# 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 48.06 15.34 19.88 34.95 120.59 -161.06 -110.06 138.79 98.52 1.48 0.00 98.20 0.34 0.05 0.00 0.00 0.00 1.38 0.04 1 Y E E 56.23 13.67 21.68 35.54 128.15 -163.80 -120.31 143.95 7.70 92.30 0.00 7.63 0.13 0.01 0.00 0.00 0.00 92.08 0.14 2 A E E 4.91 22.23 19.15 41.70 127.35 -165.75 -126.09 144.66 0.45 99.55 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.57 0.00 3 I E E 25.67 13.51 25.43 39.85 117.38 -149.70 -107.92 126.69 0.05 99.95 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 4 I E E 5.32 23.90 18.82 43.23 121.19 -167.80 -115.33 130.52 0.04 99.96 0.00 0.03 0.00 0.00 0.00 0.00 0.00 99.97 0.00 5 E E E 58.40 9.36 23.52 33.77 115.40 -155.17 -105.31 123.54 1.06 98.94 0.00 0.86 0.03 0.00 0.00 0.00 0.00 99.10 0.00 6 T E E 19.16 19.11 13.03 31.79 119.11 173.95 -131.41 119.14 9.80 90.10 0.10 6.17 2.27 0.96 0.01 0.11 0.00 90.27 0.21 7 G C T 50.85 5.11 16.08 22.44 94.98 -22.46 58.02 34.45 99.18 0.49 0.33 0.46 6.55 92.22 0.01 0.37 0.00 0.35 0.04 8 G C T 63.54 1.27 15.32 16.26 96.35 -44.16 81.44 1.44 99.58 0.18 0.24 0.64 7.38 91.54 0.00 0.29 0.00 0.12 0.02 9 K E E 116.10 4.08 14.95 20.97 124.77 101.67 -110.94 142.65 8.84 91.14 0.01 6.79 1.46 0.09 0.00 0.01 0.00 91.48 0.16 10 Q E E 99.77 9.34 14.37 25.00 118.91 -137.49 -99.85 133.11 2.84 97.16 0.00 2.46 0.08 0.00 0.00 0.00 0.00 97.44 0.02 11 I E E 30.89 16.17 15.26 32.15 125.18 -169.89 -122.22 137.56 0.32 99.68 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.70 0.00 12 K E E 114.33 5.90 23.71 30.43 115.23 -137.57 -92.11 129.61 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 13 V E E 7.54 24.40 12.29 36.74 126.53 -172.72 -122.78 143.60 0.91 99.09 0.00 0.89 0.02 0.00 0.00 0.00 0.00 99.04 0.06 14 E C C 98.73 4.04 24.16 28.10 126.33 -159.92 -113.35 153.02 63.02 36.96 0.01 62.65 0.63 0.04 0.00 0.01 0.00 36.11 0.56 15 A C T 61.03 10.82 14.39 25.89 109.51 -82.34 -59.34 134.55 99.16 0.68 0.16 0.20 1.49 97.79 0.00 0.09 0.00 0.37 0.05 16 G C T 50.55 2.92 18.89 22.32 95.96 22.98 88.24 -6.41 99.75 0.17 0.08 0.27 1.71 97.83 0.00 0.05 0.00 0.12 0.01 17 Q C C 72.62 9.68 15.74 26.65 120.42 124.03 -81.30 148.83 95.68 4.28 0.03 89.38 6.26 0.12 0.01 0.03 0.00 3.86 0.34 18 E E E 101.20 8.57 19.66 29.07 118.14 -129.90 -96.98 133.72 21.09 78.88 0.04 21.76 0.26 0.03 0.01 0.01 0.00 76.04 1.88 19 I E E 14.62 22.31 14.98 37.14 125.42 -169.18 -121.16 138.52 6.42 93.53 0.04 6.13 0.23 0.03 0.02 0.02 0.00 93.36 0.22 20 Y E E 103.18 8.33 24.17 32.87 118.74 -151.19 -108.29 128.71 5.58 94.36 0.06 5.35 0.23 0.04 0.03 0.02 0.00 94.02 0.30 21 V E E 12.00 23.02 14.37 37.52 117.10 -164.22 -110.80 123.63 20.56 78.84 0.60 19.84 0.88 0.22 0.27 0.27 0.00 77.98 0.54 22 E E E 91.79 6.62 22.33 29.14 118.54 -156.36 -87.80 148.15 47.70 50.76 1.54 30.60 13.17 3.55 0.20 1.55 0.00 50.45 0.48 23 K C C 115.48 9.02 19.84 29.10 108.71 -40.56 -72.91 114.53 56.82 41.99 1.20 42.93 10.16 3.21 0.14 1.33 0.00 41.25 0.98 24 L C C 31.16 19.76 12.80 31.84 119.15 -167.60 -111.50 132.35 61.59 37.98 0.44 56.52 3.64 0.53 0.14 0.34 0.00 33.29 5.54 25 A C C 78.20 3.34 22.45 26.17 111.50 -134.66 -83.43 126.60 84.58 15.25 0.17 71.30 11.89 1.34 0.04 0.17 0.00 13.63 1.62 26 G C C 20.75 13.10 14.27 27.89 141.74 111.24 -157.22 172.31 95.69 4.24 0.08 75.30 19.94 0.92 0.01 0.09 0.00 2.50 1.25 27 E C C 125.82 2.26 21.26 22.99 123.15 -84.04 -104.59 151.32 97.61 2.27 0.11 93.22 3.87 0.35 0.03 0.07 0.00 0.91 1.54 28 V C T 87.90 9.70 12.98 23.79 109.99 -86.60 -58.91 133.92 99.38 0.43 0.18 0.45 2.44 96.66 0.01 0.12 0.00 0.22 0.11 29 G C T 50.02 2.99 18.05 21.74 95.75 23.06 87.61 -5.96 99.77 0.15 0.08 0.51 2.46 96.84 0.00 0.07 0.00 0.10 0.01 30 D C C 57.85 8.88 15.33 25.81 120.77 126.85 -77.25 150.98 95.51 4.47 0.02 91.32 3.94 0.10 0.00 0.02 0.00 4.42 0.20 31 V E E 76.45 8.94 19.43 29.30 121.00 -136.72 -105.98 134.35 5.29 94.71 0.00 5.28 0.12 0.00 0.00 0.00 0.00 94.15 0.44 32 V E E 10.53 22.30 15.37 37.87 124.29 -167.54 -118.62 137.96 0.42 99.58 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.58 0.01 33 T E E 59.79 8.21 25.11 33.78 119.06 -156.36 -111.62 129.37 0.60 99.40 0.00 0.57 0.01 0.00 0.00 0.00 0.00 99.40 0.02 34 F E E 10.40 24.08 13.92 38.25 119.11 -161.36 -112.71 129.94 5.39 94.60 0.01 5.19 0.16 0.01 0.00 0.00 0.00 94.49 0.16 35 D E E 77.59 5.90 23.87 30.04 100.64 -157.56 -85.50 -25.69 27.47 72.46 0.08 15.21 11.46 0.53 0.00 0.07 0.00 72.61 0.13 36 K E E 77.93 10.00 23.77 33.87 127.57 17.17 -132.29 138.18 24.13 75.75 0.11 14.37 8.52 0.50 0.01 0.09 0.00 76.38 0.13 37 V E E 8.86 23.91 18.71 42.67 121.61 -157.88 -115.55 130.53 4.96 95.02 0.02 4.92 0.20 0.02 0.00 0.01 0.00 94.66 0.19 38 L E E 16.33 18.03 24.97 42.80 119.47 -157.99 -108.31 131.16 1.00 98.99 0.00 0.90 0.07 0.01 0.00 0.00 0.00 98.98 0.04 39 F E E 25.77 19.43 23.97 42.79 120.28 -158.37 -109.35 131.59 0.49 99.51 0.00 0.44 0.02 0.00 0.00 0.00 0.00 99.52 0.02 40 V E E 18.07 18.19 20.78 38.99 123.61 -169.36 -120.40 134.26 2.91 97.08 0.01 2.50 0.24 0.02 0.00 0.00 0.00 97.08 0.15 41 G E E 18.05 13.75 18.41 32.35 135.96 167.74 -140.27 168.81 45.14 54.73 0.14 33.72 9.05 1.27 0.01 0.13 0.00 55.39 0.43 42 G C S 36.09 7.04 17.40 25.19 125.04 27.75 113.46 -151.04 91.15 7.55 1.31 15.71 46.90 28.48 0.09 1.44 0.00 6.62 0.77 43 D C S 125.73 1.44 16.18 17.50 97.05 -24.12 -82.41 -14.86 96.74 1.17 2.09 11.24 45.75 39.69 0.19 2.04 0.00 0.78 0.31 44 S C C 71.81 3.81 17.38 22.05 123.37 25.51 -125.95 136.58 84.88 13.56 1.56 33.79 28.57 22.64 0.19 1.58 0.00 12.41 0.84 45 A E E 34.56 18.47 12.00 29.47 120.69 -151.90 -108.07 133.97 42.22 57.40 0.38 37.36 3.10 0.66 0.11 0.22 0.00 57.73 0.81 46 K E E 102.41 7.12 21.67 29.77 124.14 -170.05 -121.31 136.23 10.38 89.36 0.26 9.18 0.95 0.21 0.18 0.11 0.00 86.52 2.85 47 V E E 56.57 16.05 15.52 31.14 121.03 -158.69 -111.52 133.77 19.87 79.74 0.39 15.86 3.16 0.97 0.22 0.24 0.00 77.77 1.79 48 G C S 28.57 8.79 19.38 28.58 130.13 38.78 109.57 -169.25 82.30 17.53 0.17 27.75 50.08 3.91 0.03 0.16 0.00 17.46 0.62 49 V C S 87.70 5.73 19.67 26.11 116.24 -39.55 -87.01 136.84 91.53 8.16 0.31 41.98 48.19 1.95 0.07 0.25 0.00 6.47 1.09 50 P C C 58.55 13.59 15.68 29.20 107.17 -106.67 -66.36 133.68 85.03 8.82 6.15 52.02 18.59 14.16 1.01 6.05 0.01 6.30 1.87 51 F C C 78.84 13.05 19.49 32.19 99.07 -144.30 -81.97 -21.87 74.61 17.28 8.11 27.56 27.08 21.43 1.39 6.68 0.14 10.00 5.72 52 V C C 17.23 22.23 13.86 35.45 103.93 48.80 -99.71 21.00 68.35 23.82 7.83 34.42 21.02 14.52 1.65 6.25 0.11 13.88 8.16 53 D C T 105.21 3.61 20.76 25.60 110.28 115.62 -70.45 128.86 85.75 12.62 1.63 10.59 15.23 60.39 0.29 1.29 0.01 10.28 1.92 54 G C T 45.01 4.78 21.05 26.24 96.93 17.88 85.22 -2.66 89.98 9.40 0.62 9.04 19.75 60.73 0.05 0.64 0.00 9.36 0.42 55 A C C 10.36 22.51 12.83 34.97 117.08 144.12 -79.80 142.54 80.58 19.34 0.08 75.43 3.30 0.22 0.01 0.06 0.00 20.62 0.36 56 T E E 53.51 8.91 26.56 36.01 124.73 -164.00 -120.74 137.23 3.84 96.15 0.01 3.73 0.15 0.01 0.00 0.00 0.00 95.87 0.24 57 V E E 3.70 26.28 16.73 43.81 124.73 -167.78 -122.59 134.88 0.33 99.67 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.00 58 T E E 40.25 8.99 27.61 37.66 120.75 -163.21 -113.48 132.51 0.23 99.77 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.80 0.00 59 A E E 3.37 26.11 15.83 42.46 131.10 -174.04 -128.13 149.95 0.40 99.60 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.66 0.00 60 K E E 85.69 6.65 27.22 34.71 122.28 -156.89 -119.41 132.61 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 61 V E E 18.14 22.24 14.15 36.57 109.97 -122.34 -79.73 122.19 0.29 99.71 0.00 0.28 0.00 0.00 0.00 0.00 0.00 99.71 0.00 62 E E E 88.22 5.87 21.06 27.76 100.14 175.97 -92.85 -35.22 6.00 93.99 0.01 2.64 2.58 0.19 0.00 0.01 0.00 94.56 0.02 63 K E E 100.14 4.33 22.83 27.80 137.88 0.82 -151.29 150.74 7.68 92.31 0.01 2.91 3.84 0.32 0.00 0.01 0.00 92.85 0.06 64 Q E E 76.70 17.01 14.14 30.08 122.80 -151.55 -117.83 133.39 15.78 84.16 0.07 12.78 2.14 0.25 0.01 0.05 0.00 84.60 0.17 65 G E E 22.26 9.25 18.32 28.42 135.47 154.70 -144.15 176.75 24.93 74.97 0.10 20.90 3.14 0.35 0.03 0.07 0.00 74.94 0.58 66 R E E 146.03 5.62 17.35 24.54 117.64 -82.46 -97.16 136.19 25.22 74.64 0.14 20.54 4.54 0.43 0.04 0.11 0.00 71.65 2.69 67 A E E 33.82 14.31 12.08 26.63 123.64 -161.73 -101.17 151.91 43.93 55.82 0.25 33.75 8.91 0.87 0.05 0.22 0.00 55.44 0.76 68 K E E 123.12 4.94 18.53 24.40 114.54 -109.71 -83.44 140.41 43.52 56.20 0.27 34.56 6.99 0.68 0.05 0.22 0.00 57.06 0.44 69 K E E 97.63 10.12 14.97 25.88 118.08 -119.66 -88.35 140.04 23.98 75.64 0.38 21.20 2.04 0.37 0.12 0.24 0.00 75.52 0.50 70 L E E 47.69 12.82 14.17 28.19 121.27 -144.52 -111.42 133.82 5.70 93.92 0.37 5.34 0.38 0.14 0.18 0.18 0.00 93.51 0.27 71 T E E 52.87 8.09 17.38 27.17 118.10 -149.38 -104.55 130.54 2.50 97.31 0.19 2.32 0.13 0.04 0.08 0.07 0.00 97.28 0.09 72 V E E 43.00 11.62 14.59 27.88 120.09 -163.05 -111.87 131.31 2.58 97.26 0.15 2.27 0.17 0.04 0.05 0.06 0.00 97.35 0.06 73 Y E E 86.73 8.42 15.25 25.51 122.64 -166.91 -115.90 138.73 4.03 95.82 0.15 3.56 0.31 0.08 0.04 0.06 0.00 95.80 0.14 74 K E E 95.42 7.27 14.70 23.57 120.92 -156.83 -112.19 133.95 14.12 85.68 0.20 11.71 1.91 0.31 0.05 0.12 0.00 85.62 0.28 75 Y E E 103.72 7.67 10.92 20.48 117.82 -148.89 -103.92 134.20 38.11 61.54 0.35 30.29 7.11 0.89 0.09 0.26 0.00 60.43 0.91 76 K C C 105.81 4.20 10.51 16.63 115.36 -150.28 -98.76 130.78 73.15 25.39 1.46 55.05 14.02 3.12 0.34 1.20 0.00 24.97 1.30 77 P C T 102.15 2.74 8.89 13.26 99.99 -117.09 -63.84 -22.12 79.88 4.27 15.85 19.58 23.61 37.40 2.01 13.39 0.01 3.19 0.80 78 K C T 169.42 0.68 9.52 9.80 100.89 48.88 -84.02 2.30 78.35 4.21 17.44 20.72 22.73 35.56 2.30 14.77 0.01 2.79 1.11 79 K C T 137.55 2.13 8.61 12.03 109.48 38.47 -101.98 112.72 81.85 3.65 14.50 14.63 23.87 43.72 1.53 12.92 0.01 2.39 0.94 80 N C T 120.86 2.26 9.85 13.51 100.46 -119.89 -29.56 47.81 87.25 7.77 4.98 21.96 18.92 46.31 0.68 4.40 0.00 6.99 0.75 81 Y C C 116.40 5.83 9.08 16.84 120.60 147.18 -106.90 137.75 53.71 44.38 1.91 42.78 7.77 3.00 0.52 1.60 0.00 41.13 3.19 82 H E E 120.71 4.99 11.11 18.02 120.49 -159.35 -112.47 136.06 39.78 59.28 0.94 33.28 4.47 1.74 0.23 0.65 0.00 58.71 0.91 83 K E E 111.95 6.21 12.08 20.16 122.41 -157.20 -114.33 137.93 28.68 70.71 0.61 23.12 3.93 1.18 0.14 0.42 0.00 70.72 0.49 84 K E E 110.64 8.41 12.34 22.15 121.86 -158.94 -112.35 137.95 19.13 80.33 0.54 15.22 2.70 0.89 0.13 0.36 0.00 80.24 0.46 85 Q E E 102.22 5.93 14.81 22.47 123.60 -167.32 -119.68 140.49 14.26 85.41 0.33 11.24 2.18 0.70 0.08 0.22 0.00 85.09 0.49 86 G E E 30.10 10.69 12.62 23.95 129.16 -149.37 -126.34 170.38 16.86 82.95 0.20 13.38 2.98 0.37 0.06 0.14 0.00 82.60 0.48 87 H E E 99.80 7.16 16.25 24.62 123.91 -126.55 -116.88 142.73 18.57 81.32 0.11 16.77 1.46 0.20 0.03 0.08 0.00 79.66 1.79 88 R E E 113.85 10.77 14.03 25.53 117.06 -131.52 -94.49 134.94 41.51 58.43 0.06 36.74 3.91 0.32 0.01 0.06 0.00 57.08 1.88 89 Q C C 74.60 10.12 16.18 27.28 119.16 -147.42 -102.63 134.50 61.79 38.19 0.02 57.07 3.33 0.12 0.00 0.02 0.00 39.01 0.46 90 P C C 61.07 10.10 17.73 28.44 112.66 -112.99 -69.05 143.64 56.32 43.66 0.03 51.97 2.38 0.12 0.00 0.02 0.00 45.13 0.37 91 Y E E 58.66 14.88 17.19 32.28 134.85 -166.24 -136.85 153.15 10.61 89.38 0.02 9.58 0.79 0.05 0.00 0.01 0.00 88.87 0.69 92 T E E 26.20 16.00 18.45 35.01 123.57 -132.43 -111.16 140.40 4.75 95.25 0.00 4.39 0.16 0.01 0.00 0.00 0.00 95.35 0.10 93 K E E 70.87 12.19 22.91 35.13 123.61 -159.62 -115.23 136.72 2.86 97.14 0.00 2.46 0.19 0.01 0.00 0.00 0.00 97.30 0.03 94 L E E 14.68 22.54 17.77 40.30 119.29 -152.76 -107.03 129.55 1.76 98.24 0.00 1.61 0.04 0.00 0.00 0.00 0.00 98.33 0.01 95 T E E 41.72 9.37 25.01 35.06 121.41 -164.04 -113.82 132.40 0.86 99.13 0.00 0.79 0.02 0.00 0.00 0.00 0.00 99.17 0.02 96 I E E 17.77 21.99 13.80 35.85 112.46 -141.10 -91.93 121.28 1.26 98.74 0.00 1.21 0.02 0.00 0.00 0.00 0.00 98.74 0.03 97 D E E 78.98 4.84 21.48 26.83 100.72 178.07 -94.68 -32.51 6.88 93.09 0.03 4.30 1.85 0.15 0.00 0.02 0.00 93.66 0.03 98 A E E 50.72 4.98 23.02 28.63 139.56 0.20 -155.68 155.05 4.98 94.97 0.05 3.60 0.82 0.13 0.00 0.03 0.00 95.38 0.04 99 I E E 39.66 20.97 11.38 31.15 121.69 -150.06 -119.61 128.93 5.51 94.47 0.02 5.15 0.26 0.03 0.00 0.01 0.00 94.03 0.51 100 N E E 87.49 4.94 18.65 24.34 120.44 -168.19 -112.67 136.44 26.40 73.54 0.05 25.28 0.65 0.14 0.02 0.03 0.00 73.02 0.87 101 A C C 66.60 8.61 14.20 23.47 110.08 -128.46 -84.35 122.77 99.57 0.42 0.00 99.55 0.09 0.01 0.00 0.00 0.00 0.34 0.01