# 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 63.24 13.50 14.52 28.27 122.70 -164.85 -108.24 138.41 98.85 1.14 0.01 98.75 0.24 0.04 0.00 0.00 0.00 0.91 0.06 1 E E B 98.31 6.16 14.08 21.86 125.46 -163.54 -117.15 146.45 9.23 90.65 0.12 8.09 0.31 0.03 0.13 0.01 0.00 18.58 72.85 2 N C C 55.31 8.64 9.65 19.80 123.57 -132.01 -84.90 173.69 91.24 8.55 0.22 91.08 0.87 0.29 0.06 0.10 0.00 5.89 1.71 3 D C T 129.94 1.17 11.01 12.92 92.35 -88.70 -66.79 -17.84 96.52 1.82 1.66 1.50 5.85 89.17 0.08 1.69 0.00 1.46 0.24 4 K C T 153.89 1.18 11.31 12.52 94.01 54.07 -88.78 1.99 98.17 0.22 1.61 0.46 4.26 93.56 0.06 1.49 0.00 0.12 0.05 5 G C S 43.93 4.63 11.22 17.55 97.55 -102.37 85.56 5.91 98.17 0.84 0.99 10.45 82.95 4.99 0.07 0.78 0.00 0.50 0.26 6 Q C C 92.73 4.63 12.69 19.16 117.92 136.21 -89.71 139.63 91.48 8.26 0.27 78.39 12.24 0.92 0.11 0.18 0.00 5.06 3.11 7 L E B 81.08 8.87 13.08 23.42 113.54 -122.48 -84.73 129.05 14.96 84.72 0.32 11.71 1.24 0.13 0.28 0.08 0.00 23.37 63.18 8 V C C 52.03 11.51 13.78 26.48 120.65 -168.74 -111.41 135.62 73.08 26.43 0.50 67.00 3.94 0.71 0.17 0.33 0.00 26.10 1.75 9 E C C 99.43 8.61 16.92 26.29 115.77 -140.14 -99.56 126.70 70.50 28.59 0.91 56.20 11.64 2.09 0.27 0.71 0.00 26.43 2.67 10 L C C 63.78 13.28 15.08 28.56 113.67 -160.78 -98.35 126.08 62.39 36.35 1.26 46.56 12.91 3.05 0.40 0.98 0.00 32.15 3.94 11 Y C C 108.51 10.13 17.78 28.26 118.03 -160.56 -104.48 129.76 54.42 44.91 0.66 41.09 11.52 1.66 0.28 0.51 0.00 37.36 7.57 12 V C C 47.12 13.49 15.86 29.92 119.84 -165.03 -114.87 126.67 62.36 37.47 0.17 51.40 10.88 0.38 0.08 0.13 0.00 33.95 3.18 13 P C C 53.39 10.03 16.93 28.08 113.23 -112.51 -66.68 144.56 69.30 29.40 1.29 63.78 3.60 1.13 0.62 0.66 0.00 26.98 3.23 14 R C C 120.53 9.76 14.87 25.23 100.70 -133.10 -74.64 -22.92 63.17 17.36 19.46 35.29 19.57 9.45 9.86 9.31 0.26 11.97 4.29 15 K C C 128.08 4.01 17.27 22.11 108.96 61.45 -85.18 105.86 50.68 26.65 22.67 25.71 16.56 10.57 11.25 10.62 0.82 18.14 6.33 16 C C C 44.85 11.67 12.04 24.53 110.30 -128.23 -86.61 118.25 47.54 29.62 22.85 30.35 9.54 7.03 12.20 10.78 0.37 17.47 12.25 17 S C C 47.94 9.27 12.74 23.04 111.87 74.76 -86.95 155.83 61.79 16.22 22.00 36.24 11.33 14.46 11.40 10.03 0.26 9.29 6.99 18 A C T 78.68 4.35 13.49 18.79 95.76 -98.91 -71.12 -21.40 78.32 2.86 18.82 8.37 18.25 51.91 8.35 9.74 0.11 1.75 1.51 19 T C T 85.62 3.56 13.73 18.22 99.01 49.85 -93.92 2.63 84.14 1.85 14.01 8.35 20.06 56.26 5.69 7.46 0.03 1.06 1.09 20 N C C 102.82 6.29 12.39 20.14 97.19 -118.64 61.62 31.68 90.29 5.69 4.03 34.58 33.42 22.86 0.94 2.88 0.00 3.41 1.92 21 R C C 127.66 5.47 14.03 21.09 117.86 140.77 -100.09 139.45 80.75 17.59 1.66 56.30 19.52 5.01 0.54 1.26 0.00 13.61 3.75 22 I C C 97.44 7.53 14.75 23.39 113.42 -119.97 -86.62 126.86 56.13 42.72 1.15 42.69 10.61 1.89 0.55 0.78 0.01 32.31 11.17 23 I C C 50.09 14.48 11.38 26.23 119.12 -154.22 -103.03 133.72 50.12 49.14 0.75 43.03 4.28 0.60 0.52 0.37 0.00 38.88 12.31 24 K C C 114.99 4.10 17.61 22.46 120.18 -137.91 -89.71 151.22 73.65 25.28 1.07 67.13 4.43 1.13 0.52 0.58 0.00 22.18 4.03 25 A C T 63.16 9.44 10.82 21.07 96.54 -110.12 -63.09 -27.44 74.27 5.18 20.55 23.43 17.81 34.66 4.98 14.18 0.04 3.22 1.68 26 D C T 120.81 1.32 15.64 16.49 96.63 55.91 -79.78 -7.25 77.27 2.72 20.02 15.82 20.39 42.08 4.49 14.42 0.03 1.50 1.26 27 D C C 74.16 7.70 12.84 21.67 104.10 67.93 -94.41 17.55 73.23 4.06 22.71 25.64 24.83 24.40 4.73 16.32 0.03 1.96 2.09 28 H C C 101.26 10.05 14.39 24.63 101.04 -137.04 -82.16 11.12 70.03 6.70 23.27 33.53 16.73 21.28 4.22 18.06 0.02 3.84 2.32 29 A C C 49.84 9.52 16.13 26.38 100.17 101.96 -82.33 -4.35 71.37 8.53 20.11 25.60 24.61 22.68 2.27 17.13 0.03 6.24 1.43 30 S C C 44.13 11.26 17.63 29.24 114.88 72.34 -94.20 129.84 53.34 31.18 15.48 30.53 11.46 13.08 1.59 13.13 0.02 29.11 1.08 31 V E E 37.69 15.20 16.54 32.23 123.13 139.76 -114.71 135.79 17.83 81.59 0.58 15.45 2.12 0.39 0.20 0.34 0.00 80.56 0.94 32 Q E E 83.04 10.73 20.03 31.19 120.65 -152.88 -111.18 131.13 4.36 95.57 0.07 4.09 0.27 0.04 0.05 0.03 0.00 94.89 0.63 33 I E E 43.28 16.50 17.09 33.71 121.52 -167.17 -117.11 130.77 5.86 94.11 0.04 5.59 0.29 0.03 0.01 0.02 0.00 93.79 0.26 34 N E E 69.04 9.92 20.82 31.23 111.37 -135.25 -86.55 121.61 10.80 89.16 0.04 10.28 0.42 0.05 0.01 0.02 0.00 88.80 0.42 35 V E E 33.97 17.24 17.72 34.88 100.61 175.51 -97.55 -23.08 18.13 81.67 0.20 11.73 6.74 0.65 0.05 0.14 0.00 79.83 0.86 36 A E E 20.61 14.33 17.66 32.62 135.77 6.31 -147.64 156.44 18.59 81.29 0.12 12.23 6.44 0.58 0.02 0.10 0.00 80.08 0.55 37 K E E 112.13 6.10 20.68 27.44 115.95 -122.10 -97.18 132.72 16.57 83.37 0.05 13.58 2.61 0.23 0.01 0.04 0.00 83.21 0.32 38 V E E 38.82 14.49 10.50 25.52 124.16 -153.48 -112.90 143.01 6.81 93.13 0.05 5.94 0.40 0.02 0.05 0.01 0.00 66.78 26.80 39 D C C 60.27 4.33 13.12 19.08 123.83 -126.55 -80.39 172.75 97.18 2.78 0.04 97.52 0.32 0.06 0.01 0.01 0.00 1.70 0.37 40 E C T 167.71 1.11 10.55 12.53 90.25 -87.55 -63.45 -20.75 99.58 0.15 0.27 0.30 3.33 96.03 0.01 0.21 0.00 0.10 0.02 41 E C T 156.53 0.57 11.97 11.15 93.02 54.27 -87.62 1.50 99.68 0.07 0.25 0.20 3.33 96.20 0.01 0.21 0.00 0.03 0.01 42 G C S 40.59 6.88 10.04 18.49 96.19 -105.39 84.61 7.24 99.24 0.48 0.29 13.95 84.16 1.28 0.02 0.20 0.00 0.22 0.16 43 R C C 132.80 2.64 14.33 18.26 118.56 136.55 -86.12 144.30 97.90 2.02 0.08 88.68 8.72 0.59 0.02 0.05 0.00 1.23 0.71 44 A E B 52.97 10.12 11.69 22.87 114.80 -109.78 -73.70 140.33 7.13 92.81 0.06 5.48 0.61 0.03 0.06 0.01 0.00 35.60 58.21 45 I C C 58.18 10.37 11.39 23.40 112.89 -127.19 -85.90 126.19 59.49 40.40 0.11 56.53 2.43 0.24 0.02 0.09 0.00 39.28 1.41 46 P C E 103.25 3.00 13.92 18.42 110.94 -110.38 -67.22 139.05 60.67 37.38 1.96 21.62 16.93 23.52 0.16 1.91 0.00 34.82 1.05 47 G C E 56.45 2.35 14.90 17.75 99.44 18.74 84.48 -2.85 67.51 30.18 2.31 12.20 28.75 27.01 0.12 2.23 0.00 28.82 0.87 48 E C C 101.72 6.26 14.38 21.88 112.02 99.83 -99.69 118.66 61.52 36.92 1.56 42.44 14.68 3.75 0.12 1.69 0.00 36.56 0.74 49 Y E E 99.11 13.31 13.39 26.70 122.62 79.74 -110.36 138.08 26.87 73.00 0.13 22.75 3.10 0.35 0.02 0.12 0.00 73.15 0.51 50 V E E 49.42 11.68 18.53 31.11 124.64 -167.94 -122.49 137.66 2.83 97.17 0.00 2.59 0.12 0.01 0.00 0.00 0.00 97.18 0.10 51 T E E 47.85 14.34 19.65 33.97 120.04 -146.63 -106.25 132.78 0.87 99.13 0.00 0.81 0.02 0.00 0.00 0.00 0.00 99.13 0.03 52 Y E E 28.75 18.35 20.90 39.18 128.74 -171.96 -127.82 143.42 1.20 98.80 0.00 1.13 0.04 0.00 0.00 0.00 0.00 98.78 0.05 53 A E E 19.13 17.06 24.77 41.61 118.14 -136.42 -98.53 132.96 4.53 95.46 0.01 4.13 0.21 0.01 0.00 0.00 0.00 95.54 0.10 54 L E E 10.51 22.57 21.58 43.70 120.72 -161.20 -110.94 135.47 18.44 81.51 0.05 17.58 0.55 0.05 0.02 0.02 0.00 79.73 2.03 55 S C C 16.54 15.71 21.47 37.25 127.78 -155.25 -100.91 163.42 77.00 22.73 0.27 75.38 1.79 0.15 0.18 0.07 0.00 21.16 1.26 56 G H H 28.44 10.05 20.86 31.46 93.89 -95.34 -57.52 -43.40 6.12 0.04 93.84 0.63 1.33 4.19 92.48 1.31 0.03 0.02 0.02 57 Y H H 108.51 5.34 22.29 27.90 91.71 50.84 -64.79 -39.52 1.86 0.01 98.13 0.18 0.20 1.45 96.94 1.21 0.01 0.01 0.00 58 V H H 11.04 18.29 14.86 33.79 91.99 50.54 -65.10 -41.79 1.06 0.02 98.92 0.16 0.11 0.74 97.27 1.70 0.00 0.01 0.00 59 R H H 77.84 14.25 14.84 28.99 91.65 51.09 -63.43 -40.90 1.59 0.01 98.40 0.21 0.13 1.15 96.91 1.59 0.00 0.01 0.00 60 S H H 82.03 2.36 17.18 19.97 90.51 54.47 -66.54 -27.71 14.01 0.03 85.96 0.46 0.59 13.19 84.34 1.37 0.02 0.01 0.02 61 R C T 143.98 3.37 15.39 19.61 93.72 51.93 -87.96 -0.04 75.51 0.04 24.44 0.53 1.92 71.95 24.57 0.97 0.00 0.01 0.04 62 G C T 50.48 3.87 16.12 21.16 97.11 -106.20 82.67 10.08 98.99 0.08 0.93 3.87 5.75 89.48 0.65 0.17 0.00 0.04 0.03 63 E C C 79.20 10.58 14.46 25.98 108.77 134.60 -91.94 103.79 97.09 0.66 2.25 84.64 9.41 2.99 1.63 0.54 0.00 0.23 0.57 64 S C C 38.03 13.31 16.73 29.87 110.18 154.59 -94.20 36.66 87.12 0.53 12.35 73.65 8.44 4.16 11.87 1.33 0.00 0.18 0.38 65 D H H 74.06 11.09 18.68 29.44 94.94 70.72 -66.72 -35.96 14.42 0.09 85.49 6.75 3.59 4.59 83.48 1.50 0.01 0.03 0.05 66 D H H 86.15 3.36 22.82 25.70 92.52 52.50 -65.94 -40.28 4.45 0.02 95.52 1.25 0.61 2.44 94.11 1.57 0.01 0.01 0.01 67 S H H 26.35 10.98 19.72 31.66 92.16 51.06 -64.96 -42.26 2.53 0.03 97.45 0.80 0.30 1.36 95.74 1.77 0.00 0.01 0.01 68 L H H 19.07 20.14 18.27 37.94 92.03 50.11 -64.24 -42.53 1.32 0.02 98.66 0.35 0.16 0.72 98.06 0.69 0.00 0.01 0.00 69 N H H 60.38 9.95 21.62 31.82 91.64 51.07 -63.79 -41.42 1.59 0.02 98.39 0.49 0.18 0.85 98.15 0.32 0.00 0.01 0.00 70 R H H 117.52 3.42 23.99 26.87 91.72 50.31 -64.27 -42.32 0.79 0.01 99.20 0.18 0.07 0.46 99.08 0.21 0.00 0.00 0.00 71 L H H 27.86 12.93 19.36 33.32 91.97 49.46 -64.31 -43.00 0.41 0.01 99.58 0.07 0.04 0.25 99.47 0.17 0.00 0.00 0.00 72 A H H 10.49 16.26 15.17 32.51 91.97 50.05 -63.93 -42.46 0.52 0.01 99.47 0.11 0.04 0.31 99.34 0.19 0.00 0.00 0.00 73 Q H H 103.84 4.25 17.53 22.71 92.39 48.73 -65.21 -41.13 1.05 0.00 98.95 0.13 0.06 0.76 98.65 0.40 0.00 0.00 0.00 74 N H H 112.58 2.34 17.15 19.73 92.11 50.05 -67.13 -33.57 4.50 0.01 95.49 0.10 0.13 4.36 95.02 0.37 0.01 0.00 0.00 75 D C T 72.50 7.77 13.65 22.60 94.34 46.43 -89.71 -2.53 71.49 0.03 28.47 0.36 1.13 69.06 28.83 0.57 0.00 0.01 0.03 76 G C T 47.54 3.77 16.56 21.31 95.21 -115.04 79.95 10.10 98.52 0.03 1.44 1.96 2.55 94.20 1.02 0.25 0.00 0.01 0.02 77 L C S 55.13 11.14 14.25 26.59 95.66 119.48 -74.07 -27.57 85.79 1.26 12.95 24.42 30.69 30.53 6.52 6.42 0.01 0.50 0.91 78 L C T 35.33 17.91 12.13 29.22 102.16 39.59 -102.71 15.61 67.75 5.49 26.76 16.04 17.45 34.55 11.10 14.51 0.53 2.54 3.28 79 K C T 122.97 5.41 15.78 22.77 102.06 129.46 -65.71 -23.86 53.93 2.73 43.33 13.17 8.80 31.59 15.44 28.15 0.12 1.60 1.14 80 N C T 117.82 2.62 16.89 19.81 96.99 30.07 -74.54 16.49 55.87 2.13 42.00 12.10 9.62 33.72 15.14 27.11 0.16 1.19 0.97 81 V C T 56.16 12.97 11.82 25.01 104.41 107.52 -87.67 8.54 55.20 4.41 40.39 18.18 14.66 23.25 16.88 22.57 0.22 2.32 1.91 82 W C C 122.79 9.19 12.60 22.67 116.20 55.78 -106.29 126.52 59.97 10.63 29.41 27.08 16.50 17.52 15.42 13.04 0.32 5.72 4.39 83 S C C 66.63 5.26 12.78 19.61 116.31 -159.25 -104.14 133.16 70.00 9.67 20.33 47.08 11.91 10.75 10.55 10.06 0.03 6.47 3.15 84 Y C C 140.99 6.49 9.26 17.23 108.47 -152.28 -93.44 91.16 74.15 7.88 17.96 35.43 17.29 22.87 7.55 9.54 0.05 5.06 2.21 85 S C C 83.23 2.61 9.51 13.91 111.37 143.88 -93.01 120.91 85.52 4.09 10.39 67.02 2.44 17.43 4.61 4.21 0.00 2.98 1.31 86 R C C 162.62 3.68 10.72 16.40 109.75 -146.23 -91.04 111.82 99.80 0.16 0.04 99.70 0.10 0.07 0.02 0.00 0.00 0.09 0.02