# 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 50.60 14.88 19.81 34.50 118.47 -160.39 -107.14 137.68 98.71 1.28 0.00 98.45 0.32 0.04 0.00 0.00 0.00 1.16 0.03 1 Y E E 55.86 14.04 21.17 35.34 129.23 -168.58 -124.11 146.01 7.09 92.91 0.00 6.93 0.15 0.01 0.00 0.00 0.00 92.78 0.13 2 A E E 5.95 21.17 19.54 40.95 128.19 -166.54 -124.68 144.76 0.43 99.57 0.00 0.39 0.00 0.00 0.00 0.00 0.00 99.60 0.00 3 V E E 21.40 14.27 24.61 39.70 118.97 -149.81 -110.84 128.45 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 4 F E E 9.15 22.54 18.59 41.32 125.90 -170.77 -120.15 139.30 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 5 Q E E 61.37 9.36 22.39 32.57 116.21 -148.07 -105.92 125.51 1.54 98.46 0.00 1.21 0.08 0.01 0.00 0.00 0.00 98.69 0.01 6 S E E 20.05 17.73 12.62 30.09 121.21 171.75 -133.93 121.68 11.51 88.29 0.19 6.96 2.98 1.35 0.01 0.23 0.00 88.20 0.26 7 G C T 54.60 3.78 15.70 20.66 95.56 -18.95 58.44 34.55 99.14 0.37 0.49 0.44 6.75 91.92 0.01 0.58 0.00 0.26 0.04 8 G C T 63.82 1.19 14.75 15.65 96.73 -43.84 81.64 0.63 99.42 0.17 0.41 0.59 7.77 90.99 0.01 0.50 0.00 0.11 0.02 9 K E E 119.43 3.61 14.81 20.27 124.99 98.39 -110.44 143.10 8.86 91.13 0.01 6.75 1.61 0.09 0.00 0.01 0.00 91.32 0.21 10 Q E E 98.04 10.09 13.50 24.70 120.47 -138.31 -103.63 135.23 2.91 97.09 0.00 2.57 0.07 0.00 0.00 0.00 0.00 97.34 0.02 11 H E E 49.74 13.86 16.22 30.94 128.84 -174.25 -129.54 141.35 0.44 99.56 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.60 0.00 12 R E E 128.26 6.75 22.63 30.34 116.41 -136.83 -96.07 130.82 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 13 V E E 8.85 23.31 13.15 36.48 127.61 -172.76 -124.01 144.16 1.13 98.87 0.00 1.18 0.02 0.00 0.00 0.00 0.00 98.70 0.10 14 S C C 48.38 5.54 23.60 29.01 128.01 -158.58 -110.39 161.66 64.03 35.95 0.01 63.90 0.51 0.03 0.00 0.01 0.00 34.88 0.67 15 E C T 112.12 9.32 15.05 25.40 109.14 -80.56 -59.14 133.35 99.40 0.44 0.16 0.17 1.57 97.88 0.00 0.09 0.00 0.23 0.05 16 G C T 52.39 2.80 18.62 21.80 95.94 21.37 87.77 -5.44 99.77 0.14 0.09 0.24 1.80 97.80 0.00 0.06 0.00 0.09 0.01 17 Q C C 72.90 9.84 15.71 26.72 119.95 121.29 -83.84 148.08 95.71 4.26 0.03 87.95 7.61 0.15 0.01 0.03 0.00 3.90 0.35 18 T E E 67.16 10.04 18.88 29.61 121.84 -140.13 -110.71 135.09 21.50 78.47 0.03 22.03 0.25 0.02 0.01 0.01 0.00 76.23 1.45 19 V E E 15.20 21.05 15.39 36.47 122.87 -167.48 -118.36 135.32 4.53 95.43 0.03 4.27 0.20 0.02 0.02 0.01 0.00 95.27 0.20 20 R E E 122.55 6.76 23.80 31.32 117.42 -151.11 -105.98 127.88 3.00 96.94 0.06 2.83 0.17 0.03 0.03 0.02 0.00 96.74 0.17 21 L E E 16.14 22.67 12.97 35.36 117.07 -160.32 -104.34 127.25 13.74 85.79 0.46 13.45 0.48 0.15 0.22 0.19 0.00 84.99 0.51 22 E E E 100.37 5.59 21.50 27.28 112.97 -154.27 -85.27 150.02 43.82 55.16 1.01 25.63 14.18 3.63 0.12 1.00 0.00 55.01 0.42 23 K C C 119.70 7.09 19.20 27.13 112.41 -17.46 -79.97 125.86 57.61 41.52 0.87 41.68 12.17 3.25 0.08 1.01 0.00 41.00 0.81 24 L C C 35.76 19.20 11.36 29.71 119.59 -169.15 -111.28 133.40 70.82 28.78 0.40 65.57 4.09 0.73 0.10 0.33 0.00 26.40 2.78 25 D C C 117.27 1.64 22.13 22.79 103.37 -141.59 -88.23 63.01 90.21 9.66 0.13 77.92 11.08 1.17 0.03 0.14 0.00 8.73 0.94 26 I C C 29.96 18.62 10.09 28.08 128.46 138.36 -120.55 149.16 96.23 3.72 0.04 86.83 9.57 0.15 0.01 0.03 0.00 1.99 1.41 27 A C C 67.45 2.32 21.41 22.46 119.11 -114.24 -80.62 153.65 99.50 0.47 0.04 98.58 0.90 0.11 0.01 0.01 0.00 0.20 0.19 28 T C T 83.05 8.87 13.06 23.17 109.63 -86.83 -59.53 135.18 99.61 0.26 0.14 0.42 2.89 96.40 0.01 0.09 0.00 0.14 0.06 29 G C T 50.28 3.02 17.58 21.33 95.92 23.06 87.97 -6.04 99.76 0.17 0.07 0.66 2.57 96.57 0.00 0.06 0.00 0.13 0.01 30 E C C 80.96 7.79 15.86 25.24 120.65 126.26 -78.27 149.40 93.73 6.25 0.02 90.75 2.76 0.07 0.00 0.02 0.00 6.14 0.25 31 T E E 72.35 9.31 18.14 28.42 122.27 -137.87 -107.74 139.53 8.97 91.03 0.00 9.02 0.20 0.01 0.00 0.00 0.00 90.33 0.44 32 V E E 15.10 20.83 15.00 35.85 124.65 -168.72 -121.95 136.03 0.68 99.32 0.00 0.65 0.01 0.00 0.00 0.00 0.00 99.31 0.03 33 E E E 101.79 6.44 24.15 31.29 116.11 -148.98 -102.81 126.98 0.83 99.17 0.00 0.78 0.02 0.00 0.00 0.00 0.00 99.18 0.02 34 F E E 12.43 23.95 13.23 37.15 119.80 -162.53 -111.85 130.64 6.54 93.44 0.02 6.33 0.19 0.02 0.00 0.01 0.00 93.31 0.15 35 A E E 54.38 6.19 23.41 30.07 98.72 -168.58 -83.58 -30.78 22.61 77.25 0.13 11.64 10.08 0.75 0.01 0.12 0.00 77.28 0.13 36 E E E 70.93 9.92 24.17 34.29 129.74 15.74 -133.73 137.76 13.80 86.11 0.09 9.08 3.80 0.34 0.01 0.07 0.00 86.64 0.06 37 V E E 5.77 24.86 19.03 44.17 121.56 -159.40 -116.28 130.99 2.12 97.87 0.01 1.94 0.10 0.01 0.00 0.00 0.00 97.90 0.04 38 L E E 12.67 18.73 25.82 44.32 122.46 -163.10 -113.90 135.79 0.31 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.71 0.01 39 M E E 14.01 21.81 24.35 45.40 120.03 -158.32 -109.71 129.53 0.24 99.76 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.78 0.00 40 I E E 16.48 18.32 23.46 41.72 119.40 -165.94 -114.07 127.52 0.61 99.38 0.00 0.54 0.02 0.00 0.00 0.00 0.00 99.42 0.01 41 A E E 18.52 16.50 17.67 34.64 128.26 -173.80 -126.43 141.01 7.99 91.98 0.03 6.16 1.22 0.14 0.01 0.02 0.00 92.27 0.19 42 N C C 79.55 7.05 18.66 26.73 104.36 -168.77 -113.03 30.97 59.17 40.55 0.28 43.94 11.37 2.18 0.04 0.27 0.00 41.56 0.64 43 G C S 43.60 6.14 16.22 23.16 102.48 -77.42 72.47 -60.57 97.94 1.03 1.04 4.65 53.46 39.97 0.05 0.96 0.00 0.72 0.18 44 E C S 152.80 1.55 15.81 17.20 100.49 9.21 -99.39 -14.71 97.99 0.94 1.07 5.18 56.75 36.23 0.07 0.94 0.00 0.64 0.18 45 E C E 110.79 3.92 17.47 22.56 125.23 50.65 -123.12 142.45 54.06 45.40 0.53 28.81 21.97 3.83 0.07 0.52 0.00 43.74 1.08 46 V E E 43.08 19.16 11.89 30.18 121.70 -159.61 -116.50 130.77 17.71 82.24 0.05 16.47 0.71 0.07 0.02 0.02 0.00 82.45 0.26 47 K E E 95.39 7.27 22.38 30.37 124.35 -170.64 -122.53 136.39 2.17 97.79 0.04 1.94 0.14 0.02 0.02 0.01 0.00 97.56 0.31 48 I E E 58.91 16.71 15.72 31.97 120.87 -157.89 -111.75 133.55 6.96 92.96 0.08 5.94 0.71 0.13 0.04 0.04 0.00 92.61 0.52 49 G C S 26.11 10.94 19.17 30.00 130.39 40.01 114.96 -171.53 78.39 21.53 0.08 35.13 40.12 1.90 0.01 0.09 0.00 22.37 0.38 50 V C S 78.17 7.42 19.22 27.28 117.28 -45.97 -88.94 140.38 91.15 8.59 0.25 37.33 52.05 2.13 0.04 0.22 0.00 7.34 0.90 51 P C C 61.10 12.08 16.82 29.07 103.93 -98.01 -65.92 131.03 85.66 8.19 6.15 42.06 27.36 16.58 0.89 5.74 0.01 5.98 1.38 52 F C C 79.40 13.49 19.61 32.39 99.04 -127.86 -82.68 -15.77 70.54 22.31 7.15 33.82 22.08 16.56 1.36 5.77 0.13 13.45 6.82 53 V C C 16.23 22.75 13.38 35.47 108.36 54.08 -101.28 56.29 62.10 30.53 7.37 37.60 16.04 8.84 1.84 5.63 0.12 19.38 10.55 54 D C T 106.45 3.44 21.29 25.69 110.34 106.08 -79.45 119.84 80.36 17.70 1.94 16.02 16.09 49.25 0.35 1.53 0.01 14.51 2.24 55 G C T 42.61 5.80 20.40 26.62 102.91 9.20 87.93 -1.99 85.59 13.44 0.96 7.97 25.21 52.24 0.07 0.97 0.00 12.98 0.55 56 G C C 12.24 18.09 15.46 33.05 126.93 129.10 -100.15 173.32 65.55 34.14 0.31 51.81 11.27 1.13 0.05 0.29 0.00 34.74 0.71 57 V E E 52.26 9.92 25.87 36.52 126.15 -137.66 -124.14 138.90 7.84 92.14 0.02 7.38 0.39 0.04 0.01 0.01 0.00 91.82 0.36 58 I E E 3.60 26.56 17.12 44.74 121.91 -161.47 -114.38 131.43 0.60 99.40 0.00 0.54 0.02 0.00 0.00 0.00 0.00 99.43 0.01 59 K E E 71.44 9.23 27.93 37.94 120.52 -164.53 -114.57 132.02 0.18 99.82 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 60 A E E 3.70 26.07 16.28 42.89 128.62 -173.34 -126.28 143.12 0.28 99.72 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.00 61 E E E 72.28 7.75 27.27 35.88 123.09 -158.50 -120.98 133.09 0.13 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 62 V E E 20.63 21.68 15.50 37.34 109.72 -123.95 -78.78 121.83 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 63 V E E 61.94 7.59 21.72 30.30 100.11 174.81 -94.88 -31.93 2.64 97.35 0.02 1.59 0.71 0.07 0.00 0.01 0.00 97.60 0.02 64 A E E 42.96 6.86 23.45 31.10 141.28 0.06 -155.77 153.14 4.89 95.08 0.02 2.38 2.10 0.20 0.00 0.01 0.00 95.25 0.06 65 H E E 77.39 18.44 15.31 32.33 126.75 -164.61 -128.17 135.81 13.54 86.38 0.08 11.55 1.52 0.16 0.01 0.05 0.00 86.57 0.14 66 G E E 19.28 10.12 20.50 31.32 140.35 160.79 -154.17 173.87 18.64 81.22 0.15 16.39 1.57 0.19 0.06 0.07 0.00 81.18 0.53 67 R E E 138.05 7.03 18.52 27.04 121.01 -99.99 -103.96 142.23 19.39 80.33 0.28 16.15 3.03 0.34 0.17 0.13 0.00 78.34 1.84 68 G E E 17.85 15.19 13.40 28.38 129.20 -139.93 -106.76 173.04 43.88 54.96 1.16 32.28 10.28 1.34 0.47 0.61 0.00 54.18 0.84 69 E E E 114.60 4.54 20.52 25.27 116.27 -83.27 -79.33 147.48 43.91 53.44 2.65 32.03 9.46 1.76 1.49 1.07 0.00 53.48 0.72 70 K E E 99.22 9.88 16.36 26.84 115.09 -103.27 -78.67 138.73 30.52 65.34 4.14 25.07 3.94 1.33 3.22 1.27 0.00 64.28 0.89 71 V E E 33.37 15.04 13.91 29.88 120.98 -155.68 -112.05 133.25 12.02 84.44 3.54 10.58 0.92 0.49 3.09 0.78 0.00 83.45 0.71 72 K E E 92.99 7.48 19.22 27.76 117.10 -147.57 -103.03 128.30 8.31 88.29 3.40 7.02 0.72 0.41 2.97 0.63 0.00 87.88 0.37 73 I E E 37.59 13.96 14.78 30.11 119.64 -161.54 -109.83 129.80 8.85 87.38 3.77 7.36 0.76 0.44 3.19 0.64 0.00 87.34 0.27 74 V E E 46.15 9.25 16.53 27.74 120.27 -163.75 -113.63 132.87 11.50 84.21 4.29 9.52 1.08 0.61 3.56 0.83 0.00 83.99 0.42 75 K E E 83.25 8.30 15.05 24.95 119.60 -158.25 -110.37 130.82 21.74 73.26 5.00 17.60 2.45 1.13 3.96 1.17 0.00 73.11 0.57 76 F E E 84.03 7.88 10.82 20.67 116.32 -152.71 -101.11 129.89 40.96 52.46 6.58 32.00 6.11 2.45 4.70 2.04 0.01 51.49 1.19 77 R C C 140.71 3.68 10.36 15.67 112.92 -154.56 -99.51 134.39 63.45 23.29 13.26 36.81 15.71 11.07 7.49 5.40 0.05 21.99 1.49 78 R C C 176.26 1.70 9.87 12.28 105.32 -78.03 -73.94 73.22 75.45 6.99 17.56 30.29 21.20 24.63 8.94 8.16 0.04 5.59 1.15 79 R C C 166.26 2.06 8.70 12.05 106.47 40.04 -94.42 68.42 79.15 4.42 16.43 32.95 20.14 26.62 7.64 8.52 0.02 3.13 0.99 80 K C C 147.81 2.20 8.98 12.69 109.24 -88.59 -87.39 99.07 79.78 8.19 12.03 31.36 21.00 28.10 5.02 6.77 0.02 6.59 1.15 81 H C C 133.43 3.15 9.68 14.32 111.15 51.25 -91.90 114.76 71.01 21.44 7.55 34.34 16.53 20.59 2.57 4.87 0.01 19.93 1.16 82 Y C C 127.41 5.63 9.42 16.92 118.46 108.40 -106.59 136.10 54.37 40.85 4.77 41.17 7.94 4.68 2.03 2.92 0.01 39.79 1.46 83 R E E 133.56 5.47 11.16 18.49 121.03 -166.35 -111.41 136.07 41.92 55.41 2.67 33.33 5.41 2.56 1.32 1.36 0.00 55.21 0.80 84 K E E 117.77 6.39 12.35 20.55 121.08 -154.95 -109.58 135.99 33.62 64.37 2.01 26.87 4.46 1.84 1.07 1.00 0.00 64.10 0.67 85 Q E E 92.15 8.93 12.56 22.71 121.88 -160.04 -113.59 134.99 24.61 73.93 1.46 19.15 3.61 1.65 0.70 0.74 0.00 73.48 0.68 86 Q E E 105.19 6.52 14.84 22.97 123.23 -167.08 -117.87 139.66 22.79 76.44 0.76 16.55 4.31 1.61 0.28 0.43 0.00 76.31 0.50 87 G E E 27.09 9.61 14.48 25.10 133.34 133.00 -134.76 170.14 19.40 80.23 0.37 14.46 3.87 0.91 0.12 0.23 0.00 80.04 0.38 88 H E E 97.64 8.37 16.61 26.00 124.93 -104.63 -117.66 142.93 14.16 85.63 0.21 12.43 1.31 0.32 0.08 0.13 0.00 84.88 0.85 89 R E E 90.83 12.94 14.60 27.95 123.25 -155.31 -114.05 137.86 21.29 78.56 0.15 19.21 1.41 0.27 0.04 0.09 0.00 78.33 0.65 90 Q E E 78.39 10.06 18.17 28.89 120.12 -149.22 -99.80 135.96 25.42 74.48 0.09 22.08 2.00 0.22 0.02 0.06 0.00 75.26 0.35 91 W E E 79.66 14.38 16.65 31.18 119.62 -147.41 -102.18 136.72 21.60 78.35 0.05 19.29 1.22 0.11 0.01 0.03 0.00 79.08 0.26 92 F E E 54.59 13.20 19.89 33.58 130.76 -172.67 -127.41 149.02 6.03 93.96 0.01 5.45 0.32 0.02 0.00 0.01 0.00 94.06 0.14 93 T E E 18.42 19.40 17.81 37.08 126.10 -156.09 -119.59 142.14 2.58 97.42 0.00 2.34 0.11 0.01 0.00 0.00 0.00 97.49 0.05 94 D E E 44.60 11.02 24.30 35.68 123.40 -160.64 -118.02 136.85 1.91 98.09 0.00 1.63 0.16 0.01 0.00 0.00 0.00 98.18 0.02 95 V E E 13.06 23.25 16.95 40.15 120.40 -159.21 -110.75 129.41 1.16 98.84 0.00 1.03 0.05 0.00 0.00 0.00 0.00 98.91 0.01 96 K E E 87.82 7.53 25.44 33.28 119.75 -162.87 -111.20 130.46 0.58 99.41 0.00 0.53 0.02 0.00 0.00 0.00 0.00 99.44 0.01 97 I E E 26.09 21.29 13.73 34.83 112.97 -140.29 -92.60 122.43 1.56 98.44 0.00 1.46 0.03 0.00 0.00 0.00 0.00 98.43 0.08 98 T E E 69.49 5.63 20.45 26.70 104.76 176.01 -105.87 -21.29 15.62 84.30 0.08 11.32 3.34 0.71 0.01 0.08 0.00 84.33 0.22 99 G E E 34.18 5.69 19.88 26.35 137.29 -8.11 -165.82 166.00 30.92 68.90 0.17 19.23 10.63 1.95 0.02 0.18 0.00 67.61 0.39 100 I E E 60.19 16.90 11.04 27.00 119.95 -125.00 -109.14 130.92 46.72 53.12 0.16 45.68 0.86 0.32 0.06 0.10 0.00 51.22 1.77 101 S C C 70.00 4.53 17.93 23.30 115.63 -156.13 -101.06 133.04 99.18 0.82 0.01 99.13 0.09 0.02 0.00 0.00 0.00 0.75 0.02