# 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 70.14 12.66 19.38 31.76 120.64 -152.92 -100.06 139.12 99.90 0.09 0.00 99.85 0.07 0.02 0.00 0.00 0.00 0.05 0.00 1 S C C 27.96 14.80 18.13 33.07 121.05 -145.67 -102.15 143.44 78.46 21.45 0.09 75.86 1.18 0.40 0.01 0.06 0.00 21.99 0.50 2 M E E 38.20 15.83 20.52 36.47 125.83 -160.75 -119.81 140.93 19.72 80.23 0.05 16.77 2.25 0.16 0.01 0.04 0.00 80.43 0.34 3 L E E 11.93 21.17 21.17 42.49 121.63 -157.84 -114.36 132.69 1.75 98.24 0.00 1.63 0.08 0.00 0.00 0.00 0.00 98.25 0.04 4 V E E 16.34 17.65 25.74 43.40 118.31 -160.36 -110.68 125.57 0.38 99.62 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.65 0.00 5 V E E 5.91 23.91 23.49 47.44 118.77 -165.74 -112.38 126.19 0.22 99.78 0.00 0.19 0.01 0.00 0.00 0.00 0.00 99.80 0.00 6 V E E 21.59 15.58 26.48 42.23 120.60 -166.82 -114.23 129.51 0.42 99.58 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.60 0.01 7 T E E 8.81 22.67 18.40 41.11 129.00 -170.69 -122.52 146.97 4.16 95.82 0.02 3.88 0.13 0.02 0.00 0.01 0.00 95.82 0.13 8 E E E 77.04 9.51 23.29 32.99 127.36 -162.13 -120.54 145.77 39.28 60.59 0.13 11.68 24.22 3.07 0.01 0.12 0.00 60.50 0.39 9 N C S 104.20 4.17 23.28 27.95 94.85 8.00 59.23 47.45 85.54 14.37 0.10 21.81 57.73 5.13 0.01 0.12 0.00 14.75 0.44 10 V C C 12.79 24.11 10.27 33.58 117.85 173.67 -83.64 138.85 94.18 5.75 0.07 77.31 17.35 0.14 0.03 0.03 0.00 4.08 1.05 11 P C C 39.72 8.31 17.73 27.95 113.17 -104.00 -63.16 145.61 99.85 0.09 0.06 99.53 0.34 0.04 0.03 0.01 0.00 0.03 0.02 12 P H H 98.58 3.75 15.77 21.02 91.30 -115.41 -57.62 -34.75 17.24 0.06 82.70 1.65 1.37 12.38 45.32 39.22 0.01 0.03 0.03 13 R H H 150.76 2.69 17.40 20.79 90.55 61.11 -65.48 -27.98 13.81 0.12 86.07 1.15 1.08 10.04 46.83 40.76 0.02 0.07 0.04 14 L H H 17.15 20.52 12.07 32.24 95.93 50.48 -87.12 -14.49 11.71 0.36 87.93 2.39 1.53 6.73 46.82 42.17 0.03 0.24 0.08 15 R H H 101.64 14.73 15.43 29.43 93.87 81.22 -59.53 -42.23 20.70 0.47 78.83 3.63 2.66 13.92 64.16 14.93 0.21 0.27 0.22 16 G H H 48.31 2.49 20.80 22.65 93.24 44.49 -60.94 -32.07 32.11 0.31 67.59 2.64 2.88 24.66 51.40 17.91 0.17 0.17 0.18 17 R H H 100.88 9.40 19.58 29.18 92.81 55.01 -72.00 -34.07 25.36 0.70 73.94 5.59 3.77 15.02 54.43 20.34 0.16 0.41 0.28 18 L H H 6.68 25.60 13.93 39.23 92.19 60.03 -67.14 -37.24 20.94 2.40 76.67 8.78 3.84 8.64 54.26 22.14 0.14 1.61 0.59 19 A H H 46.96 12.37 18.90 31.19 91.50 63.28 -64.95 -29.80 20.61 3.08 76.31 7.22 3.05 9.48 45.01 32.11 0.10 2.53 0.50 20 I H H 102.81 4.48 22.83 27.20 93.36 56.58 -74.33 -25.74 24.70 4.91 70.39 5.93 4.02 13.72 36.72 34.45 0.28 4.10 0.78 21 W H H 59.43 16.83 18.92 35.00 100.01 42.23 -96.63 -17.52 30.51 10.78 58.70 8.24 5.80 16.76 30.39 27.98 0.37 9.11 1.34 22 L E E 13.03 24.32 15.37 39.01 122.59 79.79 -104.94 139.33 36.24 42.75 21.01 18.94 10.56 8.50 13.09 7.73 0.22 38.97 1.98 23 L E E 58.84 10.94 22.71 33.90 118.05 -155.61 -105.39 128.88 12.02 83.49 4.49 9.21 1.92 1.30 3.56 1.21 0.00 81.82 0.97 24 E E E 79.94 13.28 17.34 30.67 110.30 -136.53 -87.23 118.10 5.32 93.73 0.95 4.67 0.46 0.24 0.87 0.21 0.00 92.81 0.73 25 V E E 62.11 11.19 16.25 28.08 99.75 176.68 -89.66 -32.40 15.50 82.63 1.87 10.58 3.41 1.56 1.08 0.66 0.00 82.19 0.52 26 R E E 118.58 3.75 19.62 23.68 138.23 -1.19 -150.59 162.36 24.26 73.05 2.69 5.94 7.88 13.63 1.01 1.50 0.02 68.46 1.56 27 A C T 75.48 4.84 16.86 22.86 109.14 -65.73 -62.46 131.32 96.79 1.21 2.00 2.52 7.83 86.69 0.38 1.39 0.00 0.98 0.21 28 G C T 30.68 10.35 17.18 28.02 98.30 14.27 86.92 -1.89 97.67 1.75 0.58 3.24 9.70 84.63 0.05 0.51 0.00 1.76 0.13 29 V E E 34.24 14.40 16.72 32.20 119.92 114.95 -109.36 128.82 5.79 94.19 0.02 4.88 0.73 0.06 0.01 0.01 0.00 93.63 0.68 30 Y E E 59.10 14.46 20.16 34.87 127.98 -172.88 -122.40 143.05 1.48 98.51 0.01 1.39 0.08 0.01 0.00 0.00 0.00 97.58 0.94 31 V E E 33.94 17.17 19.49 36.54 126.39 -165.05 -124.88 138.19 13.79 86.18 0.03 13.10 0.51 0.05 0.01 0.01 0.00 85.48 0.84 32 G C E 16.50 13.21 20.31 33.71 137.45 142.65 -140.05 177.33 56.59 43.28 0.12 39.40 15.51 1.01 0.02 0.11 0.00 43.11 0.84 33 D C C 99.67 4.71 22.78 28.05 109.91 -71.77 -84.75 121.12 79.22 20.59 0.19 56.82 20.92 1.24 0.04 0.17 0.00 19.56 1.25 34 V C C 22.36 21.73 10.21 30.80 123.19 153.17 -108.66 144.56 84.40 15.36 0.24 80.30 4.75 0.19 0.17 0.09 0.00 10.14 4.37 35 S C C 54.93 3.38 20.14 23.09 119.27 -113.06 -73.69 158.99 95.83 3.99 0.18 96.28 0.49 0.07 0.11 0.03 0.00 2.01 1.01 36 A H H 71.50 6.09 13.76 21.59 91.57 -109.37 -58.26 -37.62 2.04 0.00 97.95 0.39 0.29 1.09 98.00 0.23 0.00 0.00 0.00 37 K H H 140.47 1.34 18.51 18.62 91.66 54.27 -64.18 -40.00 0.88 0.00 99.12 0.12 0.08 0.56 99.05 0.19 0.00 0.00 0.00 38 I H H 37.39 12.98 16.18 30.05 92.22 48.41 -65.83 -41.35 0.27 0.00 99.73 0.05 0.02 0.14 99.66 0.13 0.00 0.00 0.00 39 R H H 41.08 19.54 15.56 34.29 91.40 52.28 -61.82 -42.97 0.09 0.00 99.91 0.02 0.01 0.04 99.91 0.02 0.00 0.00 0.00 40 E H H 95.90 4.90 21.76 26.97 91.50 50.49 -63.75 -40.98 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 41 M H H 81.76 4.35 22.69 26.91 91.45 50.05 -64.21 -42.29 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 42 I H H 7.91 21.94 18.72 40.68 91.99 48.78 -63.93 -43.67 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 43 W H H 37.87 20.17 19.80 38.99 91.48 50.44 -62.85 -42.65 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 44 E H H 113.35 2.85 24.28 26.62 91.56 50.24 -63.70 -41.40 0.08 0.00 99.92 0.00 0.00 0.06 99.93 0.01 0.00 0.00 0.00 45 Q H H 73.28 8.45 22.85 31.48 91.92 48.65 -65.03 -41.56 0.19 0.00 99.81 0.01 0.01 0.14 99.81 0.03 0.00 0.00 0.00 46 I H H 2.91 26.15 16.44 43.11 91.29 48.32 -64.70 -42.49 0.50 0.00 99.50 0.03 0.02 0.37 99.44 0.13 0.00 0.00 0.00 47 A H H 35.85 15.18 18.81 33.52 91.59 52.92 -63.31 -37.91 3.01 0.01 96.98 0.15 0.12 2.64 96.18 0.89 0.00 0.00 0.00 48 G H H 51.34 1.69 23.46 23.59 91.90 53.14 -68.97 -27.38 20.27 0.02 79.72 0.41 0.55 19.86 77.43 1.71 0.01 0.01 0.01 49 L H H 51.67 12.49 17.77 30.70 96.54 50.07 -85.04 -21.00 33.92 0.11 65.98 1.86 2.52 28.92 64.49 2.06 0.04 0.04 0.07 50 A C C 14.32 22.94 10.79 32.25 102.83 79.16 -79.72 21.45 73.22 3.31 23.47 50.61 10.91 10.83 19.28 4.97 0.01 1.59 1.79 51 E C T 142.28 2.12 20.96 23.06 96.45 139.25 -73.42 -34.00 82.34 3.76 13.89 28.25 21.92 33.58 6.40 6.33 0.02 2.01 1.48 52 E C T 128.49 3.59 20.14 23.92 104.81 15.80 -103.81 17.75 85.75 4.02 10.23 7.24 32.67 47.91 2.12 6.29 0.02 2.87 0.87 53 G C S 15.64 13.85 17.87 31.77 134.21 13.81 130.32 -170.78 80.44 17.54 2.03 16.27 52.43 11.19 0.18 1.74 0.00 17.32 0.87 54 N E E 49.80 10.92 24.07 35.46 122.90 -76.44 -110.95 141.80 22.29 77.59 0.13 19.44 2.08 0.30 0.02 0.10 0.00 77.67 0.39 55 V E E 10.05 23.91 18.10 41.98 125.90 -163.39 -124.14 136.28 1.36 98.64 0.00 1.25 0.05 0.00 0.00 0.00 0.00 98.65 0.05 56 V E E 26.43 15.54 26.08 41.45 123.58 -167.76 -119.75 133.68 0.30 99.70 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.71 0.00 57 M E E 26.95 19.15 22.94 41.45 122.69 -163.68 -113.88 131.62 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 58 A E E 17.46 17.74 21.00 38.70 125.46 -170.88 -122.19 138.72 0.32 99.68 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 59 W E E 75.90 12.46 21.86 34.59 134.63 -174.93 -138.00 151.14 0.63 99.36 0.00 0.57 0.02 0.00 0.00 0.00 0.00 99.39 0.02 60 A E E 45.90 11.59 17.02 29.10 116.32 -118.52 -87.44 137.63 5.56 94.43 0.01 5.19 0.24 0.01 0.00 0.00 0.00 94.35 0.20 61 T C C 43.39 10.88 12.09 24.28 126.95 -168.35 -120.59 153.75 53.58 46.36 0.06 49.57 2.48 0.21 0.01 0.05 0.00 46.91 0.77 62 N C S 135.42 1.28 14.05 15.44 98.45 -127.11 -86.14 14.16 92.71 7.15 0.15 15.05 72.25 4.94 0.01 0.16 0.00 7.23 0.35 63 T C S 73.06 3.90 10.38 16.27 123.42 98.47 -100.90 160.35 93.98 5.47 0.55 14.35 72.07 7.96 0.06 0.49 0.00 4.05 1.00 64 E C T 159.45 1.52 11.69 14.01 93.33 -110.79 -66.53 -25.01 98.46 0.64 0.90 4.39 37.46 56.56 0.04 0.99 0.00 0.43 0.13 65 T C T 98.69 2.46 12.73 15.83 99.20 52.02 -90.12 -0.35 97.37 2.01 0.62 5.74 31.47 60.07 0.03 0.74 0.00 1.78 0.17 66 G E E 22.11 8.02 14.53 24.12 131.59 -77.79 131.72 -175.11 48.12 51.70 0.18 36.75 10.69 0.99 0.03 0.20 0.00 50.29 1.05 67 F E E 63.57 15.24 12.81 28.13 131.05 -68.20 -130.85 148.94 8.66 91.33 0.01 8.25 0.32 0.02 0.00 0.00 0.00 91.15 0.25 68 E E E 88.80 7.36 20.33 28.68 124.98 -158.70 -121.35 139.72 0.98 99.02 0.00 0.84 0.06 0.00 0.00 0.00 0.00 99.07 0.02 69 F E E 57.71 18.36 14.42 32.35 125.43 -166.71 -122.52 137.59 0.40 99.60 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.01 70 Q E E 74.63 8.89 21.39 31.07 125.69 -171.77 -125.40 138.61 0.47 99.53 0.00 0.40 0.02 0.00 0.00 0.00 0.00 99.57 0.01 71 T E E 35.64 16.89 16.13 32.93 126.35 -166.38 -120.87 142.63 2.15 97.84 0.01 1.95 0.07 0.01 0.00 0.00 0.00 97.87 0.10 72 F E E 74.87 10.36 18.80 30.14 125.95 -172.28 -126.43 139.53 24.07 75.76 0.17 17.50 6.10 0.92 0.04 0.13 0.00 74.67 0.63 73 G C S 30.80 7.03 18.32 26.43 123.93 24.79 100.48 -171.12 64.54 35.09 0.37 22.14 37.48 5.19 0.04 0.38 0.00 33.79 0.97 74 L C S 97.30 7.12 16.24 24.12 111.77 -57.49 -87.19 124.03 79.47 19.23 1.30 27.80 40.64 11.47 0.12 1.37 0.00 17.18 1.43 75 N C S 87.37 8.50 14.66 23.91 106.92 46.23 -91.80 90.76 85.76 12.88 1.36 30.79 40.04 14.95 0.11 1.55 0.00 11.58 1.00 76 R C C 129.54 6.88 16.37 24.24 109.98 75.14 -95.63 102.15 73.88 25.15 0.97 52.10 15.64 5.28 0.10 1.15 0.00 24.59 1.13 77 R E E 92.67 13.94 12.63 26.45 121.73 150.24 -105.04 136.87 32.50 67.37 0.13 27.40 4.20 0.41 0.03 0.12 0.00 66.01 1.83 78 T E E 70.25 6.07 18.12 25.37 118.66 -162.20 -115.51 126.18 16.61 83.38 0.01 15.51 0.62 0.02 0.00 0.00 0.00 83.57 0.27 79 P E E 69.90 10.48 13.01 24.37 115.27 -121.32 -69.33 142.40 11.02 88.97 0.00 10.73 0.18 0.01 0.00 0.00 0.00 88.98 0.10 80 V E E 59.73 8.57 12.96 23.31 126.06 -169.96 -124.27 143.95 1.97 98.02 0.01 1.69 0.12 0.01 0.00 0.00 0.00 98.08 0.09 81 D E E 108.43 3.02 12.60 17.51 114.57 -137.01 -100.62 122.69 4.42 95.56 0.02 3.75 0.28 0.04 0.00 0.01 0.00 95.82 0.10 82 L E E 72.32 8.62 8.21 18.14 118.44 175.14 -130.50 118.76 13.15 86.66 0.19 8.51 3.25 1.32 0.03 0.18 0.00 86.12 0.60 83 D C T 131.66 0.86 12.04 12.55 94.69 -23.60 51.51 43.69 98.75 0.81 0.44 1.02 9.68 88.12 0.01 0.46 0.00 0.62 0.09 84 G C T 62.37 1.24 11.84 13.14 95.30 -49.15 81.22 1.21 99.35 0.28 0.37 0.99 10.48 87.88 0.01 0.40 0.00 0.20 0.03 85 L E E 73.36 7.87 9.96 19.60 124.29 103.06 -113.93 141.65 9.58 90.39 0.04 6.22 2.82 0.37 0.00 0.03 0.00 90.26 0.30 86 R E E 127.17 5.50 15.14 22.17 115.23 -132.58 -94.17 128.64 1.63 98.37 0.00 1.36 0.09 0.01 0.00 0.00 0.00 98.50 0.04 87 L E E 45.19 13.00 13.97 28.17 122.58 -167.85 -112.11 137.34 1.05 98.95 0.00 0.90 0.03 0.00 0.00 0.00 0.00 99.04 0.02 88 V E E 48.53 10.74 17.29 29.44 120.46 -157.79 -111.03 134.50 1.41 98.58 0.00 1.21 0.07 0.00 0.00 0.00 0.00 98.69 0.03 89 S E E 29.41 12.71 17.55 31.39 130.12 -172.58 -127.12 147.90 3.22 96.76 0.02 2.78 0.23 0.03 0.01 0.01 0.00 96.84 0.10 90 F E E 72.31 12.74 17.38 30.73 124.21 -157.10 -121.43 136.50 16.14 83.79 0.06 13.71 2.11 0.18 0.02 0.04 0.00 83.26 0.68 91 L C C 60.64 10.66 16.43 28.28 120.74 -154.80 -106.97 134.84 64.66 35.26 0.08 56.88 5.42 0.22 0.02 0.06 0.00 36.84 0.57 92 P C C 66.72 8.70 14.93 24.75 111.98 -111.03 -67.59 142.86 74.91 23.94 1.15 63.18 7.97 2.67 0.27 0.91 0.00 23.56 1.44 93 V C C 82.96 8.24 11.77 21.23 112.84 -145.30 -95.17 126.82 85.37 9.33 5.30 52.76 20.21 12.88 1.45 3.85 0.01 6.00 2.85 94 G C C 52.04 3.05 13.88 17.91 112.11 16.38 78.71 -12.87 89.46 3.34 7.21 38.13 31.98 19.92 1.94 4.96 0.00 1.80 1.27 95 S C C 76.02 4.28 11.82 17.55 107.05 -23.61 -88.68 76.99 84.56 2.09 13.35 43.11 23.62 18.35 5.16 7.66 0.00 0.97 1.13 96 S C C 64.61 6.89 10.55 18.80 105.93 116.76 -85.82 55.87 67.66 1.88 30.46 31.95 17.34 19.25 14.83 14.72 0.02 0.87 1.03 97 E C C 125.86 4.08 12.58 18.08 99.20 100.22 -77.86 -11.97 58.04 2.26 39.70 25.00 13.80 19.79 20.59 18.52 0.06 1.15 1.09 98 N C C 89.65 6.06 12.29 19.72 103.87 66.94 -85.71 33.50 53.77 4.56 41.67 28.64 10.89 14.75 21.13 20.26 0.07 2.71 1.55 99 L C C 82.74 8.32 11.09 20.62 102.89 73.58 -81.72 -8.45 50.20 11.00 38.79 29.24 9.69 12.00 20.75 17.83 0.16 7.59 2.74 100 Y C C 127.28 6.63 11.49 19.48 103.27 76.09 -87.03 2.88 52.20 17.48 30.32 29.10 10.47 14.21 15.86 13.67 0.29 12.47 3.94 101 F C C 115.38 6.93 9.28 17.55 107.86 84.77 -92.17 79.62 70.40 12.00 17.59 56.09 2.76 11.62 10.43 6.20 0.00 9.12 3.78 102 Q C C 118.81 4.43 12.13 18.15 106.31 93.95 -87.80 86.65 99.81 0.16 0.03 99.74 0.08 0.05 0.01 0.00 0.00 0.10 0.01