# 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 109.76 6.79 11.64 19.81 116.25 -167.35 -92.73 134.10 99.93 0.06 0.01 99.87 0.07 0.02 0.00 0.00 0.00 0.03 0.01 1 N C C 111.14 3.33 10.61 15.66 113.92 -153.29 -93.63 128.66 92.93 2.87 4.21 89.46 0.90 3.61 2.06 1.19 0.00 1.68 1.10 2 S C C 76.22 4.43 9.54 15.64 111.91 -150.90 -92.67 129.24 83.73 4.96 11.30 57.74 15.50 10.66 6.15 5.04 0.00 3.14 1.77 3 V C C 97.73 4.66 9.95 16.30 113.17 -148.96 -92.07 130.10 76.67 6.49 16.84 51.97 16.27 8.46 10.26 6.75 0.01 4.28 2.00 4 Q C C 114.18 4.78 11.56 17.92 113.64 -141.54 -90.21 133.15 75.59 5.51 18.90 57.40 11.58 6.38 12.25 7.00 0.00 3.78 1.60 5 A C C 60.85 7.56 10.60 19.39 111.95 -124.90 -81.62 139.75 75.25 5.26 19.49 61.16 7.74 6.31 12.06 7.51 0.00 3.69 1.53 6 E C C 121.90 5.29 12.53 19.25 108.28 -138.02 -84.48 115.88 74.50 4.88 20.62 52.15 11.27 11.12 11.09 9.53 0.01 3.35 1.48 7 N C C 106.38 4.84 13.49 19.62 103.89 39.50 -84.37 16.53 77.94 5.36 16.69 42.86 19.26 17.07 6.68 9.01 0.02 3.82 1.29 8 D C C 82.47 7.30 14.27 22.64 108.47 91.22 -96.01 91.00 77.47 12.68 9.85 46.87 18.70 12.64 2.92 6.32 0.01 11.05 1.49 9 T C C 58.50 12.45 13.88 26.65 122.18 151.93 -108.32 138.95 63.62 34.14 2.23 46.85 12.99 3.50 0.64 1.53 0.00 32.92 1.56 10 R E E 74.75 12.92 17.53 30.90 121.38 -154.61 -109.21 134.80 34.25 65.30 0.45 28.43 4.96 0.79 0.13 0.33 0.00 64.04 1.32 11 C E E 55.57 13.01 18.84 31.84 126.81 -164.23 -119.16 140.66 18.76 81.15 0.09 16.25 1.84 0.18 0.02 0.06 0.00 81.20 0.45 12 Y E E 34.45 17.61 17.79 35.55 132.67 -167.07 -135.50 150.74 6.28 93.70 0.02 5.68 0.34 0.03 0.00 0.01 0.00 93.72 0.21 13 E E E 85.79 10.76 23.18 34.10 121.08 -142.49 -112.16 130.55 1.70 98.29 0.00 1.60 0.06 0.00 0.00 0.00 0.00 98.25 0.09 14 L E E 10.59 23.36 17.02 40.49 118.53 -162.61 -110.62 127.10 3.36 96.64 0.00 3.24 0.10 0.01 0.00 0.00 0.00 96.38 0.27 15 N E E 62.20 8.09 25.28 33.97 107.95 -139.50 -89.62 111.55 20.50 79.44 0.06 19.46 0.95 0.09 0.02 0.04 0.00 78.69 0.77 16 C C C 8.43 23.92 15.01 39.39 96.20 -173.06 -86.22 -3.06 66.95 10.15 22.89 36.13 12.55 19.46 5.29 16.83 0.04 8.43 1.27 17 S C T 50.93 9.78 20.27 30.63 93.05 87.83 -71.96 -18.70 67.02 4.83 28.15 13.52 25.07 29.93 8.80 17.88 0.12 3.06 1.63 18 V C S 70.11 7.07 20.18 27.88 105.90 57.49 -93.90 27.04 61.40 6.33 32.27 17.56 29.28 16.62 13.07 17.21 0.18 3.81 2.27 19 L C C 51.22 14.64 15.75 30.26 102.93 55.28 -73.24 40.57 63.42 15.28 21.29 48.85 8.36 5.49 14.51 7.38 0.05 9.91 5.45 20 V C C 36.21 16.17 12.59 28.36 113.28 55.60 -91.82 135.38 48.25 36.05 15.71 36.51 6.29 4.12 11.77 4.43 0.22 22.75 13.92 21 K C E 142.64 3.47 15.99 20.41 99.05 -113.60 -73.10 -20.55 39.97 38.93 21.10 11.35 11.82 20.43 12.45 7.46 1.71 24.74 10.03 22 D C T 98.13 4.23 15.05 20.48 96.38 32.16 -88.80 13.85 85.11 2.49 12.40 5.33 12.66 66.83 5.79 6.67 0.05 1.56 1.11 23 S C T 76.10 6.23 15.49 23.09 95.36 -103.60 72.03 17.40 93.68 2.10 4.22 8.28 23.78 62.00 1.07 2.84 0.00 1.42 0.61 24 L C S 54.17 12.59 16.84 29.91 98.19 119.57 -84.05 -33.09 71.27 27.05 1.68 18.02 45.54 9.08 0.72 0.97 0.04 18.79 6.84 25 L C S 15.49 19.88 13.80 33.77 130.62 14.04 -135.88 146.49 60.84 37.91 1.25 29.01 31.14 2.73 0.73 0.66 0.03 24.04 11.65 26 S C C 43.18 5.48 23.64 29.11 122.74 -133.01 -88.21 160.96 82.93 15.98 1.10 80.12 2.57 0.52 0.94 0.27 0.00 11.30 4.29 27 T H H 38.63 18.04 14.09 31.71 91.83 -109.97 -59.66 -36.76 8.91 0.12 90.96 2.25 1.43 5.55 86.32 4.30 0.03 0.07 0.05 28 E H H 131.75 2.00 21.27 22.79 91.56 54.23 -64.55 -39.22 5.61 0.05 94.34 0.60 0.53 4.38 88.96 5.47 0.03 0.03 0.02 29 D H H 67.57 6.88 20.34 27.66 93.06 46.17 -71.21 -34.00 4.63 0.06 95.31 0.92 0.50 3.03 88.39 7.08 0.02 0.04 0.02 30 L H H 5.53 24.36 14.32 38.77 91.84 56.03 -63.24 -43.42 1.62 0.02 98.36 0.51 0.19 0.83 97.37 1.07 0.00 0.01 0.00 31 N H H 55.43 12.92 19.33 32.23 91.57 52.73 -62.57 -41.64 1.02 0.01 98.97 0.21 0.08 0.61 98.75 0.34 0.00 0.00 0.00 32 S H H 64.08 2.07 23.71 23.96 91.86 50.37 -64.52 -41.41 0.76 0.00 99.23 0.11 0.05 0.49 99.08 0.26 0.00 0.00 0.00 33 Y H H 45.17 12.11 19.64 32.71 92.00 48.85 -64.82 -43.15 0.43 0.00 99.56 0.07 0.03 0.26 99.41 0.22 0.00 0.00 0.00 34 L H H 5.74 24.21 15.14 39.49 91.71 49.09 -64.37 -42.07 0.39 0.00 99.61 0.06 0.02 0.24 99.39 0.29 0.00 0.00 0.00 35 E H H 96.35 9.82 19.09 29.19 91.76 52.62 -64.00 -37.62 1.04 0.00 98.96 0.07 0.05 0.84 98.35 0.68 0.00 0.00 0.00 36 A H H 70.35 3.01 21.33 23.91 92.14 53.68 -70.18 -28.94 7.75 0.01 92.24 0.16 0.29 7.63 91.15 0.75 0.01 0.00 0.00 37 R H H 91.39 11.59 17.89 29.59 99.47 40.79 -98.18 -9.21 28.94 0.15 70.91 1.51 2.16 24.90 70.21 1.03 0.06 0.05 0.09 38 M C C 23.34 21.84 12.36 33.40 110.15 88.92 -84.85 116.71 85.03 9.87 5.11 61.40 20.05 3.08 4.77 1.04 0.01 5.06 4.59 39 K C C 110.39 5.22 21.35 27.45 122.82 145.37 -119.32 133.52 58.79 39.32 1.88 53.96 2.73 0.95 1.40 0.60 0.00 27.10 13.26 40 V E E 34.21 17.67 10.96 28.09 117.52 -168.02 -117.87 118.83 30.39 66.55 3.06 20.32 5.60 2.53 1.96 1.36 0.04 35.15 33.04 41 N C T 124.13 2.69 14.77 18.60 93.22 -15.11 52.84 40.61 93.65 2.39 3.96 1.70 6.67 85.60 0.45 3.33 0.01 1.47 0.76 42 G C T 63.52 1.31 13.64 15.08 94.87 -49.80 79.42 3.33 97.00 0.43 2.56 1.55 9.17 86.13 0.18 2.55 0.00 0.28 0.13 43 R E E 127.34 4.22 13.21 19.39 121.91 109.81 -110.13 138.62 33.40 65.25 1.35 11.78 18.64 3.23 0.55 0.80 0.07 33.00 31.94 44 T C T 92.57 4.79 13.81 20.34 112.27 -112.65 -68.62 136.50 73.51 21.47 5.02 7.62 13.69 53.88 0.81 4.29 0.04 15.43 4.24 45 G C T 41.01 7.41 16.16 24.65 96.32 17.89 78.80 0.94 89.99 5.80 4.21 13.08 23.71 53.21 0.70 3.77 0.01 4.30 1.22 46 N C C 75.10 8.38 17.85 27.04 103.38 117.94 -86.80 38.50 81.09 13.62 5.29 50.05 20.68 10.25 1.39 4.19 0.02 7.04 6.38 47 L C C 24.52 20.53 12.90 32.64 98.06 90.28 -91.78 -1.10 79.41 15.02 5.57 58.19 11.67 8.18 1.82 3.93 0.01 7.33 8.87 48 A C C 54.87 10.93 15.97 27.33 108.80 127.00 -56.50 132.33 74.36 6.26 19.38 34.14 13.73 26.13 1.76 18.61 0.01 3.66 1.96 49 G C T 60.97 1.77 19.19 20.66 96.42 13.71 76.38 -1.13 78.67 3.48 17.85 8.96 18.61 50.21 0.99 17.93 0.01 2.29 0.99 50 N C T 71.33 10.87 17.36 28.44 99.13 63.76 -98.68 -5.24 77.63 7.08 15.29 23.25 19.06 35.12 0.66 15.45 0.00 5.68 0.78 51 I E E 10.12 24.47 10.91 35.04 125.89 63.20 -120.11 139.20 38.16 61.75 0.09 33.18 3.93 0.21 0.02 0.07 0.00 61.80 0.80 52 D E E 76.92 4.57 26.06 30.90 121.08 -162.19 -116.30 134.04 3.41 96.58 0.01 3.26 0.10 0.01 0.00 0.00 0.00 96.49 0.12 53 L E E 32.32 22.82 13.23 35.29 120.18 -157.78 -113.74 128.63 1.31 98.69 0.00 1.28 0.02 0.00 0.00 0.00 0.00 98.68 0.01 54 V E E 71.28 4.77 24.19 29.13 123.62 -174.21 -123.59 134.60 0.64 99.35 0.00 0.58 0.03 0.00 0.00 0.00 0.00 99.36 0.02 55 C E E 57.10 15.69 12.70 27.84 118.29 -149.19 -103.60 128.13 4.06 95.93 0.01 3.54 0.31 0.03 0.00 0.01 0.00 95.96 0.16 56 T C C 59.89 4.56 16.45 22.17 128.94 171.71 -125.70 169.34 69.00 30.97 0.03 66.08 1.27 0.08 0.00 0.02 0.00 32.19 0.36 57 E C S 154.54 1.79 15.49 17.81 93.23 -87.97 -60.91 -36.34 99.46 0.40 0.14 2.34 70.01 27.19 0.01 0.11 0.00 0.30 0.05 58 E C S 108.69 7.50 15.15 23.43 102.77 16.42 -108.71 -2.36 99.39 0.48 0.14 1.96 67.98 29.53 0.00 0.11 0.00 0.36 0.04 59 S E E 26.11 11.15 19.25 31.43 143.04 19.93 -159.04 163.74 33.50 66.47 0.02 25.98 6.31 0.20 0.00 0.02 0.00 67.10 0.38 60 I E E 8.51 23.09 15.69 39.67 120.47 -130.21 -115.09 131.67 1.44 98.56 0.00 1.39 0.03 0.00 0.00 0.00 0.00 98.55 0.03 61 L E E 36.09 10.01 25.84 37.15 118.40 -159.54 -109.77 127.85 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.00 62 V E E 5.38 24.70 17.03 42.46 121.48 -166.88 -115.63 130.76 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 63 K E E 87.96 7.64 26.27 34.37 118.98 -166.00 -115.97 125.40 7.69 92.31 0.00 7.39 0.12 0.00 0.00 0.00 0.00 92.43 0.06 64 P E E 15.75 22.48 12.07 34.00 117.98 -140.52 -79.72 145.80 31.43 68.54 0.04 29.58 1.17 0.08 0.01 0.02 0.00 68.63 0.51 65 R C S 146.80 3.89 21.90 26.26 95.94 -152.33 -87.02 -13.02 92.06 7.83 0.11 26.58 64.93 0.84 0.01 0.09 0.00 7.12 0.42 66 V C S 42.74 12.69 15.76 29.58 125.44 63.03 -113.99 143.78 93.84 5.99 0.17 23.35 70.42 0.85 0.03 0.14 0.00 4.51 0.71 67 R C C 148.01 4.55 22.17 27.82 112.15 -108.95 -73.67 134.34 95.41 4.47 0.12 92.68 2.87 0.29 0.02 0.09 0.00 3.30 0.75 68 L C C 11.34 24.53 10.95 35.18 123.37 -148.57 -111.14 142.04 92.52 7.28 0.20 89.77 2.75 0.15 0.10 0.08 0.00 2.58 4.57 69 S C C 42.89 5.60 22.85 28.50 120.33 -127.42 -82.71 159.57 96.65 3.17 0.18 96.51 0.77 0.07 0.11 0.02 0.00 1.04 1.47 70 K H H 104.85 11.65 15.77 27.75 91.56 -110.53 -58.79 -36.80 2.88 0.01 97.12 0.23 0.34 2.19 96.43 0.81 0.00 0.00 0.00 71 K H H 121.65 3.38 21.37 24.53 91.40 55.44 -63.59 -39.81 1.93 0.00 98.07 0.10 0.12 1.65 97.09 1.02 0.00 0.00 0.00 72 Y H H 42.02 15.75 19.07 34.82 92.06 49.14 -65.67 -41.57 0.67 0.00 99.33 0.06 0.04 0.50 98.51 0.88 0.00 0.00 0.00 73 L H H 7.48 23.70 17.52 41.03 91.43 51.12 -63.90 -42.58 0.10 0.00 99.90 0.01 0.00 0.06 99.86 0.06 0.00 0.00 0.00 74 K H H 85.13 10.52 22.72 33.09 91.68 51.76 -63.21 -41.77 0.09 0.00 99.91 0.00 0.00 0.07 99.89 0.03 0.00 0.00 0.00 75 Y H H 81.22 7.14 24.27 31.95 91.83 50.01 -64.42 -42.38 0.09 0.00 99.91 0.00 0.00 0.07 99.90 0.02 0.00 0.00 0.00 76 L H H 11.30 20.00 21.63 41.39 91.74 49.31 -64.44 -43.34 0.20 0.00 99.80 0.01 0.01 0.15 99.81 0.03 0.00 0.00 0.00 77 V H H 8.17 22.51 20.53 42.65 91.99 49.25 -64.21 -42.49 0.73 0.00 99.27 0.04 0.03 0.56 99.33 0.04 0.00 0.00 0.00 78 K H H 88.74 8.94 23.67 32.67 91.65 50.71 -63.68 -41.46 0.86 0.00 99.14 0.06 0.04 0.67 99.18 0.06 0.00 0.00 0.00 79 K H H 74.01 7.03 23.27 30.88 91.74 49.62 -64.78 -41.77 0.56 0.00 99.44 0.04 0.03 0.41 99.45 0.06 0.00 0.00 0.00 80 F H H 16.01 17.41 18.55 36.62 92.13 48.72 -64.66 -42.95 0.26 0.00 99.74 0.02 0.02 0.18 99.70 0.08 0.00 0.00 0.00 81 L H H 15.50 17.96 15.70 34.17 92.00 49.92 -64.52 -41.60 0.33 0.00 99.66 0.03 0.01 0.22 99.60 0.12 0.00 0.00 0.00 82 Y H H 137.89 3.70 18.16 22.46 93.12 47.93 -66.30 -41.23 0.78 0.00 99.22 0.04 0.03 0.64 99.11 0.18 0.00 0.00 0.00 83 K H H 120.98 4.31 16.75 22.08 92.00 49.20 -67.16 -34.26 5.25 0.01 94.75 0.09 0.14 5.23 94.30 0.24 0.00 0.00 0.00 84 K C T 75.09 10.54 13.31 25.13 96.69 40.23 -99.52 7.72 88.17 0.02 11.81 0.29 1.52 85.51 12.27 0.37 0.00 0.01 0.02 85 E C T 151.35 1.81 19.15 21.03 92.65 -122.59 57.38 39.37 99.61 0.01 0.38 1.28 1.47 97.00 0.17 0.06 0.00 0.01 0.00 86 L C C 17.88 18.95 13.02 32.54 100.59 131.60 -104.79 22.27 98.22 0.85 0.93 96.92 1.04 0.60 0.28 0.37 0.00 0.34 0.46 87 I H G 55.67 16.72 15.60 31.78 92.82 115.54 -62.64 -30.90 42.80 1.24 55.96 20.39 3.94 14.70 1.97 57.92 0.00 0.88 0.19 88 D H G 99.83 3.63 22.89 27.16 90.56 64.21 -71.18 -14.51 38.36 1.21 60.43 2.81 5.47 27.90 1.32 61.39 0.01 0.82 0.28 89 W H G 38.55 18.17 18.55 36.72 96.67 56.32 -94.56 -8.40 36.54 3.21 60.25 4.43 6.30 24.83 1.32 60.06 0.00 2.75 0.29 90 V E E 4.84 25.67 16.31 42.35 121.81 81.57 -109.39 134.43 19.59 78.71 1.70 15.43 4.44 1.12 0.38 1.17 0.00 76.51 0.93 91 R E E 76.61 11.63 26.24 37.80 129.16 -175.89 -124.81 142.78 3.93 96.04 0.04 3.36 0.32 0.05 0.01 0.02 0.00 96.16 0.08 92 I E E 37.31 19.53 19.49 38.45 115.27 -134.42 -88.48 126.97 0.71 99.28 0.01 0.65 0.02 0.00 0.00 0.00 0.00 99.28 0.04 93 L E E 41.38 13.82 20.73 34.81 104.30 -171.65 -102.75 -20.38 1.37 98.61 0.02 1.12 0.12 0.02 0.00 0.00 0.00 98.69 0.04 94 S E E 33.40 12.93 16.32 29.95 130.69 -20.52 -139.15 151.29 6.60 93.36 0.04 5.66 0.59 0.08 0.01 0.02 0.00 93.44 0.19 95 T E E 88.85 5.96 15.17 22.71 103.26 -167.03 -105.37 3.55 49.73 50.15 0.11 23.16 23.94 1.65 0.01 0.11 0.00 50.75 0.38 96 G C S 38.23 2.87 17.04 20.04 134.80 20.06 -136.90 -172.56 72.75 26.85 0.40 11.98 53.31 7.07 0.04 0.40 0.00 25.99 1.20 97 K C T 160.16 2.64 13.83 17.66 94.73 -75.07 -67.97 -24.84 98.68 0.54 0.78 1.55 43.16 54.13 0.04 0.67 0.00 0.33 0.12 98 S C T 78.15 4.21 15.11 20.36 100.55 24.32 -106.54 4.20 98.41 0.95 0.64 2.29 42.76 53.49 0.03 0.60 0.00 0.71 0.13 99 S E E 33.50 9.28 16.58 27.57 131.76 67.60 -134.25 151.09 42.27 57.56 0.18 32.69 8.78 0.89 0.03 0.17 0.00 56.66 0.78 100 Y E E 33.09 19.89 13.82 33.51 134.01 -176.29 -136.50 151.32 9.29 90.69 0.01 8.28 0.49 0.04 0.00 0.01 0.00 91.06 0.13 101 K E E 83.03 8.50 25.02 34.09 123.83 -154.27 -121.44 138.09 0.77 99.23 0.00 0.68 0.03 0.00 0.00 0.00 0.00 99.27 0.01 102 L E E 14.23 23.18 16.67 39.90 117.69 -141.65 -94.89 132.53 0.43 99.57 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.57 0.01 103 A E E 24.34 12.63 23.52 36.74 123.36 -166.48 -115.44 138.33 2.12 97.88 0.01 1.99 0.08 0.01 0.00 0.00 0.00 97.88 0.04 104 Y E E 56.48 17.60 19.32 36.25 124.54 -149.06 -111.64 141.17 12.32 87.61 0.07 11.07 0.82 0.10 0.02 0.03 0.00 87.51 0.44 105 Y E E 45.53 16.07 18.58 34.86 126.40 -166.53 -122.66 140.45 46.40 52.95 0.65 40.08 4.41 0.83 0.23 0.40 0.00 52.65 1.40 106 R C C 112.69 9.30 20.41 30.14 117.15 -142.49 -101.30 128.19 60.13 38.90 0.97 54.12 4.03 1.04 0.41 0.57 0.00 36.62 3.20 107 V C C 43.25 16.26 14.25 30.29 108.98 -158.81 -91.16 101.26 78.12 16.72 5.16 58.85 12.90 6.05 2.44 2.82 0.00 13.96 2.97 108 V C C 71.79 7.94 14.95 24.01 117.65 31.12 -106.22 130.03 84.64 7.98 7.39 59.75 15.88 9.10 3.05 4.30 0.00 5.77 2.14 109 S C C 64.25 6.89 11.75 20.01 111.36 -156.23 -92.04 122.81 81.25 3.46 15.29 45.85 18.86 17.00 4.51 10.44 0.01 2.18 1.16 110 N C C 101.97 4.59 10.54 16.72 106.11 -163.25 -89.06 57.84 78.59 2.00 19.41 42.15 15.72 20.96 4.35 14.91 0.00 1.08 0.83 111 K C C 137.11 3.60 9.86 15.16 103.91 131.03 -83.70 17.27 76.28 2.40 21.32 38.05 16.56 22.19 4.51 16.45 0.00 1.26 0.99 112 Y C C 153.31 3.83 8.55 14.12 108.40 101.48 -88.79 88.86 83.08 1.80 15.12 64.87 3.41 16.24 4.29 9.35 0.00 1.08 0.75 113 E C C 133.49 3.39 11.00 16.18 110.69 -149.90 -90.44 119.13 99.81 0.08 0.11 99.60 0.14 0.15 0.04 0.01 0.00 0.04 0.01