# 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 71.84 13.75 16.28 29.77 118.87 -155.75 -94.93 132.01 99.89 0.10 0.00 99.85 0.07 0.02 0.00 0.00 0.00 0.06 0.01 1 K C C 121.59 6.19 21.55 28.19 110.15 -135.34 -85.36 119.68 91.31 8.47 0.21 89.24 1.56 1.02 0.07 0.10 0.00 4.98 3.03 2 V C C 10.70 24.40 10.58 34.33 120.15 -156.92 -103.04 135.20 86.45 13.43 0.12 81.38 4.58 0.18 0.07 0.05 0.00 3.99 9.75 3 H C C 97.42 4.28 23.79 28.08 130.09 -167.18 -116.35 157.67 98.75 1.22 0.03 98.55 0.47 0.04 0.01 0.01 0.00 0.38 0.54 4 K C T 122.85 8.68 15.39 25.30 109.92 -84.58 -60.00 135.05 99.62 0.29 0.09 0.13 0.95 98.69 0.00 0.05 0.00 0.14 0.03 5 G C T 42.88 4.31 19.51 24.76 96.47 25.53 89.64 -6.91 99.91 0.06 0.03 0.13 0.97 98.83 0.00 0.02 0.00 0.04 0.00 6 D C C 33.39 14.00 16.01 31.16 118.76 132.18 -72.00 147.71 97.91 2.09 0.00 97.10 0.92 0.02 0.00 0.00 0.00 1.88 0.07 7 T E E 51.45 9.91 24.33 34.77 117.07 -125.73 -92.63 132.89 2.58 97.41 0.01 2.70 0.08 0.01 0.00 0.00 0.00 96.28 0.92 8 V E E 3.01 25.54 18.16 44.32 131.72 -173.69 -131.29 150.45 1.45 98.53 0.02 1.29 0.10 0.03 0.01 0.01 0.00 98.50 0.06 9 L E E 36.16 11.91 26.47 39.38 118.03 -134.58 -105.56 130.34 2.58 97.23 0.19 2.34 0.22 0.11 0.07 0.10 0.00 97.03 0.13 10 V E E 7.92 22.74 17.20 40.74 109.38 -124.04 -77.02 122.23 17.62 82.27 0.11 17.21 0.56 0.09 0.03 0.07 0.00 81.17 0.88 11 I C C 53.63 10.96 21.71 33.52 99.89 175.97 -99.50 -25.88 88.69 10.87 0.43 59.67 25.12 3.49 0.06 0.47 0.00 10.49 0.71 12 S C S 48.49 5.22 22.48 28.33 141.36 10.91 -153.18 159.35 96.00 3.36 0.63 10.12 78.46 7.73 0.08 0.52 0.00 2.05 1.04 13 G C S 36.82 4.22 18.75 24.19 127.97 34.90 95.60 -163.97 94.33 1.44 4.22 6.75 78.44 9.55 0.45 3.16 0.00 0.55 1.09 14 K C T 156.97 2.24 18.41 21.08 93.39 -45.69 -69.08 -22.36 89.48 0.84 9.67 1.62 17.85 70.04 0.45 9.07 0.00 0.42 0.53 15 D C T 36.12 16.01 12.58 28.84 96.21 51.75 -97.74 9.01 91.82 0.77 7.41 4.35 10.18 76.21 0.46 7.97 0.00 0.46 0.38 16 K C T 105.53 10.35 14.21 25.87 110.69 131.62 -61.22 131.80 97.18 0.70 2.12 1.26 2.27 94.02 0.24 1.49 0.00 0.30 0.40 17 G C T 49.51 3.72 20.21 24.40 94.38 21.31 85.39 -2.73 98.61 0.36 1.03 1.08 2.61 95.03 0.07 0.89 0.00 0.26 0.06 18 A C C 30.32 13.29 16.35 30.64 117.57 129.76 -74.33 146.85 97.22 2.61 0.16 92.15 4.41 0.64 0.03 0.15 0.00 2.38 0.23 19 K E E 110.41 8.36 22.13 31.64 125.68 -150.05 -114.24 142.85 12.71 87.24 0.05 11.85 0.86 0.07 0.02 0.03 0.00 82.81 4.36 20 G E E 7.87 16.80 20.41 37.43 144.11 148.49 -161.59 -175.31 4.69 95.30 0.01 3.65 0.85 0.04 0.00 0.00 0.00 95.38 0.08 21 K E E 85.71 7.83 26.30 35.17 121.56 -85.98 -102.49 140.43 1.00 98.99 0.00 0.87 0.05 0.00 0.00 0.00 0.00 99.06 0.02 22 V E E 6.19 24.71 14.89 40.65 109.03 -113.20 -74.62 125.29 0.69 99.31 0.00 0.66 0.01 0.00 0.00 0.00 0.00 99.32 0.01 23 L E E 64.70 8.32 23.28 32.44 100.98 175.71 -97.68 -32.76 1.67 98.33 0.00 0.96 0.48 0.01 0.00 0.00 0.00 98.55 0.00 24 Q E E 77.21 6.02 25.73 32.77 140.43 -0.39 -154.77 150.67 0.34 99.66 0.00 0.22 0.04 0.00 0.00 0.00 0.00 99.73 0.00 25 A E E 21.41 22.11 13.93 35.14 127.00 -164.29 -132.10 134.31 0.72 99.27 0.00 0.60 0.04 0.00 0.00 0.00 0.00 99.35 0.02 26 Y E E 64.71 7.69 19.11 28.72 110.70 -162.96 -114.98 105.80 7.89 92.09 0.02 7.35 0.39 0.03 0.01 0.01 0.00 91.78 0.44 27 P C T 68.65 10.72 13.30 25.25 93.86 -176.09 -65.01 -31.78 64.16 0.66 35.18 1.27 2.58 57.65 0.41 37.54 0.00 0.48 0.07 28 D C T 125.47 0.70 16.19 15.16 92.97 53.23 -69.22 -33.84 68.23 0.23 31.54 0.69 2.22 63.06 0.43 33.42 0.00 0.13 0.05 29 R C T 131.63 3.68 15.83 20.10 97.59 32.56 -97.32 -4.05 69.65 0.13 30.22 0.90 2.75 62.27 0.34 33.62 0.00 0.07 0.04 30 N C T 65.54 12.35 15.17 28.39 94.47 -127.62 56.77 43.46 99.71 0.09 0.21 2.90 2.67 94.20 0.02 0.13 0.00 0.07 0.01 31 R E E 63.19 11.53 21.90 34.16 136.82 126.10 -134.67 156.73 4.63 95.36 0.00 3.87 0.34 0.03 0.00 0.00 0.00 95.63 0.14 32 V E E 4.02 24.72 18.28 43.87 122.43 -147.49 -118.01 133.71 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 33 L E E 35.32 11.63 26.62 39.30 117.37 -153.21 -104.67 127.44 0.12 99.88 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.90 0.00 34 V E E 5.38 24.59 17.45 42.58 117.41 -166.55 -112.29 123.80 0.88 99.12 0.00 0.75 0.03 0.00 0.00 0.00 0.00 99.19 0.02 35 E E E 88.42 7.83 23.62 31.65 116.91 -142.83 -83.99 140.60 25.46 73.48 1.06 9.84 6.96 9.14 0.08 0.92 0.00 72.75 0.30 36 G C S 29.21 8.55 21.64 30.96 98.09 18.90 80.01 7.49 78.96 19.09 1.95 22.29 35.47 20.42 0.14 1.83 0.00 19.22 0.63 37 V C C 25.21 20.59 15.61 35.21 98.75 124.82 -75.93 -25.06 72.48 19.51 8.01 28.79 19.30 25.41 0.62 7.74 0.01 16.59 1.54 38 N C T 72.31 11.05 19.73 30.62 99.77 56.38 -92.28 10.25 65.83 27.02 7.14 19.88 21.46 25.68 0.48 6.80 0.01 24.28 1.40 39 R E E 107.74 9.19 19.02 28.78 115.76 121.25 -97.87 128.39 46.94 48.82 4.24 35.79 8.53 3.58 0.80 3.43 0.00 45.91 1.94 40 I E E 58.51 15.26 13.62 28.77 122.79 -168.99 -115.52 135.71 19.69 79.90 0.42 17.48 2.12 0.43 0.22 0.24 0.00 76.12 3.40 41 K E E 110.65 7.14 16.57 24.95 119.28 -151.38 -104.69 131.56 18.36 81.27 0.37 16.08 1.77 0.45 0.16 0.22 0.00 80.18 1.14 42 K E E 111.44 8.06 14.60 24.00 120.74 -153.17 -108.73 136.71 26.66 72.39 0.95 21.35 4.26 1.23 0.37 0.56 0.00 71.27 0.95 43 H E E 92.09 10.14 12.03 23.11 118.43 -144.80 -99.14 133.96 39.37 59.23 1.40 32.24 5.45 1.48 0.58 0.81 0.00 57.88 1.56 44 T C E 75.48 6.00 13.83 21.42 120.55 -160.74 -108.66 138.59 49.25 49.00 1.74 41.04 6.01 1.48 0.77 0.93 0.00 47.91 1.85 45 A C C 65.70 6.00 12.97 20.47 114.58 -114.75 -76.97 141.77 52.67 45.22 2.10 45.90 4.68 1.28 1.10 0.97 0.00 43.35 2.71 46 I C C 85.33 8.36 10.52 20.25 114.77 -130.60 -89.54 135.45 59.90 35.47 4.62 48.41 7.81 2.74 2.81 2.08 0.02 32.11 4.00 47 S C C 64.71 4.35 11.17 17.18 117.78 -141.04 -99.25 142.54 73.34 21.19 5.47 58.51 10.13 3.92 3.33 2.38 0.01 18.06 3.66 48 T C C 95.39 3.78 9.53 15.07 102.52 -144.34 -83.48 -10.10 72.27 9.44 18.28 37.61 20.59 14.71 10.66 7.34 0.05 6.92 2.13 49 T C C 104.14 1.77 10.50 13.14 101.65 65.59 -84.16 -5.58 73.45 4.13 22.43 31.28 22.04 21.28 11.95 9.43 0.05 2.43 1.53 50 Q C C 117.07 3.50 9.19 14.29 106.55 63.61 -89.74 37.72 67.87 3.26 28.86 25.31 20.93 23.28 13.23 13.90 0.06 1.63 1.65 51 R C T 168.68 2.33 10.37 14.09 104.33 -60.39 -78.16 55.46 70.50 2.91 26.60 15.37 15.09 40.45 11.55 14.35 0.12 1.51 1.57 52 G C T 52.42 2.88 11.67 15.82 104.13 3.44 76.27 -4.64 75.98 4.69 19.33 20.93 17.35 39.06 6.24 11.90 0.05 2.82 1.66 53 A C C 62.30 6.03 9.86 17.51 106.92 94.44 -84.05 82.80 67.99 13.36 18.65 39.70 14.99 14.57 6.08 12.03 0.05 9.28 3.30 54 R C C 150.63 4.19 12.33 18.13 108.77 91.50 -90.46 89.70 63.26 22.52 14.22 39.08 13.75 11.76 5.18 8.69 0.13 16.47 4.94 55 S C C 75.54 4.56 13.29 19.40 112.20 -132.11 -96.04 133.60 66.43 25.88 7.69 36.30 15.18 16.68 2.33 5.10 0.04 20.33 4.05 56 G C C 36.67 8.61 12.71 22.31 120.68 -59.04 111.76 166.95 75.04 23.02 1.94 40.06 19.43 15.85 0.34 1.58 0.00 21.31 1.43 57 G C E 34.76 6.60 15.66 23.28 124.74 -143.04 111.55 170.30 57.10 42.31 0.59 37.44 15.99 3.53 0.10 0.51 0.00 41.51 0.92 58 I E E 90.80 10.46 13.57 24.73 120.54 -93.13 -106.10 134.69 15.95 83.97 0.08 13.87 1.73 0.18 0.02 0.05 0.00 83.20 0.94 59 V E E 61.88 8.63 15.74 25.84 122.75 -165.92 -118.39 135.92 4.33 95.64 0.03 4.01 0.20 0.02 0.01 0.01 0.00 95.54 0.22 60 T E E 77.00 10.23 14.55 25.67 120.04 -155.06 -109.28 132.75 5.51 94.45 0.03 4.73 0.44 0.04 0.01 0.01 0.00 94.66 0.11 61 Q E E 78.51 7.48 17.90 26.66 131.49 168.63 -135.42 149.37 7.07 92.85 0.08 6.12 0.85 0.11 0.02 0.04 0.00 92.55 0.32 62 E E E 102.05 10.33 17.20 28.04 115.84 -115.79 -81.60 135.76 18.68 81.26 0.06 16.93 1.56 0.14 0.02 0.04 0.00 80.43 0.87 63 A E E 22.40 15.23 17.27 33.00 130.37 -162.84 -131.40 149.46 40.55 59.44 0.02 37.11 2.24 0.06 0.00 0.01 0.00 60.21 0.37 64 P E E 63.11 9.79 22.70 32.55 114.20 -104.76 -70.88 143.47 32.88 67.10 0.01 29.10 2.62 0.10 0.00 0.02 0.00 67.52 0.64 65 I E E 12.36 23.19 16.10 39.35 127.62 -166.32 -127.74 143.73 10.83 89.16 0.01 10.28 0.45 0.02 0.00 0.01 0.00 82.30 6.94 66 H E E 65.60 8.88 25.12 34.66 112.87 -118.84 -79.43 130.39 25.70 74.29 0.01 27.43 0.23 0.01 0.00 0.01 0.00 69.11 3.21 67 V H G 19.84 22.83 15.89 38.59 91.70 -133.50 -60.98 -31.75 6.07 0.18 93.75 0.76 0.61 3.72 5.46 89.28 0.00 0.16 0.00 68 S H G 61.23 8.39 22.18 31.40 90.05 66.32 -70.32 -15.17 5.13 0.08 94.79 0.23 0.35 3.89 4.61 90.86 0.00 0.06 0.00 69 N H G 61.95 11.12 21.70 33.67 96.88 53.26 -99.88 4.44 6.33 0.10 93.58 0.62 0.65 4.05 3.03 91.57 0.00 0.08 0.01 70 V C C 6.40 25.38 15.92 41.95 119.43 98.40 -93.81 136.15 58.89 36.71 4.40 45.29 11.52 2.27 1.70 2.55 0.00 33.52 3.15 71 M E E 49.65 12.48 26.12 38.77 125.10 -164.62 -114.65 143.58 35.15 64.71 0.15 33.04 1.52 0.20 0.06 0.09 0.00 62.82 2.28 72 V E E 13.72 21.88 19.38 41.38 118.02 -139.35 -100.62 130.40 12.17 87.80 0.04 11.54 0.92 0.05 0.01 0.02 0.00 87.01 0.45 73 V E E 34.66 11.80 19.73 32.84 124.17 -166.47 -116.84 139.70 2.03 97.96 0.01 2.10 0.08 0.00 0.03 0.00 0.00 80.81 16.98 74 D C C 35.51 11.45 13.74 26.58 123.14 -131.59 -81.95 171.66 93.19 6.79 0.02 93.58 0.33 0.04 0.00 0.01 0.00 5.56 0.46 75 S C T 86.41 4.08 12.83 18.86 90.52 -94.05 -63.01 -20.97 99.35 0.32 0.33 3.86 5.03 90.41 0.02 0.36 0.00 0.28 0.04 76 D C T 116.36 0.97 13.99 14.03 92.34 56.10 -87.17 -1.11 99.57 0.09 0.34 1.81 5.29 92.41 0.01 0.41 0.00 0.06 0.02 77 G C S 42.12 6.68 11.71 20.02 95.69 -106.89 83.78 6.63 99.29 0.38 0.33 20.74 77.39 1.24 0.03 0.27 0.00 0.16 0.17 78 K C C 118.26 2.81 17.15 20.86 117.46 135.52 -84.97 140.59 98.64 1.35 0.01 92.52 6.25 0.09 0.00 0.01 0.00 0.84 0.28 79 P E E 64.97 11.58 14.98 27.12 114.61 -106.46 -66.75 143.99 11.35 88.60 0.05 10.72 0.43 0.03 0.05 0.02 0.00 51.72 37.02 80 T E E 24.87 16.47 15.96 32.78 129.94 -169.05 -124.65 153.23 35.88 64.09 0.04 34.61 1.03 0.07 0.01 0.03 0.00 63.80 0.46 81 R E E 100.62 9.88 22.58 32.69 118.18 -123.96 -96.12 134.82 16.98 82.98 0.04 15.39 1.25 0.08 0.01 0.03 0.00 81.17 2.07 82 I E E 23.28 20.94 16.33 36.98 118.95 -150.21 -103.79 133.22 15.70 84.27 0.03 14.24 1.08 0.10 0.01 0.02 0.00 84.22 0.33 83 G E E 12.80 11.60 21.46 34.00 136.65 165.31 -140.20 172.79 6.51 93.47 0.02 5.48 0.61 0.06 0.00 0.01 0.00 93.67 0.18 84 Y E E 86.59 14.50 16.66 31.09 130.63 -129.06 -130.96 146.47 3.87 96.12 0.01 3.36 0.30 0.02 0.00 0.01 0.00 96.15 0.16 85 R E E 102.87 8.07 17.70 26.94 128.48 -172.72 -129.16 143.29 3.53 96.45 0.02 3.01 0.36 0.04 0.00 0.01 0.00 96.44 0.14 86 V E E 74.18 8.09 12.99 22.70 117.71 -131.97 -100.70 131.00 7.40 92.53 0.07 6.67 0.64 0.09 0.03 0.04 0.00 90.58 1.95 87 D C C 49.40 7.56 9.54 19.48 110.16 -135.35 -86.30 117.61 72.21 27.67 0.12 69.87 1.29 0.31 0.03 0.07 0.00 27.45 0.98 88 E C T 153.43 1.50 10.66 13.42 93.35 -154.55 -66.71 -28.02 98.45 0.45 1.10 4.13 7.40 86.82 0.10 1.09 0.00 0.36 0.10 89 E C T 159.14 0.56 11.31 10.87 96.40 48.00 -74.47 -38.88 98.79 0.21 1.00 1.62 5.35 91.81 0.05 0.96 0.00 0.14 0.06 90 T C T 86.78 2.19 10.77 13.82 100.33 23.16 -101.96 -14.02 99.30 0.13 0.58 2.43 5.32 91.54 0.04 0.55 0.00 0.09 0.03 91 G C C 46.00 4.20 10.50 16.72 96.26 -124.11 75.67 8.51 99.12 0.60 0.28 64.76 8.72 25.63 0.05 0.25 0.00 0.47 0.13 92 K C C 109.30 3.44 13.92 18.86 119.92 139.90 -84.76 145.33 77.55 22.41 0.04 73.78 2.97 0.19 0.00 0.03 0.00 22.45 0.57 93 R E E 121.04 8.56 13.86 23.70 116.32 -122.76 -85.88 133.88 2.00 97.99 0.00 1.95 0.08 0.00 0.00 0.00 0.00 97.18 0.78 94 V E E 31.29 13.10 15.59 30.13 128.57 -174.67 -126.19 147.54 1.70 98.30 0.00 1.56 0.04 0.00 0.00 0.00 0.00 98.38 0.02 95 R E E 82.07 11.77 19.47 31.82 118.17 -132.73 -100.20 131.63 1.59 98.41 0.00 1.38 0.05 0.00 0.00 0.00 0.00 98.54 0.02 96 I E E 23.60 14.28 17.97 33.68 127.52 -173.41 -125.42 144.57 1.08 98.92 0.00 1.03 0.06 0.00 0.00 0.00 0.00 97.93 0.98 97 S E E 14.03 13.11 15.45 30.80 110.80 -112.80 -73.03 132.44 15.69 84.29 0.02 15.71 0.31 0.03 0.01 0.01 0.00 82.45 1.48 98 K C T 97.33 10.16 15.60 26.80 93.38 -142.54 -66.62 -29.34 99.29 0.39 0.32 0.45 3.57 95.38 0.01 0.26 0.00 0.27 0.05 99 R C T 157.91 2.71 16.34 19.79 96.74 48.98 -75.42 -38.90 99.38 0.25 0.36 0.18 2.18 97.18 0.01 0.27 0.00 0.12 0.07 100 N C T 91.75 3.23 14.84 18.79 100.88 21.55 -106.48 -12.55 99.61 0.12 0.27 0.54 2.76 96.36 0.01 0.24 0.00 0.07 0.03 101 G C C 39.55 8.25 11.88 21.58 94.90 -120.11 78.43 8.34 99.27 0.49 0.25 72.83 6.76 19.69 0.05 0.18 0.00 0.33 0.15 102 K C C 110.72 3.47 15.47 20.51 118.15 144.37 -78.73 144.87 85.66 14.26 0.07 77.28 8.22 0.41 0.02 0.06 0.00 12.62 1.39 103 D E B 92.94 6.11 15.68 23.34 111.75 -107.16 -71.69 132.63 5.17 94.78 0.05 4.37 0.28 0.01 0.07 0.01 0.00 41.71 53.55 104 I C C 40.92 17.84 13.42 30.56 104.40 -160.17 -92.70 29.44 97.94 2.06 0.00 98.04 0.09 0.02 0.00 0.00 0.00 1.82 0.03