# 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 S C C 68.75 6.51 16.04 23.76 119.21 72.54 -99.48 141.00 99.88 0.11 0.00 99.85 0.06 0.03 0.00 0.00 0.00 0.07 0.00 1 G C C 37.82 7.08 15.56 23.70 121.62 100.40 128.70 -177.45 86.29 13.34 0.38 82.99 1.35 1.77 0.08 0.22 0.00 12.01 1.57 2 R C C 120.07 8.62 16.32 25.71 119.31 -93.27 -101.32 137.13 67.23 32.16 0.62 53.32 10.42 2.39 0.11 0.59 0.00 31.67 1.50 3 L E E 39.88 16.70 16.27 32.82 116.74 -147.40 -99.99 132.72 47.77 51.85 0.37 35.09 10.59 1.60 0.07 0.35 0.00 51.47 0.83 4 W E E 87.67 13.10 21.03 33.94 131.66 -172.83 -129.60 147.35 18.01 81.84 0.16 14.71 3.00 0.40 0.04 0.10 0.00 81.16 0.58 5 C E E 11.64 21.13 17.56 38.67 133.34 -172.12 -136.27 148.97 7.10 92.87 0.03 6.25 0.67 0.06 0.01 0.02 0.00 92.84 0.16 6 K E E 90.38 9.23 25.53 35.12 120.57 -135.11 -105.28 136.22 3.81 96.18 0.01 3.24 0.29 0.02 0.00 0.00 0.00 96.40 0.05 7 A E E 5.68 23.91 16.63 40.67 135.86 168.93 -141.28 157.45 2.58 97.41 0.00 2.27 0.10 0.00 0.00 0.00 0.00 97.62 0.02 8 I E E 51.56 9.79 26.27 37.06 121.25 -134.73 -114.13 133.29 0.43 99.57 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.00 9 F E E 24.17 22.51 17.12 39.59 112.25 -129.87 -83.12 125.96 0.32 99.68 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.69 0.01 10 A E E 36.46 10.14 23.07 33.94 102.09 177.14 -99.09 -25.19 4.16 95.81 0.03 3.07 0.69 0.10 0.00 0.02 0.00 96.06 0.06 11 G E E 14.29 10.45 23.57 34.98 145.31 -31.73 171.80 173.50 15.84 84.08 0.08 10.20 5.09 0.49 0.01 0.05 0.00 83.97 0.19 12 Y E E 63.63 17.90 15.96 33.28 132.11 -130.92 -135.20 150.67 26.53 73.08 0.39 24.36 1.84 0.34 0.19 0.20 0.00 70.77 2.30 13 K C C 89.77 8.68 17.83 27.41 118.30 -133.50 -100.99 133.68 58.29 40.79 0.92 48.91 6.64 1.63 0.35 0.63 0.00 37.26 4.57 14 R C C 132.27 7.42 13.58 22.31 114.36 -141.84 -92.19 133.21 73.74 23.76 2.50 42.35 23.36 9.37 0.67 1.98 0.02 18.73 3.52 15 G C C 33.56 5.90 12.07 19.51 123.72 45.03 115.89 170.65 83.72 11.52 4.76 42.17 26.53 15.78 1.02 4.02 0.01 7.31 3.16 16 L C T 129.41 2.63 10.74 14.35 99.07 -84.38 -71.83 -24.62 80.57 3.20 16.23 13.40 30.36 37.04 1.87 14.13 0.02 1.65 1.53 17 R C T 189.84 0.82 11.93 12.20 100.01 27.60 -83.41 -20.33 81.62 1.72 16.66 8.58 28.28 44.57 1.88 14.85 0.01 0.88 0.94 18 N C S 104.80 3.79 11.20 16.34 109.71 19.58 -105.60 79.27 75.33 9.50 15.17 22.05 27.93 26.94 1.94 12.50 0.04 5.67 2.93 19 Q C C 92.59 8.28 10.53 20.15 115.51 116.15 -86.62 129.43 74.74 21.58 3.69 53.67 13.56 6.76 1.25 2.69 0.01 14.03 8.03 20 R C C 111.45 8.26 14.26 23.73 116.89 -158.28 -102.26 127.89 75.32 22.38 2.30 63.93 7.38 3.05 0.77 1.61 0.00 17.43 5.83 21 E C S 103.11 7.48 17.47 25.74 108.96 -154.10 -75.66 132.17 82.51 16.28 1.21 19.79 37.38 26.08 0.13 1.15 0.00 14.30 1.16 22 H C S 86.11 11.54 18.72 30.18 99.50 25.18 14.46 31.51 73.99 25.37 0.64 20.53 28.42 24.20 0.04 0.70 0.00 25.60 0.51 23 T E E 25.32 14.64 20.03 35.47 125.75 128.42 -114.01 145.00 28.39 71.58 0.03 25.12 2.07 0.11 0.00 0.02 0.00 72.31 0.35 24 A E E 6.26 21.55 20.51 42.14 126.56 -163.97 -123.58 142.96 1.90 98.10 0.00 1.71 0.08 0.00 0.00 0.00 0.00 98.17 0.04 25 L E E 26.07 15.38 25.89 41.44 116.71 -144.89 -102.27 126.76 0.34 99.66 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.70 0.00 26 L E E 4.30 25.31 20.38 46.00 120.13 -162.35 -110.31 130.16 0.51 99.49 0.00 0.40 0.02 0.00 0.00 0.00 0.00 99.57 0.00 27 K E E 72.67 11.23 27.11 38.45 119.01 -162.61 -113.35 126.71 0.34 99.66 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.70 0.00 28 I E E 7.11 24.58 17.14 42.16 118.17 -164.95 -111.86 126.32 1.62 98.38 0.00 1.54 0.03 0.00 0.00 0.00 0.00 98.38 0.05 29 E E E 91.22 7.38 24.38 32.01 122.92 -157.66 -100.99 144.04 11.14 88.80 0.06 3.66 3.84 2.40 0.00 0.06 0.00 89.90 0.13 30 G E E 32.03 6.50 23.59 31.40 96.32 21.05 79.79 12.08 36.34 63.59 0.08 7.42 18.74 7.23 0.00 0.09 0.00 66.33 0.18 31 V E E 9.82 23.42 12.36 35.97 112.64 149.22 -85.09 125.77 33.32 66.61 0.06 33.17 0.68 0.05 0.03 0.03 0.00 62.21 3.81 32 Y C C 117.40 7.20 22.10 30.02 104.38 169.52 -111.11 -12.19 84.96 14.97 0.07 70.45 14.85 0.34 0.02 0.05 0.00 12.78 1.51 33 A C S 43.89 5.88 22.03 28.30 130.16 43.67 -125.18 153.99 95.38 1.96 2.67 17.47 76.79 1.37 2.64 0.25 0.00 0.68 0.79 34 R H H 118.76 11.91 14.23 26.49 91.79 -114.37 -58.99 -38.67 4.55 0.01 95.44 0.40 0.63 3.27 89.90 5.78 0.01 0.00 0.01 35 D H H 107.50 1.54 21.15 21.58 91.39 53.70 -63.76 -37.75 3.06 0.01 96.93 0.41 0.26 2.19 90.27 6.86 0.00 0.00 0.00 36 E H H 51.32 12.00 18.11 30.83 92.34 49.32 -67.35 -38.35 1.84 0.02 98.14 0.42 0.18 1.12 90.99 7.27 0.00 0.01 0.00 37 T H H 3.91 25.22 13.27 38.64 91.80 52.24 -65.85 -38.97 1.87 0.00 98.12 0.27 0.15 1.25 93.41 4.91 0.00 0.00 0.00 38 E H H 101.13 8.06 22.08 30.73 91.13 56.54 -62.92 -36.22 4.02 0.01 95.97 0.18 0.13 3.66 73.30 22.72 0.00 0.00 0.00 39 F H H 101.03 6.77 23.41 30.52 91.31 56.32 -67.76 -28.37 13.11 0.00 86.88 0.15 0.21 13.67 62.29 23.67 0.00 0.00 0.00 40 Y H H 9.95 23.40 17.36 41.20 95.18 47.37 -91.72 -8.43 30.95 0.04 69.01 0.69 0.79 29.47 44.88 24.11 0.01 0.02 0.03 41 L C T 43.10 17.89 17.20 35.23 111.68 114.04 -62.44 132.53 97.24 0.69 2.07 0.65 1.10 96.20 0.94 0.34 0.00 0.19 0.58 42 G C T 35.72 6.86 22.85 30.95 95.31 20.98 87.46 -5.00 99.48 0.25 0.27 0.49 1.59 97.59 0.05 0.11 0.00 0.15 0.02 43 K C C 61.36 15.01 20.09 34.96 119.39 129.67 -78.21 147.95 96.84 3.15 0.01 90.51 6.14 0.07 0.00 0.01 0.00 3.17 0.10 44 R E E 88.22 13.71 23.93 37.00 120.67 -133.98 -97.98 139.93 3.04 96.96 0.00 3.25 0.06 0.00 0.00 0.00 0.00 95.77 0.91 45 C E E 4.19 23.87 20.44 44.21 137.00 -171.08 -140.29 156.56 0.49 99.51 0.00 0.44 0.02 0.00 0.00 0.00 0.00 99.53 0.01 46 A E E 10.62 18.19 25.39 43.67 123.66 -132.47 -114.03 140.22 0.17 99.83 0.00 0.15 0.01 0.00 0.00 0.00 0.00 99.85 0.00 47 Y E E 13.75 22.39 22.61 44.46 127.05 -168.15 -123.26 140.32 0.20 99.80 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 48 V E E 21.65 16.06 23.86 40.31 117.59 -151.07 -106.71 127.02 1.25 98.75 0.00 1.06 0.04 0.00 0.00 0.00 0.00 98.89 0.01 49 Y E E 26.40 18.60 18.89 37.61 128.37 -174.21 -122.69 144.45 3.46 96.53 0.01 3.03 0.21 0.01 0.00 0.00 0.00 96.63 0.12 50 K E E 96.90 7.99 22.12 30.52 117.65 -140.17 -99.26 130.41 16.30 83.64 0.06 14.33 1.52 0.14 0.01 0.04 0.00 83.26 0.70 51 A C C 19.02 17.27 10.67 27.87 116.66 -129.07 -86.59 144.16 59.42 39.56 1.01 54.60 3.10 0.87 0.28 0.69 0.00 37.97 2.48 52 K C S 141.40 2.69 16.12 19.40 99.51 -135.71 -71.87 -28.94 76.60 20.00 3.40 19.41 29.27 29.11 0.36 2.99 0.01 17.13 1.71 53 N C S 113.20 2.18 14.93 17.25 106.64 16.18 -107.42 42.90 80.19 16.63 3.18 10.76 35.72 34.42 0.26 2.80 0.01 14.66 1.38 54 N C C 105.91 6.28 11.60 19.36 99.24 -107.48 52.12 37.55 77.45 20.38 2.16 45.23 23.95 8.63 0.28 2.13 0.00 17.86 1.92 55 T C C 71.90 4.83 13.00 19.55 119.07 141.60 -101.31 141.09 57.75 41.90 0.35 43.49 11.89 1.64 0.10 0.33 0.00 37.26 5.29 56 V E B 88.02 6.10 11.58 19.50 117.01 -130.46 -95.34 132.39 26.05 73.75 0.20 22.25 2.94 0.21 0.15 0.08 0.00 34.85 39.52 57 T C C 53.73 7.39 9.26 18.61 121.25 -143.36 -91.71 156.05 94.14 5.78 0.09 91.59 2.69 0.28 0.02 0.06 0.00 4.04 1.32 58 P C T 112.36 2.11 10.50 13.96 107.36 -92.15 -62.52 134.97 96.10 1.15 2.75 3.04 6.30 86.31 0.14 3.09 0.00 0.86 0.27 59 G C T 66.52 0.53 11.10 10.60 96.70 16.80 78.25 1.06 96.38 0.21 3.41 1.40 5.74 88.61 0.15 3.89 0.00 0.13 0.08 60 G C S 52.01 2.91 10.17 14.60 102.48 -91.33 85.46 3.28 95.14 1.45 3.41 17.03 69.85 8.13 0.29 3.21 0.00 0.77 0.72 61 K C C 133.75 2.07 11.49 14.96 117.97 129.04 -89.42 142.61 95.22 4.71 0.07 79.05 16.04 0.44 0.02 0.06 0.00 3.41 0.97 62 P E B 79.19 6.29 11.77 19.66 114.50 -104.02 -65.35 148.32 25.52 74.21 0.27 21.82 1.66 0.26 0.17 0.11 0.00 28.17 47.79 63 N C C 75.41 9.43 11.97 22.50 113.76 -134.90 -91.14 137.55 75.70 23.93 0.37 62.42 10.68 1.69 0.06 0.41 0.00 23.12 1.60 64 K C C 107.83 7.65 15.69 24.40 119.99 -146.13 -105.94 134.32 59.90 39.78 0.33 46.53 11.61 1.36 0.04 0.36 0.00 37.53 2.56 65 T E E 53.02 12.31 14.92 27.91 124.75 -166.27 -115.66 139.20 34.14 65.79 0.07 30.57 2.64 0.20 0.01 0.06 0.00 65.67 0.85 66 R E E 86.11 12.27 17.73 30.41 122.25 -163.03 -113.87 134.24 10.83 89.16 0.02 9.97 0.71 0.03 0.00 0.01 0.00 88.54 0.74 67 V E E 46.42 13.21 19.68 33.43 121.11 -152.76 -110.82 132.06 6.89 93.11 0.00 6.24 0.53 0.01 0.00 0.00 0.00 93.10 0.12 68 I E E 21.78 18.66 18.70 37.63 120.71 -164.36 -111.12 130.28 2.75 97.25 0.00 2.65 0.08 0.00 0.00 0.00 0.00 97.19 0.07 69 W E E 83.99 12.12 23.23 35.33 125.00 -170.00 -117.85 138.64 2.84 97.15 0.00 2.42 0.31 0.02 0.00 0.00 0.00 97.15 0.10 70 G E E 11.33 15.01 20.54 35.74 142.42 150.09 -154.57 -172.80 4.07 95.93 0.00 2.86 0.86 0.06 0.00 0.00 0.00 96.18 0.03 71 K E E 95.66 7.06 25.11 32.99 122.93 -80.74 -106.18 142.89 3.12 96.87 0.00 2.70 0.21 0.01 0.00 0.00 0.00 96.99 0.09 72 V E E 19.08 22.54 13.76 36.66 110.28 -115.01 -75.31 126.10 4.39 95.60 0.01 4.30 0.11 0.01 0.00 0.00 0.00 95.37 0.20 73 T E E 63.12 6.86 21.64 29.51 101.60 176.91 -100.55 -25.58 16.07 83.92 0.02 10.84 4.60 0.18 0.00 0.02 0.00 84.23 0.14 74 R E E 116.31 3.94 23.48 28.13 136.90 2.13 -151.73 151.48 10.10 89.88 0.02 6.61 3.22 0.21 0.00 0.02 0.00 89.76 0.18 75 A E E 45.35 16.42 14.30 30.12 115.95 -112.44 -82.91 136.67 20.34 79.58 0.08 19.66 0.71 0.08 0.02 0.05 0.00 77.99 1.48 76 H E E 70.93 10.72 15.17 26.90 110.54 -145.84 -96.27 119.00 47.64 51.97 0.39 43.33 2.74 0.58 0.18 0.25 0.00 45.46 7.47 77 G C T 45.09 6.02 15.87 22.99 107.87 -144.65 4.81 -125.73 87.12 2.32 10.55 5.65 20.89 59.32 0.26 11.71 0.00 1.66 0.52 78 N C T 123.51 3.35 15.68 19.04 96.01 1.68 -74.96 -18.80 86.21 1.05 12.74 1.67 13.48 69.84 0.27 13.75 0.00 0.64 0.36 79 S C T 57.71 6.63 16.79 24.26 97.71 47.43 -96.23 -4.46 87.08 0.48 12.44 1.66 10.90 72.63 0.27 14.05 0.00 0.28 0.20 80 G C T 20.69 12.68 15.97 29.74 96.05 -111.88 82.31 9.24 97.16 1.20 1.63 20.30 24.24 52.55 0.17 1.67 0.00 0.84 0.22 81 M E E 48.63 11.83 19.74 32.66 119.36 138.92 -83.22 144.45 49.34 50.61 0.05 45.80 2.98 0.17 0.01 0.04 0.00 48.93 2.06 82 V E E 12.27 21.57 18.10 40.12 120.03 -143.32 -108.38 133.33 3.08 96.91 0.00 3.09 0.10 0.00 0.00 0.00 0.00 95.81 0.99 83 R E E 80.69 11.69 25.93 37.63 119.73 -155.54 -107.25 132.56 3.42 96.58 0.00 3.23 0.09 0.00 0.00 0.00 0.00 96.62 0.06 84 A E E 5.49 24.51 16.80 41.54 126.49 -171.83 -120.23 142.31 3.80 96.20 0.00 3.71 0.07 0.00 0.00 0.00 0.00 96.19 0.03 85 K E E 92.16 7.89 26.05 34.59 122.60 -159.18 -120.67 134.08 1.24 98.76 0.00 1.24 0.03 0.00 0.00 0.00 0.00 98.52 0.20 86 F E E 22.75 22.51 12.78 34.83 117.58 -146.96 -94.96 133.88 8.22 91.77 0.01 8.57 0.13 0.01 0.00 0.00 0.00 90.16 1.12 87 R C C 143.81 4.11 20.66 25.29 97.49 -161.20 -86.16 -21.46 82.84 16.50 0.66 44.27 34.27 3.61 0.03 0.82 0.00 16.46 0.54 88 S C S 54.00 4.42 20.70 25.40 136.66 15.27 -144.93 167.41 94.05 5.28 0.68 5.44 71.16 17.54 0.02 0.78 0.00 4.64 0.40 89 N C C 100.78 7.10 20.84 28.58 106.31 -81.30 -73.56 109.24 95.70 3.42 0.88 63.00 20.67 11.46 0.05 1.42 0.00 2.74 0.66 90 L C C 14.70 23.65 12.25 35.52 117.79 -152.81 -85.47 140.19 94.81 5.11 0.08 89.27 5.67 0.09 0.04 0.03 0.00 1.95 2.95 91 P C C 42.07 8.33 21.00 30.58 113.58 -106.57 -64.30 146.08 96.24 3.54 0.22 96.26 0.50 0.10 0.08 0.06 0.00 1.17 1.84 92 A H G 56.38 11.82 15.66 27.92 91.32 -116.00 -58.99 -32.81 21.95 0.16 77.89 2.47 2.56 15.67 10.49 68.66 0.00 0.10 0.05 93 K H G 141.11 3.12 20.73 24.52 90.00 64.03 -67.55 -20.65 17.97 0.11 81.92 1.23 1.59 13.93 11.52 71.64 0.00 0.07 0.03 94 A H G 11.89 20.34 14.81 35.15 92.95 61.00 -79.45 -15.78 14.49 0.13 85.38 1.94 1.76 9.47 10.07 76.65 0.00 0.09 0.03 95 I C T 54.79 17.81 16.12 32.97 111.02 96.72 -73.19 129.01 67.97 0.74 31.29 1.95 3.85 62.36 11.70 19.08 0.05 0.37 0.64 96 G C T 43.37 5.24 21.84 27.78 96.53 20.32 85.98 -3.01 93.32 0.39 6.29 4.46 5.10 84.49 1.79 3.77 0.00 0.24 0.14 97 H C C 56.54 15.09 16.30 31.55 118.10 126.08 -81.75 146.31 95.04 4.70 0.27 81.15 13.15 0.77 0.06 0.20 0.00 4.11 0.54 98 R E E 118.11 7.81 23.18 31.49 116.83 -126.38 -92.98 134.19 32.07 67.83 0.10 30.57 1.46 0.16 0.03 0.07 0.00 65.17 2.53 99 I E E 13.05 24.69 14.64 39.41 123.73 -164.26 -116.25 136.46 8.30 91.69 0.01 8.03 0.22 0.01 0.00 0.00 0.00 91.54 0.20 100 R E E 94.73 8.20 25.42 34.08 120.59 -155.81 -109.14 134.27 2.40 97.59 0.00 2.29 0.06 0.00 0.00 0.00 0.00 97.61 0.04 101 V E E 23.65 22.27 15.91 37.97 121.86 -159.34 -113.74 130.63 2.70 97.30 0.00 2.67 0.04 0.00 0.00 0.00 0.00 97.22 0.06 102 M E E 69.10 8.31 22.36 31.44 123.86 -170.45 -119.58 137.55 8.04 91.95 0.01 7.59 0.21 0.01 0.00 0.01 0.00 91.97 0.20 103 L E E 67.31 13.52 15.73 29.49 114.90 -136.28 -86.40 132.68 25.58 74.34 0.08 22.43 2.45 0.22 0.02 0.06 0.00 74.22 0.60 104 Y C C 92.00 9.94 13.43 24.66 118.98 -148.10 -104.80 131.90 75.29 24.25 0.46 66.88 7.00 0.73 0.08 0.41 0.00 24.09 0.81 105 P C C 82.62 5.41 13.22 20.09 104.72 -124.47 -69.23 127.24 74.72 9.95 15.34 42.86 14.49 16.05 1.02 16.15 0.00 8.65 0.78 106 S C C 74.35 4.90 9.91 16.45 107.95 -120.66 -86.59 87.02 78.52 4.68 16.79 35.11 19.78 22.58 1.06 17.40 0.00 3.15 0.92 107 R C C 166.25 2.67 9.87 14.19 107.31 -151.39 -88.76 75.56 81.10 5.56 13.33 64.51 5.10 10.58 1.49 12.98 0.00 4.00 1.34 108 I C C 104.99 6.19 10.16 17.86 110.45 105.05 -91.30 105.78 99.84 0.14 0.02 99.80 0.08 0.04 0.01 0.00 0.00 0.07 0.01