 -148.88 -103.50 127.63 2.81 97.11 0.08 2.67 0.15 0.04 0.04 0.02 0.00 96.93 0.14 21 V E E 12.01 23.02 13.34 36.31 118.96 -166.08 -111.89 127.36 13.84 85.57 0.59 13.68 0.53 0.18 0.32 0.22 0.00 84.60 0.47 22 E E E 97.67 5.64 22.44 28.18 115.79 -148.64 -87.66 149.62 44.56 53.98 1.45 27.22 13.14 3.57 0.24 1.28 0.00 54.12 0.42 23 L C C 84.27 10.95 18.66 29.43 112.56 -49.40 -81.48 123.19 57.84 40.93 1.23 42.70 10.93 3.37 0.15 1.33 0.00 40.72 0.80 24 L C C 31.77 19.18 12.69 31.34 118.72 -164.32 -107.89 131.49 67.70 31.67 0.63 62.60 3.85 0.68 0.18 0.46 0.00 29.40 2.82 25 K C C 152.81 2.09 22.11 23.99 108.18 -138.86 -88.76 108.66 85.32 14.47 0.21 73.20 11.49 0.91 0.06 0.19 0.00 12.50 1.65 26 A C C 22.58 17.65 10.66 27.78 133.98 140.74 -136.54 160.04 93.77 6.16 0.07 82.63 11.28 0.25 0.02 0.06 0.00 3.48 2.29 27 E C C 128.47 1.95 20.76 21.70 118.98 -107.44 -79.97 151.97 98.69 1.22 0.09 96.77 1.70 0.32 0.03 0.04 0.00 0.63 0.51 28 S C T 69.53 8.48 13.06 22.87 109.26 -82.66 -59.65 134.64 99.54 0.29 0.17 0.37 2.85 96.44 0.01 0.12 0.00 0.16 0.06 29 G C T 51.54 2.72 17.62 20.88 96.08 22.44 87.98 -5.83 99.73 0.18 0.09 0.58 2.55 96.63 0.00 0.08 0.00 0.13 0.01 30 A C C 39.43 9.08 14.43 25.35 119.65 126.36 -76.76 150.07 93.13 6.85 0.02 88.86 4.00 0.10 0.00 0.02 0.00 6.67 0.34 31 T E E 73.42 8.41 18.77 28.36 121.97 -138.52 -112.63 138.96 12.46 87.53 0.01 12.54 0.25 0.01 0.00 0.00 0.00 86.58 0.61 32 I E E 14.84 21.65 14.91 36.59 124.49 -166.70 -120.71 134.24 0.86 99.13 0.00 0.85 0.02 0.00 0.00 0.00 0.00 99.10 0.04 33 T E E 69.58 6.84 24.60 32.01 117.08 -151.56 -107.20 127.45 0.89 99.11 0.00 0.86 0.02 0.00 0.00 0.00 0.00 99.09 0.03 34 F E E 12.00 23.85 13.25 37.11 121.99 -167.82 -116.43 132.60 6.26 93.73 0.01 6.09 0.18 0.01 0.00 0.00 0.00 93.53 0.17 35 D E E 82.72 5.20 23.61 29.19 99.63 -163.40 -87.75 -24.93 23.13 76.76 0.11 12.50 9.86 0.74 0.00 0.10 0.00 76.65 0.15 36 D E E 52.18 10.39 23.68 34.34 130.23 17.54 -137.78 139.03 18.45 81.44 0.10 10.83 6.75 0.60 0.01 0.09 0.00 81.63 0.09 37 V E E 5.82 24.82 19.17 44.22 121.47 -161.51 -115.97 132.29 3.54 96.45 0.01 3.26 0.19 0.02 0.00 0.00 0.00 96.47 0.06 38 L E E 12.28 19.04 25.89 44.62 121.22 -160.34 -111.95 134.62 0.38 99.62 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.01 39 M E E 12.72 21.80 24.51 45.60 118.92 -157.50 -108.53 129.32 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 40 V E E 12.19 18.82 23.21 42.08 118.78 -165.15 -112.78 126.56 0.22 99.78 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.79 0.00 41 V E E 26.26 15.91 17.89 34.47 125.55 -171.56 -123.77 139.60 3.11 96.88 0.01 2.50 0.29 0.03 0.00 0.00 0.00 97.10 0.08 42 N E E 74.86 7.88 17.74 26.55 108.89 -173.84 -117.64 63.64 41.21 58.65 0.14 33.09 5.79 0.97 0.02 0.13 0.00 59.54 0.46 43 G C T 47.19 4.14 16.52 21.79 107.23 -64.77 66.08 -118.73 98.82 0.66 0.52 2.00 40.69 56.23 0.02 0.51 0.00 0.46 0.09 44 D C T 125.42 1.33 15.13 16.28 99.20 -6.69 -99.98 -3.80 98.99 0.51 0.50 2.30 42.93 53.83 0.02 0.49 0.00 0.35 0.08 45 N E E 89.66 4.28 17.14 22.75 124.00 76.55 -111.53 143.35 37.62 62.25 0.13 22.47 14.09 1.36 0.01 0.14 0.00 61.32 0.60 46 I E E 50.31 18.68 11.96 29.94 121.25 -159.69 -117.40 129.76 6.85 93.14 0.01 6.51 0.18 0.01 0.00 0.00 0.00 93.20 0.09 47 Q E E 82.65 7.55 22.23 30.43 123.13 -170.33 -120.63 133.26 0.56 99.43 0.01 0.51 0.02 0.00 0.00 0.00 0.00 99.41 0.05 48 I E E 61.55 16.35 15.54 31.50 121.15 -159.96 -111.78 131.94 3.96 96.02 0.03 3.42 0.30 0.04 0.01 0.01 0.00 96.03 0.19 49 G C S 27.75 10.42 18.96 29.27 130.35 55.41 116.65 -171.96 79.34 20.60 0.06 33.27 43.04 1.70 0.00 0.06 0.00 21.60 0.33 50 A C S 61.20 6.30 19.79 26.75 116.69 -44.89 -82.48 145.40 92.87 6.97 0.16 33.05 58.60 1.53 0.02 0.14 0.00 6.07 0.60 51 P C C 58.07 14.20 16.53 30.26 103.46 -100.29 -68.68 40.56 92.07 6.55 1.37 48.58 35.00 8.74 0.19 1.34 0.00 5.22 0.92 52 V C C 61.13 12.51 20.84 32.76 114.30 69.37 -102.04 123.12 63.81 34.39 1.79 41.46 16.86 6.19 0.50 1.50 0.02 21.82 11.65 53 V C C 11.57 23.62 13.54 36.79 110.41 -147.45 -102.25 87.07 56.17 42.06 1.78 42.55 9.42 2.49 0.67 1.31 0.01 30.14 13.41 54 A C T 74.45 4.48 21.46 27.00 111.02 -139.50 -71.38 129.41 76.21 22.95 0.85 10.15 15.18 52.12 0.11 0.73 0.00 19.90 1.80 55 G C T 43.28 4.86 21.74 27.00 97.65 15.51 84.68 -0.64 83.62 16.01 0.37 6.89 25.00 50.85 0.02 0.40 0.00 16.49 0.35 56 A C C 11.73 22.49 12.86 34.85 120.13 135.87 -83.91 146.98 74.31 25.65 0.05 68.79 3.56 0.17 0.01 0.04 0.00 27.11 0.32 57 K E E 93.68 7.56 26.35 34.58 121.53 -153.98 -114.53 133.10 5.66 94.33 0.01 5.41 0.27 0.01 0.00 0.00 0.00 94.04 0.26 58 V E E 3.79 26.54 16.28 43.66 123.64 -167.72 -120.91 133.69 0.30 99.70 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.01 59 T E E 38.91 9.11 27.84 38.05 121.79 -168.30 -117.26 134.49 0.19 99.81 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 60 A E E 3.87 26.07 16.21 42.80 128.45 -171.98 -127.18 143.51 0.31 99.69 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 61 E E E 73.66 7.47 27.27 35.59 122.50 -165.06 -120.96 131.88 0.11 99.89 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.90 0.00 62 V E E 23.44 21.30 15.54 36.94 109.68 -123.33 -78.65 121.46 0.12 99.88 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 63 I E E 71.71 7.61 21.53 30.09 100.52 175.19 -96.38 -29.71 2.97 97.02 0.01 1.73 0.85 0.11 0.00 0.01 0.00 97.28 0.02 64 G E E 25.89 6.51 23.59 30.95 144.54 -9.66 -166.86 162.00 10.98 89.00 0.01 3.53 6.43 0.53 0.00 0.01 0.00 89.41 0.08 65 H E E 78.64 17.89 15.02 31.72 129.02 -152.34 -132.91 140.53 21.68 78.24 0.08 18.41 2.54 0.22 0.01 0.06 0.00 78.56 0.20 66 G E E 21.24 10.10 19.22 30.03 137.86 168.41 -151.06 171.70 24.81 75.03 0.16 21.87 2.38 0.25 0.07 0.08 0.00 74.22 1.12 67 R E E 137.87 6.91 17.63 25.92 119.30 -100.41 -106.68 139.02 26.80 72.88 0.32 21.15 5.37 0.52 0.17 0.17 0.00 69.92 2.68 68 H E E 60.52 14.19 12.76 27.02 126.39 -166.78 -116.11 153.92 48.94 50.27 0.79 35.67 11.65 1.40 0.27 0.46 0.00 49.65 0.90 69 D E E 89.49 5.12 18.57 24.38 112.99 -108.78 -80.07 143.18 49.21 49.23 1.56 36.94 9.68 1.58 0.70 0.74 0.00 49.77 0.59 70 K E E 97.36 9.00 16.09 25.81 117.96 -106.45 -89.81 138.77 27.94 69.62 2.44 23.08 3.67 0.99 1.72 0.81 0.00 69.04 0.68 71 I E E 42.84 14.16 13.58 28.74 120.63 -152.31 -110.89 133.00 7.84 90.39 1.77 7.15 0.47 0.22 1.47 0.39 0.00 89.90 0.40 72 R E E 104.38 7.63 18.80 27.53 117.40 -148.84 -103.43 128.35 4.03 94.46 1.51 3.57 0.24 0.13 1.26 0.24 0.00 94.40 0.17 73 I E E 38.97 13.35 15.08 29.91 119.37 -162.45 -110.68 129.21 4.15 94.37 1.49 3.57 0.27 0.13 1.14 0.25 0.00 94.52 0.12 74 I E E 49.30 9.82 16.13 27.95 121.03 -163.96 -114.18 132.75 5.90 92.44 1.65 5.04 0.44 0.24 1.18 0.34 0.00 92.57 0.20 75 K E E 82.38 8.17 15.59 25.33 119.32 -158.28 -108.93 131.32 14.19 83.56 2.25 11.76 1.47 0.62 1.56 0.62 0.00 83.61 0.36 76 M E E 68.50 8.67 11.07 21.68 117.59 -152.19 -104.39 131.08 34.56 62.09 3.35 28.21 4.56 1.57 2.07 1.30 0.00 61.34 0.94 77 R C C 132.30 4.06 10.86 16.59 114.72 -155.65 -98.92 137.10 59.86 31.47 8.67 37.02 15.03 7.92 3.97 4.47 0.02 30.13 1.43 78 R C C 168.95 2.30 9.73 13.10 104.66 -96.64 -70.32 83.19 76.97 8.42 14.61 27.62 24.66 25.52 5.68 8.31 0.05 6.99 1.18 79 R C T 176.97 1.45 9.17 11.44 104.56 22.93 -87.26 29.18 81.17 3.90 14.93 29.89 21.75 30.12 5.20 9.33 0.02 2.81 0.89 80 K C T 140.12 2.33 9.01 12.79 107.71 62.85 -89.27 104.82 82.44 6.23 11.33 27.86 22.53 32.77 3.27 7.72 0.02 4.82 1.02 81 H C C 136.58 3.07 9.61 14.23 107.26 -107.38 -85.01 99.63 75.40 18.58 6.02 31.71 17.68 26.38 1.22 4.66 0.01 17.32 1.04 82 Y C E 123.34 5.43 9.73 17.07 120.69 133.05 -108.96 137.40 52.80 44.23 2.97 39.96 8.31 4.26 0.77 2.26 0.00 42.98 1.45 83 R E E 134.06 5.85 10.85 18.56 120.68 -155.31 -111.07 137.29 39.55 59.29 1.15 32.21 4.60 1.88 0.33 0.74 0.00 59.54 0.69 84 K E E 112.42 6.18 12.70 20.69 121.88 -163.56 -111.74 138.09 25.85 73.50 0.66 20.86 3.21 1.05 0.19 0.41 0.00 73.81 0.45 85 Q E E 94.58 9.14 12.57 22.89 120.85 -155.06 -109.44 136.18 14.82 84.69 0.48 11.92 2.01 0.77 0.15 0.30 0.00 84.46 0.40 86 Q E E 97.72 6.78 15.10 23.48 124.99 -173.73 -121.73 141.17 12.46 87.27 0.27 9.78 1.81 0.60 0.07 0.17 0.00 87.30 0.28 87 G E E 27.98 9.94 14.37 25.18 134.58 148.92 -122.30 170.07 11.74 88.10 0.16 9.42 1.70 0.32 0.04 0.10 0.00 88.16 0.25 88 H E E 92.60 9.00 16.70 26.66 124.73 -123.16 -116.84 143.16 10.72 89.18 0.10 9.65 0.76 0.16 0.03 0.06 0.00 88.73 0.59 89 R E E 95.03 12.56 15.09 28.07 122.03 -153.88 -113.36 136.98 20.36 79.54 0.10 18.31 1.34 0.22 0.02 0.07 0.00 79.48 0.56 90 Q E E 73.52 10.90 17.84 29.34 118.82 -147.85 -101.77 137.56 27.62 72.31 0.07 24.30 1.87 0.22 0.01 0.05 0.00 73.19 0.35 91 W E E 86.50 13.43 17.44 31.11 118.99 -144.11 -99.75 136.96 25.61 74.34 0.05 22.70 1.64 0.13 0.01 0.04 0.00 75.20 0.28 92 F E E 49.41 14.58 19.08 33.98 129.96 -173.00 -128.18 148.64 8.24 91.75 0.01 7.44 0.46 0.03 0.00 0.01 0.00 91.88 0.19 93 T E E 20.41 18.00 18.84 36.90 124.10 -151.65 -114.91 138.87 3.38 96.62 0.00 3.07 0.13 0.01 0.00 0.00 0.00 96.73 0.06 94 E E E 57.60 12.06 23.83 36.03 122.69 -159.59 -115.73 135.28 2.01 97.98 0.00 1.71 0.14 0.01 0.00 0.00 0.00 98.12 0.02 95 L E E 13.61 23.12 17.29 40.28 120.45 -160.85 -111.25 130.12 1.41 98.59 0.00 1.27 0.04 0.00 0.00 0.00 0.00 98.68 0.01 96 K E E 88.43 7.74 25.45 33.53 118.44 -159.81 -109.25 128.84 0.73 99.27 0.00 0.66 0.02 0.00 0.00 0.00 0.00 99.31 0.01 97 I E E 21.54 22.27 13.62 35.81 112.37 -143.01 -92.03 121.80 0.92 99.08 0.00 0.89 0.01 0.00 0.00 0.00 0.00 99.06 0.03 98 T E E 72.94 5.11 21.27 26.85 103.86 177.16 -104.37 -19.08 6.65 93.34 0.01 4.82 1.10 0.15 0.00 0.01 0.00 93.86 0.06 99 G E E 33.79 5.69 21.80 28.14 139.02 -3.24 102.83 159.67 12.23 87.74 0.03 7.34 4.04 0.48 0.00 0.03 0.00 88.02 0.09 100 I E E 46.61 20.58 10.81 29.82 120.03 -140.85 -111.37 130.39 13.56 86.40 0.04 12.51 0.83 0.10 0.01 0.03 0.00 85.03 1.49 101 S E E 69.10 4.09 17.80 22.94 126.66 -172.52 -124.55 147.32 40.37 59.57 0.06 38.24 0.97 0.28 0.02 0.04 0.00 58.91 1.54 102 G C C 50.44 4.58 16.05 21.65 112.99 -4.86 79.49 -170.11 99.48 0.51 0.00 99.24 0.26 0.05 0.00 0.00 0.00 0.43 0.02