# 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 98.78 8.38 14.98 24.28 116.80 -155.32 -93.43 135.56 99.89 0.11 0.00 99.89 0.04 0.01 0.00 0.00 0.00 0.06 0.01 1 K C C 124.43 6.53 14.41 22.63 119.12 -153.91 -102.46 134.74 90.05 9.11 0.84 88.98 0.76 1.35 0.29 0.36 0.00 5.86 2.39 2 T C C 44.39 14.96 12.86 27.80 120.61 -153.71 -103.88 135.89 89.19 9.93 0.88 70.54 13.80 4.60 0.17 0.89 0.00 8.31 1.69 3 K C C 110.21 7.18 22.89 30.25 107.16 -145.47 -87.96 100.78 86.99 12.32 0.70 66.30 17.31 3.07 0.17 0.65 0.00 9.02 3.48 4 L C C 6.31 25.86 11.74 37.62 120.03 100.29 -101.09 135.90 87.96 11.87 0.17 82.81 5.11 0.18 0.09 0.08 0.00 4.42 7.32 5 K C C 98.40 4.77 24.91 30.00 130.65 -167.44 -122.25 158.55 98.91 1.07 0.03 98.64 0.51 0.03 0.01 0.01 0.00 0.36 0.43 6 I C T 95.34 10.77 15.77 27.13 109.99 -83.76 -59.97 135.22 99.65 0.26 0.09 0.13 0.97 98.70 0.00 0.04 0.00 0.11 0.04 7 G C T 42.88 4.32 20.16 25.40 95.69 25.22 88.84 -6.65 99.93 0.05 0.02 0.15 0.99 98.82 0.00 0.01 0.00 0.03 0.00 8 D C C 31.22 14.70 15.92 31.66 118.39 132.30 -71.81 148.20 97.82 2.18 0.00 96.94 0.93 0.02 0.00 0.00 0.00 2.04 0.06 9 S E E 43.23 9.37 24.59 34.49 116.92 -122.56 -89.34 135.04 2.66 97.33 0.01 2.79 0.07 0.00 0.00 0.00 0.00 96.22 0.91 10 V E E 3.20 25.80 16.81 43.33 132.79 -174.84 -133.23 153.50 1.13 98.87 0.00 1.03 0.05 0.01 0.00 0.00 0.00 98.86 0.04 11 K E E 74.11 9.49 26.83 37.05 120.19 -139.74 -108.97 133.08 1.81 98.16 0.03 1.70 0.11 0.03 0.01 0.02 0.00 98.03 0.11 12 I E E 11.42 22.56 16.06 39.31 109.34 -121.71 -75.83 123.69 18.68 81.26 0.07 18.56 0.44 0.05 0.02 0.03 0.00 79.95 0.94 13 L C C 56.32 10.23 21.73 32.79 99.59 177.24 -97.66 -26.68 91.13 8.47 0.40 62.42 23.93 4.58 0.05 0.47 0.00 7.89 0.67 14 S C S 43.99 6.06 22.35 29.17 141.85 7.18 -155.10 159.34 97.06 2.41 0.53 6.61 81.20 9.58 0.05 0.44 0.00 1.48 0.63 15 G C S 36.27 4.60 18.80 24.60 127.49 32.32 93.32 -162.99 96.20 1.34 2.46 5.58 83.28 7.72 0.29 1.66 0.00 0.50 0.97 16 K C T 152.51 2.66 18.59 21.83 92.91 -43.28 -70.58 -20.75 92.07 1.12 6.81 1.53 21.17 69.16 0.27 6.68 0.00 0.58 0.60 17 D C T 29.94 16.66 12.22 29.28 95.98 53.07 -97.90 6.52 93.90 0.97 5.13 5.49 11.98 75.19 0.29 6.03 0.00 0.60 0.41 18 R C T 119.81 10.26 13.76 25.38 110.63 132.82 -61.02 131.74 97.96 0.75 1.29 1.13 2.05 95.03 0.11 0.97 0.00 0.34 0.37 19 G C T 55.37 2.45 19.35 22.01 93.90 19.63 84.20 -1.48 99.08 0.37 0.54 0.91 2.53 95.66 0.03 0.54 0.00 0.28 0.05 20 R C C 93.27 10.21 17.18 28.36 120.81 125.61 -81.32 147.57 97.56 2.35 0.09 92.06 5.01 0.47 0.01 0.09 0.00 2.18 0.18 21 I E E 88.98 9.89 20.87 31.36 123.22 -140.73 -106.20 140.77 8.92 91.06 0.02 8.59 0.49 0.03 0.01 0.01 0.00 86.03 4.85 22 G E E 8.22 16.10 20.37 36.78 143.99 145.20 -163.62 -173.62 2.64 97.36 0.00 2.22 0.25 0.01 0.00 0.00 0.00 97.47 0.05 23 K E E 88.00 7.60 25.99 34.46 119.77 -83.10 -97.20 139.96 1.22 98.78 0.00 1.07 0.05 0.00 0.00 0.00 0.00 98.86 0.02 24 I E E 8.58 24.47 14.62 39.92 109.25 -113.05 -73.99 125.73 1.18 98.81 0.00 1.13 0.03 0.00 0.00 0.00 0.00 98.80 0.03 25 A E E 44.53 8.28 22.94 32.00 100.77 175.51 -95.93 -31.64 2.87 97.12 0.00 1.89 0.70 0.02 0.00 0.00 0.00 97.37 0.01 26 S E E 44.31 6.13 25.41 32.50 142.22 -2.70 -159.51 154.24 0.78 99.22 0.00 0.53 0.09 0.01 0.00 0.00 0.00 99.37 0.00 27 I E E 38.12 21.58 13.03 33.66 124.00 -156.88 -127.17 129.70 0.67 99.33 0.00 0.57 0.03 0.00 0.00 0.00 0.00 99.37 0.02 28 N E E 56.04 6.16 18.65 26.48 108.89 -158.72 -109.73 105.75 5.09 94.89 0.01 4.81 0.18 0.01 0.01 0.01 0.00 94.56 0.42 29 R C T 124.85 9.67 12.53 23.65 93.44 -173.46 -66.02 -30.61 84.37 0.76 14.88 1.21 2.97 79.61 0.30 15.22 0.00 0.60 0.10 30 K C T 168.02 0.62 15.70 14.52 92.26 54.99 -67.58 -36.95 84.33 0.38 15.29 0.55 2.38 81.25 0.32 15.19 0.00 0.24 0.08 31 K C T 121.08 2.93 15.88 19.14 96.51 32.76 -95.66 -4.89 85.88 0.11 14.01 0.68 2.31 81.91 0.21 14.79 0.00 0.06 0.03 32 N C T 56.77 13.30 14.38 28.63 94.71 -127.77 58.53 42.31 99.75 0.08 0.17 3.38 2.16 94.27 0.02 0.10 0.00 0.06 0.01 33 K E E 54.33 11.00 22.22 34.10 134.14 130.80 -130.99 155.10 4.41 95.59 0.00 3.77 0.27 0.02 0.00 0.00 0.00 95.82 0.12 34 V E E 3.96 24.84 17.94 43.66 121.96 -149.48 -115.81 133.31 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 35 I E E 37.37 10.92 26.66 38.76 117.55 -155.99 -107.44 126.84 0.08 99.92 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 36 V E E 5.33 24.55 16.71 41.86 117.76 -167.30 -113.26 122.48 0.78 99.22 0.00 0.70 0.01 0.00 0.00 0.00 0.00 99.27 0.02 37 E E E 85.58 7.49 23.41 31.05 118.13 -148.00 -86.62 145.44 27.59 71.74 0.67 10.49 7.01 10.41 0.05 0.60 0.00 71.17 0.27 38 S C S 58.04 6.65 22.97 30.08 96.54 12.71 67.26 33.28 75.95 23.32 0.74 14.70 39.13 20.17 0.04 0.71 0.00 24.76 0.48 39 C C C 21.64 21.62 13.90 34.44 109.16 147.46 -87.03 109.90 70.01 27.03 2.96 45.81 15.51 8.44 0.35 2.90 0.00 25.83 1.18 40 N C E 65.96 10.45 20.47 31.02 108.86 82.51 -98.00 84.69 54.87 43.16 1.97 28.33 18.60 9.19 0.23 1.83 0.00 40.76 1.06 41 M E E 76.18 11.84 17.82 29.91 118.80 -138.65 -104.00 131.58 20.62 78.36 1.02 16.70 3.53 1.15 0.31 0.67 0.00 76.29 1.34 42 V E E 47.06 13.56 14.86 29.11 124.08 -170.66 -118.21 138.02 9.35 90.25 0.40 8.22 0.92 0.29 0.20 0.19 0.00 89.57 0.62 43 K E E 112.24 7.39 16.30 24.99 117.98 -145.84 -102.16 131.54 9.41 89.83 0.76 8.01 1.01 0.43 0.41 0.31 0.00 89.47 0.36 44 K E E 93.65 9.47 13.48 24.12 121.70 -162.75 -110.92 138.35 14.96 83.15 1.90 12.49 1.76 0.75 0.99 0.77 0.00 82.70 0.55 45 V E E 80.05 7.10 12.75 21.52 118.60 -146.90 -106.14 131.35 26.09 71.69 2.22 22.54 2.83 0.94 1.08 1.07 0.00 70.40 1.15 46 I C C 80.65 7.74 11.49 20.94 119.76 -159.61 -109.44 136.37 52.44 45.02 2.54 45.21 5.46 1.47 1.03 1.42 0.00 43.77 1.64 47 K C C 135.85 3.19 12.74 17.45 114.08 -124.39 -84.89 135.32 80.80 16.66 2.54 69.05 8.56 2.40 0.95 1.43 0.00 16.39 1.21 48 A C C 59.55 7.34 8.44 17.21 112.11 -115.09 -74.68 142.45 86.70 7.26 6.03 58.80 17.68 10.43 1.78 4.12 0.00 5.92 1.27 49 R C C 175.17 1.75 10.26 13.12 106.82 -158.07 -92.78 47.90 90.15 4.07 5.78 46.06 30.57 13.96 1.68 3.85 0.00 2.11 1.76 50 T C S 89.21 2.66 8.89 13.10 117.29 58.84 -102.40 145.60 87.32 1.57 11.11 25.67 37.00 25.19 2.90 7.57 0.00 0.72 0.95 51 P C T 111.27 1.74 9.58 12.39 99.73 -77.63 -70.76 -16.54 85.67 1.12 13.21 27.85 25.23 32.98 3.03 9.70 0.00 0.51 0.70 52 Q C C 122.50 3.11 8.92 13.53 105.74 62.51 -90.48 55.73 77.36 3.75 18.89 39.66 18.98 19.32 4.20 14.08 0.01 1.70 2.04 53 E C T 122.46 4.08 9.86 15.62 104.15 128.28 -79.87 4.80 74.10 3.13 22.77 25.35 16.19 33.58 3.70 18.14 0.01 1.79 1.23 54 K C T 147.05 2.40 12.17 15.82 107.10 47.80 -89.82 81.40 75.66 5.82 18.52 21.42 17.29 38.17 3.04 14.52 0.04 3.58 1.94 55 G C C 35.49 8.96 10.34 20.25 118.44 -156.04 -87.28 160.22 83.79 8.50 7.71 44.22 18.40 21.72 0.98 6.86 0.00 6.41 1.42 56 R C C 131.37 4.69 14.58 20.53 120.66 -140.17 -106.25 145.53 64.82 34.28 0.90 46.71 14.34 3.24 0.15 0.79 0.00 33.52 1.24 57 I E E 89.39 9.94 12.34 23.27 117.94 -129.21 -97.80 131.57 14.79 85.18 0.04 13.18 1.28 0.09 0.01 0.02 0.00 84.75 0.66 58 I E E 67.63 8.35 14.60 24.72 122.53 -166.50 -116.16 136.75 2.55 97.45 0.01 2.36 0.09 0.01 0.00 0.00 0.00 97.40 0.14 59 D E E 85.79 9.45 14.14 24.86 119.39 -153.52 -109.87 133.36 2.34 97.66 0.00 2.03 0.15 0.01 0.00 0.00 0.00 97.77 0.05 60 K E E 90.99 7.49 17.34 26.23 130.44 175.72 -135.15 148.67 3.95 96.04 0.01 3.62 0.21 0.02 0.00 0.00 0.00 96.03 0.11 61 E E E 101.47 10.19 16.53 27.45 116.08 -118.18 -84.87 136.05 11.41 88.57 0.02 10.29 0.83 0.06 0.00 0.01 0.00 88.51 0.29 62 A E E 22.26 14.47 17.53 32.77 134.35 167.19 -137.55 156.07 23.70 76.29 0.01 21.21 1.55 0.05 0.00 0.01 0.00 76.97 0.21 63 A E E 51.53 9.85 22.76 32.58 114.84 -103.86 -72.45 142.47 16.88 83.11 0.01 15.48 0.87 0.04 0.00 0.01 0.00 83.01 0.59 64 I E E 9.48 24.17 15.66 39.99 127.06 -165.85 -122.47 141.24 11.38 88.61 0.00 11.19 0.34 0.01 0.00 0.00 0.00 85.80 2.65 65 D E E 48.80 8.93 25.49 35.07 110.27 -123.10 -82.71 127.76 25.27 74.72 0.01 26.82 0.23 0.01 0.00 0.01 0.00 70.91 2.02 66 I H G 21.63 22.89 16.22 38.92 92.05 -135.99 -61.91 -28.68 7.13 0.21 92.66 0.82 0.71 4.12 0.47 93.69 0.00 0.19 0.01 67 S H G 58.42 9.08 22.49 32.34 90.02 66.50 -70.20 -15.63 6.37 0.11 93.52 0.20 0.40 4.70 0.30 94.31 0.00 0.08 0.00 68 N H G 55.24 11.91 21.93 34.71 96.83 54.01 -100.35 4.62 7.62 0.17 92.21 0.73 0.83 4.53 0.30 93.48 0.00 0.13 0.00 69 V E E 4.40 25.64 16.04 42.40 119.38 98.29 -94.36 136.61 40.80 58.59 0.60 35.29 5.04 0.59 0.14 0.49 0.00 57.31 1.13 70 M E E 43.60 12.99 25.86 38.95 125.34 -164.77 -118.02 141.03 14.29 85.68 0.02 13.69 0.38 0.03 0.01 0.01 0.00 85.70 0.18 71 I E E 13.84 21.92 19.04 40.97 118.27 -141.22 -102.92 132.13 0.81 99.19 0.01 0.83 0.03 0.00 0.00 0.00 0.00 99.10 0.03 72 F E E 52.07 12.18 19.96 33.27 117.48 -154.62 -108.54 126.79 0.49 99.50 0.01 0.45 0.03 0.00 0.00 0.00 0.00 99.49 0.03 73 V E E 34.14 15.34 12.57 28.33 119.27 -177.68 -127.13 119.37 6.33 93.62 0.05 5.06 0.65 0.15 0.01 0.02 0.00 93.93 0.17 74 K C T 158.42 2.35 14.71 17.94 93.31 -17.56 53.43 42.99 99.12 0.72 0.16 11.69 5.76 81.56 0.02 0.14 0.00 0.80 0.04 75 G C T 61.80 1.56 14.12 15.97 95.41 -51.49 80.15 1.51 99.65 0.23 0.12 6.85 6.90 85.87 0.01 0.11 0.00 0.23 0.02 76 T E E 79.48 3.78 15.61 21.12 124.28 102.93 -112.98 139.55 9.88 90.10 0.02 7.22 2.17 0.17 0.00 0.01 0.00 90.17 0.25 77 S E E 52.40 11.16 15.29 27.12 114.51 -113.55 -74.20 138.23 3.89 96.11 0.01 3.33 0.21 0.01 0.00 0.00 0.00 96.39 0.05 78 S E E 16.12 16.20 17.25 34.02 134.42 177.56 -135.37 158.18 4.29 95.70 0.01 3.95 0.16 0.01 0.00 0.00 0.00 95.82 0.05 79 R E E 82.36 11.70 23.33 35.09 117.68 -119.56 -97.81 135.19 3.07 96.92 0.01 2.71 0.19 0.01 0.00 0.00 0.00 96.99 0.09 80 L E E 16.93 21.83 18.15 39.59 118.83 -145.56 -101.66 133.78 8.39 91.60 0.01 7.74 0.24 0.02 0.00 0.00 0.00 91.91 0.09 81 G E E 9.31 13.46 22.62 36.69 138.76 163.15 -144.22 173.95 3.37 96.63 0.00 2.99 0.15 0.01 0.00 0.00 0.00 96.81 0.05 82 I E E 50.54 15.99 17.16 33.01 126.60 -120.48 -122.47 140.87 2.02 97.98 0.00 1.76 0.10 0.00 0.00 0.00 0.00 98.07 0.06 83 R E E 96.38 8.00 17.83 26.92 130.33 -169.30 -130.74 149.76 1.46 98.54 0.00 1.20 0.10 0.01 0.00 0.00 0.00 98.65 0.04 84 F E E 107.83 8.32 12.09 21.93 115.85 -130.88 -99.20 128.00 5.85 94.13 0.02 4.87 0.53 0.06 0.00 0.01 0.00 94.44 0.10 85 E E E 92.44 6.02 9.67 17.75 120.36 172.35 -132.37 121.85 12.82 87.02 0.16 8.00 3.06 1.36 0.02 0.16 0.00 86.99 0.42 86 N C T 146.14 0.43 11.55 10.65 94.32 -18.02 52.64 37.07 99.56 0.24 0.20 1.24 8.08 90.20 0.00 0.25 0.00 0.19 0.03 87 N C T 142.03 0.82 10.72 11.68 94.15 -46.87 70.47 9.06 99.71 0.12 0.17 1.31 8.69 89.68 0.00 0.22 0.00 0.09 0.01 88 E E E 107.76 3.29 12.05 17.29 125.54 104.59 -114.68 145.32 9.41 90.58 0.01 6.57 2.47 0.15 0.00 0.01 0.00 90.54 0.25 89 K E E 102.71 8.15 12.95 22.65 114.70 -121.60 -84.70 130.61 2.00 98.00 0.00 1.78 0.06 0.00 0.00 0.00 0.00 98.12 0.04 90 I E E 30.43 12.61 15.64 30.14 127.98 -173.55 -125.93 145.61 1.61 98.39 0.00 1.49 0.03 0.00 0.00 0.00 0.00 98.47 0.02 91 R E E 61.72 12.97 18.79 32.70 116.25 -133.01 -98.12 130.56 1.17 98.83 0.00 1.02 0.03 0.00 0.00 0.00 0.00 98.93 0.02 92 Y E E 37.86 13.07 19.01 33.53 130.27 -173.95 -128.25 147.81 0.41 99.58 0.00 0.36 0.02 0.00 0.00 0.00 0.00 99.43 0.18 93 L E E 19.13 15.14 14.57 31.59 110.37 -113.16 -74.03 127.61 5.49 94.49 0.02 5.15 0.18 0.02 0.01 0.01 0.00 93.96 0.67 94 K C T 100.39 9.44 15.83 26.32 94.07 -145.83 -66.09 -31.96 98.78 0.85 0.37 1.03 3.14 94.79 0.02 0.31 0.00 0.63 0.08 95 K C T 142.18 2.70 16.23 19.56 96.50 46.21 -76.32 -38.30 99.35 0.24 0.41 0.12 1.46 97.97 0.01 0.28 0.00 0.10 0.07 96 N C T 88.98 3.56 14.68 19.14 101.59 22.02 -105.15 -13.37 99.58 0.11 0.31 0.30 2.05 97.32 0.01 0.23 0.00 0.06 0.03 97 G C C 38.96 8.04 12.29 21.84 95.02 -120.95 79.92 7.55 99.38 0.45 0.17 78.97 8.09 12.32 0.04 0.13 0.00 0.31 0.15 98 Q C C 93.55 4.07 15.32 21.15 117.55 145.22 -74.76 143.16 91.36 8.59 0.05 86.87 4.70 0.23 0.01 0.04 0.00 7.15 0.99 99 R E E 132.63 7.36 15.78 24.58 114.04 -116.33 -79.46 132.96 4.97 94.99 0.04 4.65 0.25 0.01 0.06 0.01 0.00 50.40 44.62 100 I C C 34.67 18.80 13.69 31.71 111.45 -156.43 -95.30 123.07 95.22 4.78 0.00 95.14 0.08 0.01 0.00 0.00 0.00 4.74 0.02