# 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 Q C C 113.16 5.69 15.76 22.87 119.27 -167.14 -102.39 135.24 99.57 0.42 0.01 99.57 0.07 0.02 0.00 0.00 0.00 0.32 0.01 1 S C C 62.18 8.41 13.25 22.84 120.19 -153.51 -103.83 140.55 69.96 29.70 0.33 66.81 1.17 0.70 0.08 0.17 0.00 29.86 1.21 2 V E E 69.30 10.47 13.69 25.10 118.31 -158.50 -107.84 128.92 36.88 62.80 0.32 30.84 5.06 0.73 0.10 0.25 0.00 61.07 1.95 3 L E E 70.14 11.56 14.86 27.22 118.06 -155.07 -101.26 132.12 24.41 75.39 0.20 21.68 2.13 0.30 0.08 0.13 0.00 72.56 3.11 4 T E E 62.52 11.07 16.89 28.53 123.25 -166.13 -116.26 136.13 36.88 62.99 0.13 31.83 3.85 0.33 0.04 0.11 0.00 60.02 3.81 5 Q C C 87.92 10.62 16.49 27.82 121.35 -151.01 -112.21 134.88 74.30 25.67 0.03 62.74 11.08 0.17 0.01 0.03 0.00 24.68 1.29 6 P C C 56.78 11.61 16.10 28.27 116.98 -101.72 -68.29 153.54 96.70 3.29 0.02 87.28 9.09 0.21 0.00 0.02 0.00 3.22 0.18 7 P C C 63.27 11.44 16.62 28.36 107.19 -102.78 -68.56 148.33 95.34 4.60 0.05 75.72 18.44 0.83 0.01 0.07 0.00 4.69 0.25 8 S E E 62.22 9.07 19.01 28.80 128.51 -115.77 -121.57 146.87 33.93 66.01 0.06 27.59 5.58 0.39 0.01 0.07 0.00 65.70 0.66 9 V E E 29.85 18.68 15.42 33.91 130.28 -173.17 -134.10 143.37 2.78 97.21 0.01 2.63 0.16 0.01 0.00 0.00 0.00 96.98 0.23 10 S E E 59.41 8.08 23.19 32.30 129.31 -160.79 -122.85 146.60 1.77 98.23 0.00 1.62 0.09 0.00 0.00 0.00 0.00 98.20 0.08 11 G E E 9.91 17.88 16.92 34.81 142.90 152.73 -155.74 171.74 11.93 88.06 0.01 10.59 1.00 0.04 0.00 0.01 0.00 87.54 0.84 12 A C C 46.69 6.71 23.55 30.47 125.00 -96.57 -98.76 153.53 92.29 7.69 0.02 90.69 1.85 0.09 0.00 0.01 0.00 6.84 0.52 13 P C T 61.47 13.49 14.74 28.47 110.16 -84.20 -59.17 137.49 98.84 0.87 0.29 0.53 2.79 95.85 0.01 0.21 0.00 0.46 0.15 14 G C T 48.35 3.77 19.59 24.22 94.58 21.91 86.30 -6.20 99.51 0.29 0.20 0.56 3.23 95.84 0.01 0.15 0.00 0.19 0.02 15 Q C C 78.30 8.43 17.58 27.11 124.43 119.56 -90.50 153.32 94.51 5.37 0.12 73.84 20.63 0.32 0.02 0.12 0.00 4.54 0.54 16 R E E 134.86 7.32 19.14 27.89 119.16 -127.49 -96.31 137.45 47.12 52.87 0.01 47.35 0.53 0.02 0.00 0.01 0.00 51.21 0.88 17 V E E 12.92 22.32 14.29 36.63 128.37 -171.54 -127.00 142.49 0.83 99.17 0.00 0.86 0.01 0.00 0.00 0.00 0.00 99.09 0.05 18 T E E 67.67 7.33 25.01 32.97 117.78 -148.34 -106.63 129.13 0.32 99.68 0.00 0.32 0.00 0.00 0.00 0.00 0.00 99.67 0.01 19 I E E 5.74 25.83 15.96 42.60 119.33 -165.87 -113.04 127.66 2.54 97.46 0.00 2.44 0.05 0.00 0.00 0.00 0.00 97.44 0.06 20 S E E 46.25 7.97 26.74 35.34 122.46 -164.71 -109.56 142.26 23.35 76.64 0.01 21.90 0.58 0.03 0.00 0.01 0.00 77.34 0.14 21 C E E 8.28 25.22 15.63 40.86 130.09 -168.67 -133.05 144.55 30.93 69.03 0.04 28.97 1.09 0.10 0.01 0.03 0.00 69.14 0.66 22 T E E 63.06 7.41 25.98 33.93 124.96 -168.25 -120.62 144.31 21.35 78.55 0.10 18.85 1.79 0.21 0.05 0.06 0.00 74.04 4.99 23 G E E 19.94 17.36 16.98 33.39 137.02 100.43 -99.56 160.87 39.83 59.87 0.31 31.60 7.86 0.89 0.11 0.27 0.00 55.03 4.25 24 S C C 51.68 7.68 21.16 29.26 127.13 -107.04 -115.23 153.32 70.33 28.54 1.12 57.15 10.50 2.07 0.30 0.92 0.00 26.29 2.76 25 S C C 61.97 11.37 14.96 26.76 95.79 -129.33 -78.37 -10.00 67.16 7.34 25.50 36.60 15.67 16.33 4.74 20.01 0.02 4.76 1.89 26 S C T 77.66 3.51 19.30 23.18 96.45 83.47 -76.01 -15.22 67.41 3.77 28.82 18.99 19.89 30.57 5.04 21.81 0.05 2.10 1.56 27 N C C 77.33 10.18 17.98 28.35 102.97 46.21 -97.61 13.79 67.34 5.31 27.35 27.55 17.11 24.80 5.31 20.23 0.04 2.95 2.01 28 I C C 28.83 21.97 13.81 34.41 109.16 108.05 -86.47 82.48 73.43 10.99 15.58 33.18 20.86 20.79 6.45 7.98 0.13 5.38 5.23 29 G C C 27.36 11.05 20.22 31.09 118.84 -124.39 86.81 -10.40 85.35 5.84 8.82 46.34 16.46 23.04 2.66 5.68 0.01 3.09 2.72 30 A C T 67.78 6.92 18.19 25.90 109.30 -53.14 -69.45 131.59 91.38 3.49 5.13 6.35 14.48 70.50 1.29 3.64 0.01 2.30 1.43 31 G C T 45.61 5.62 20.54 26.43 97.57 18.93 84.28 -1.35 94.11 3.88 2.01 11.45 13.79 68.70 0.26 1.79 0.00 3.56 0.44 32 Y C C 36.20 19.76 14.64 34.01 123.12 121.85 -100.93 146.23 70.13 29.59 0.28 60.61 7.70 0.69 0.07 0.23 0.00 29.24 1.45 33 D E E 52.34 10.20 25.84 36.42 116.81 -141.52 -101.43 131.08 20.34 79.60 0.06 18.56 1.24 0.16 0.01 0.04 0.00 79.05 0.94 34 V E E 3.40 26.62 18.57 45.97 122.67 -162.94 -114.61 134.07 4.89 95.10 0.01 4.55 0.22 0.01 0.00 0.00 0.00 95.12 0.09 35 Y E E 42.21 14.72 27.70 42.49 128.84 -172.62 -125.38 144.62 0.56 99.44 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.43 0.01 36 W E E 8.79 24.68 21.94 46.65 123.58 -154.41 -112.54 137.98 0.37 99.63 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.64 0.00 37 Y E E 26.02 16.83 24.43 41.20 132.90 -174.41 -131.57 151.96 0.46 99.54 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.56 0.01 38 Q E E 34.46 16.35 21.32 37.65 123.61 -151.34 -115.76 137.64 2.51 97.48 0.00 2.13 0.14 0.01 0.00 0.00 0.00 97.64 0.07 39 Q E E 56.30 13.06 17.67 31.33 117.38 -145.26 -103.84 127.79 28.14 71.84 0.02 25.99 1.33 0.06 0.01 0.02 0.00 71.64 0.95 40 L C C 56.09 9.68 14.18 25.52 117.53 -141.43 -89.55 144.30 91.64 8.31 0.05 88.78 2.90 0.32 0.01 0.04 0.00 7.04 0.90 41 P C T 99.91 4.46 12.36 18.69 109.38 -86.04 -58.34 135.00 99.49 0.17 0.34 0.50 4.20 94.81 0.01 0.33 0.00 0.11 0.03 42 G C T 68.53 0.35 13.48 11.30 95.52 18.11 83.48 -2.61 99.60 0.09 0.31 0.54 4.12 94.93 0.01 0.33 0.00 0.06 0.01 43 T C S 66.14 6.01 10.46 18.44 130.32 91.65 -116.93 160.06 91.07 8.51 0.42 31.17 56.19 3.72 0.09 0.34 0.00 3.07 5.43 44 A C C 72.53 2.76 17.78 20.60 116.24 -97.93 -71.77 149.79 95.45 4.53 0.03 79.84 15.74 0.18 0.00 0.03 0.00 3.75 0.46 45 P C C 41.37 18.68 11.33 29.22 115.46 -100.40 -65.98 144.79 92.14 7.84 0.02 90.73 1.45 0.07 0.00 0.01 0.00 7.50 0.23 46 K E E 98.35 7.28 21.75 29.81 123.40 -154.89 -120.03 136.86 8.59 91.39 0.02 7.59 0.78 0.05 0.01 0.01 0.00 90.92 0.64 47 L E E 62.88 16.09 17.92 33.52 110.74 -116.56 -74.30 126.71 0.77 99.22 0.00 0.72 0.02 0.00 0.00 0.00 0.00 99.22 0.03 48 L E E 25.72 17.67 21.23 38.86 101.29 176.09 -96.76 -35.06 1.97 98.02 0.01 1.45 0.40 0.02 0.00 0.00 0.00 98.11 0.01 49 I E E 15.33 20.42 21.33 41.62 135.64 6.16 -146.97 142.10 0.56 99.44 0.00 0.48 0.04 0.00 0.00 0.00 0.00 99.43 0.04 50 Y E E 67.03 17.13 21.55 37.48 129.28 -173.80 -133.94 139.30 5.64 94.31 0.05 4.95 0.40 0.06 0.02 0.02 0.00 94.23 0.31 51 G C E 18.42 16.14 20.35 35.48 118.70 79.49 -115.59 22.82 58.51 40.93 0.55 35.90 19.36 3.74 0.08 0.50 0.00 39.59 0.82 52 N C C 61.52 11.76 18.75 30.56 119.10 93.94 -110.68 145.06 78.68 19.71 1.61 36.96 32.23 10.81 0.24 1.50 0.01 15.71 2.54 53 S C S 63.55 9.55 17.39 27.14 102.12 -106.04 -87.79 -3.86 92.04 6.29 1.67 18.04 47.64 26.72 0.17 1.68 0.00 4.43 1.32 54 N C S 101.99 5.09 19.16 25.03 104.83 54.42 -95.07 40.40 93.65 5.22 1.13 27.19 46.48 20.05 0.12 1.25 0.00 3.15 1.76 55 R C C 94.03 13.87 13.93 27.55 119.69 104.88 -101.06 135.49 92.90 6.89 0.21 61.98 30.75 0.77 0.06 0.16 0.00 3.16 3.12 56 P C C 48.88 11.72 13.39 26.11 114.75 -107.59 -66.86 151.32 95.65 3.50 0.85 89.64 2.99 2.91 0.16 0.75 0.00 1.76 1.79 57 S C T 90.50 2.32 15.46 18.98 109.45 -93.54 -63.52 137.67 97.52 1.37 1.12 5.38 8.92 82.97 0.10 1.21 0.00 0.93 0.49 58 G C T 58.97 1.98 17.35 19.26 96.26 23.72 83.34 -1.99 97.91 1.11 0.98 6.04 10.12 81.45 0.07 1.19 0.00 0.92 0.21 59 V C C 26.30 19.92 9.09 27.88 115.65 117.25 -90.08 132.00 95.12 4.57 0.31 61.11 33.38 0.69 0.10 0.20 0.00 1.65 2.88 60 P C C 59.73 7.36 17.20 25.82 112.80 -108.36 -66.30 149.15 92.23 3.56 4.21 74.50 7.99 8.77 0.61 4.27 0.00 2.10 1.75 61 D C T 106.30 5.37 17.51 24.22 95.00 -108.46 -64.18 -17.25 82.96 3.25 13.79 28.06 26.00 28.86 1.01 13.21 0.00 1.96 0.89 62 R C S 96.81 11.56 18.82 30.33 93.61 67.22 -77.41 -8.58 77.67 8.32 14.02 20.81 34.60 23.29 1.02 12.56 0.01 6.75 0.96 63 F E E 19.99 22.96 14.79 37.18 109.16 65.68 -108.28 72.13 22.64 69.13 8.23 16.22 5.56 3.74 2.14 5.31 0.03 64.03 2.97 64 S E E 44.97 10.31 23.33 34.13 133.43 133.62 -128.09 152.91 14.90 84.65 0.46 12.71 2.00 0.48 0.21 0.26 0.00 82.27 2.07 65 G E E 19.50 19.33 16.34 34.37 141.43 170.42 -150.47 161.79 17.41 82.45 0.14 14.73 2.32 0.37 0.04 0.09 0.00 82.00 0.45 66 S E E 56.44 6.44 23.56 31.18 135.80 -155.00 -143.10 154.40 14.09 85.79 0.12 12.02 1.70 0.29 0.03 0.09 0.00 85.29 0.58 67 K E E 90.68 16.61 14.08 29.81 127.29 -152.91 -127.27 139.38 18.19 81.60 0.21 14.92 3.05 0.58 0.05 0.17 0.00 79.62 1.60 68 S E E 68.75 4.17 19.70 24.65 117.17 -172.92 -128.42 114.99 47.32 52.40 0.27 38.92 6.51 1.67 0.07 0.27 0.00 50.50 2.06 69 G C T 46.20 3.91 19.17 23.93 110.23 -51.76 62.19 -128.07 99.08 0.60 0.32 1.79 45.83 51.58 0.01 0.30 0.00 0.42 0.07 70 T C T 55.70 14.06 15.82 30.18 96.74 -14.75 -97.22 2.16 98.93 0.80 0.27 1.65 47.39 50.05 0.01 0.24 0.00 0.59 0.07 71 S E E 33.29 11.30 22.15 34.59 127.92 82.33 -114.16 146.36 29.94 69.99 0.06 21.89 8.22 0.57 0.01 0.07 0.00 67.02 2.22 72 A E E 2.94 25.19 17.62 43.52 129.58 -171.05 -132.55 143.72 9.48 90.52 0.01 8.91 0.32 0.02 0.00 0.00 0.00 90.33 0.42 73 S E E 24.73 12.31 27.86 41.05 127.83 -162.98 -124.25 141.61 5.65 94.35 0.00 4.75 0.43 0.01 0.00 0.00 0.00 94.75 0.06 74 L E E 2.20 26.94 20.42 48.15 122.59 -164.53 -119.50 131.58 0.84 99.16 0.00 0.77 0.02 0.00 0.00 0.00 0.00 99.20 0.01 75 A E E 25.53 11.69 27.69 40.26 120.79 -162.95 -113.48 131.23 0.26 99.74 0.00 0.28 0.00 0.00 0.00 0.00 0.00 99.71 0.01 76 I E E 5.10 25.27 18.07 44.02 117.96 -165.64 -115.01 124.59 1.15 98.85 0.00 1.25 0.01 0.00 0.00 0.00 0.00 98.37 0.37 77 T C C 58.42 8.27 23.88 32.44 129.23 -175.47 -124.98 147.24 68.67 31.28 0.05 41.44 21.04 4.46 0.00 0.06 0.00 32.59 0.40 78 G C S 43.62 3.77 24.16 28.56 94.16 17.17 69.88 26.93 97.97 2.01 0.02 5.12 85.45 7.08 0.00 0.02 0.00 2.25 0.07 79 L C C 14.45 24.37 10.32 34.14 115.53 -164.49 -73.50 138.41 98.17 1.82 0.01 97.64 0.87 0.03 0.00 0.00 0.00 1.07 0.39 80 Q C C 85.27 4.57 24.21 28.64 129.81 -167.50 -119.28 157.57 96.48 3.45 0.07 96.92 0.23 0.01 0.02 0.01 0.00 0.75 2.05 81 A H G 53.86 13.04 15.08 28.26 91.33 -104.74 -58.61 -34.02 2.80 0.02 97.18 0.20 0.19 1.76 0.82 97.01 0.00 0.01 0.00 82 E H G 130.13 3.00 21.37 24.82 89.92 62.37 -70.09 -16.81 2.22 0.02 97.76 0.12 0.14 1.50 0.79 97.44 0.00 0.02 0.00 83 D H G 16.65 20.49 15.08 35.80 92.87 64.67 -83.33 -3.13 3.27 0.02 96.70 0.51 0.33 1.41 1.02 96.71 0.00 0.02 0.00 84 E C C 72.38 14.64 19.60 34.02 113.61 112.65 -73.39 133.22 96.83 1.88 1.30 91.82 4.29 0.87 0.30 0.91 0.00 1.55 0.25 85 A E E 24.75 13.84 22.01 35.80 142.38 127.34 -164.78 175.08 43.85 56.00 0.15 39.83 3.57 0.28 0.04 0.13 0.00 53.05 3.11 86 D E E 60.95 10.27 24.60 35.04 115.93 -89.88 -90.27 133.39 7.65 92.28 0.07 6.58 1.12 0.12 0.02 0.04 0.00 91.63 0.49 87 Y E E 10.23 24.96 17.64 42.64 125.85 -169.21 -119.78 141.11 2.81 97.16 0.03 2.57 0.28 0.04 0.01 0.02 0.00 96.90 0.19 88 Y E E 41.55 15.05 27.42 42.53 129.15 -171.08 -126.61 144.84 4.07 95.89 0.04 3.51 0.40 0.06 0.01 0.02 0.00 95.88 0.13 89 C E E 3.17 25.90 21.32 47.43 125.55 -159.18 -119.90 140.33 6.26 93.66 0.08 5.29 0.68 0.12 0.01 0.06 0.00 93.72 0.12 90 Q E E 31.21 15.95 26.88 42.56 132.04 -175.35 -131.41 148.87 3.04 96.89 0.07 2.61 0.27 0.06 0.01 0.03 0.00 96.93 0.09 91 S E E 11.37 21.51 20.77 41.73 127.43 -159.79 -120.93 144.62 4.03 95.92 0.05 3.59 0.27 0.05 0.01 0.02 0.00 95.86 0.19 92 F E E 53.72 13.33 20.95 34.72 127.75 -165.07 -124.94 143.49 14.51 85.35 0.14 12.61 1.70 0.28 0.04 0.10 0.00 84.41 0.86 93 D C C 38.94 12.10 15.80 29.21 113.17 -140.45 -100.60 124.13 55.65 43.88 0.47 46.77 6.52 1.18 0.09 0.39 0.00 44.11 0.94 94 S C T 68.35 6.90 14.65 23.03 94.96 -149.64 -73.29 -13.86 80.18 4.61 15.21 16.76 23.86 40.48 1.67 12.88 0.01 3.36 0.98 95 S C T 79.34 2.45 15.11 17.97 96.48 61.28 -81.05 -16.60 80.60 2.04 17.36 11.88 24.71 44.53 2.11 14.70 0.01 1.24 0.82 96 L C S 76.16 9.12 9.98 20.00 106.77 57.26 -98.46 61.66 74.30 7.24 18.46 22.32 27.11 26.62 2.44 14.91 0.03 4.32 2.24 97 R C T 164.33 3.06 13.20 17.56 101.78 -143.67 -72.17 12.21 84.55 6.74 8.71 18.78 24.52 42.02 1.47 6.81 0.02 4.83 1.55 98 D C T 107.32 3.38 14.99 19.43 99.51 30.82 -85.71 17.43 83.37 10.71 5.92 19.30 29.78 35.28 0.66 5.01 0.01 8.65 1.30 99 S C C 44.92 10.52 14.59 26.03 116.85 105.27 -102.01 136.86 71.93 25.85 2.22 51.68 12.95 6.07 0.28 2.14 0.00 25.91 0.95 100 W E E 85.01 14.60 16.99 31.55 122.72 -158.88 -110.43 136.21 24.19 75.50 0.30 21.11 2.35 0.54 0.11 0.19 0.00 74.71 1.00 101 V E E 39.77 15.41 20.11 35.64 120.84 -159.91 -113.29 129.66 5.53 94.36 0.11 4.93 0.47 0.10 0.06 0.04 0.00 93.31 1.08 102 F E E 53.25 17.62 20.23 36.96 118.85 -150.64 -98.92 136.66 14.87 84.87 0.26 12.09 2.23 0.70 0.10 0.16 0.00 83.74 0.98 103 G C C 19.37 16.97 20.10 35.69 120.02 -152.67 -90.78 -151.15 64.39 34.86 0.75 35.15 20.28 9.23 0.09 0.71 0.00 33.57 0.96 104 G C S 36.83 10.80 22.55 32.60 105.51 -49.32 -80.14 -1.47 76.95 22.06 0.99 21.07 40.19 15.83 0.09 0.95 0.00 20.68 1.20 105 G C C 20.30 14.85 20.25 34.32 122.11 -107.45 99.87 -172.32 72.99 26.36 0.65 34.06 30.77 8.22 0.06 0.69 0.00 25.28 0.91 106 T E E 22.10 20.59 18.19 37.97 122.68 -85.06 -107.23 138.53 36.13 63.64 0.24 30.94 3.69 0.66 0.05 0.19 0.00 63.43 1.03 107 K E E 96.15 9.29 24.88 34.39 120.54 -151.65 -109.02 132.84 9.41 90.40 0.19 8.01 1.18 0.32 0.07 0.12 0.00 89.31 0.98 108 L E E 14.64 23.71 15.52 39.05 121.57 -163.82 -112.74 133.40 9.05 90.78 0.17 8.14 0.69 0.21 0.07 0.11 0.00 90.32 0.47 109 T E E 58.85 7.13 23.51 31.11 121.18 -163.67 -115.00 132.11 10.20 89.64 0.15 9.30 0.56 0.18 0.06 0.09 0.00 89.22 0.58 110 V E E 36.23 18.16 12.77 30.67 115.42 -148.64 -99.25 125.66 19.17 80.69 0.14 18.75 0.39 0.16 0.06 0.06 0.00 78.93 1.65 111 L C C 79.71 8.35 18.16 27.18 111.71 -158.98 -92.16 123.53 99.11 0.88 0.00 99.16 0.05 0.01 0.00 0.00 0.00 0.76 0.01