# 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 65.61 13.08 14.38 27.77 122.41 -165.52 -107.86 138.34 98.89 1.10 0.01 98.80 0.24 0.04 0.00 0.00 0.00 0.85 0.06 1 E E B 99.82 6.05 13.82 21.50 125.34 -163.63 -115.88 144.73 11.42 88.40 0.17 9.82 0.39 0.05 0.18 0.02 0.00 18.52 71.01 2 N C C 56.65 8.53 9.55 19.57 122.95 -130.88 -84.19 173.45 90.85 8.83 0.32 90.23 1.06 0.41 0.09 0.16 0.00 6.23 1.82 3 D C T 129.66 1.19 10.94 12.88 92.76 -88.54 -66.99 -17.69 95.57 2.29 2.15 1.93 6.40 87.23 0.12 2.16 0.00 1.85 0.31 4 K C T 153.60 1.22 11.33 12.60 94.20 54.06 -88.70 2.12 97.65 0.27 2.08 0.60 4.71 92.45 0.09 1.92 0.00 0.15 0.07 5 G C S 43.56 4.72 11.21 17.62 97.31 -102.14 85.51 6.00 97.78 1.01 1.21 10.93 81.63 5.45 0.09 0.98 0.00 0.61 0.32 6 Q C C 91.76 4.88 12.73 19.43 117.44 136.91 -89.66 139.73 91.21 8.44 0.35 76.29 13.89 1.10 0.14 0.23 0.00 5.09 3.24 7 L E B 78.58 9.11 13.32 23.88 113.76 -122.32 -86.62 128.78 17.93 81.64 0.43 13.97 1.73 0.19 0.37 0.12 0.00 24.10 59.50 8 V C C 50.34 12.12 14.08 27.24 120.38 -168.63 -110.89 135.62 71.94 27.61 0.46 66.17 3.78 0.63 0.16 0.29 0.00 27.32 1.67 9 E C C 96.59 9.03 17.52 27.24 116.83 -140.23 -99.21 128.88 65.73 33.58 0.69 54.78 8.79 1.39 0.22 0.51 0.00 31.64 2.68 10 L C C 58.60 14.23 15.64 29.99 115.40 -157.48 -101.35 130.29 55.26 43.90 0.84 45.17 8.07 1.59 0.30 0.60 0.00 40.39 3.88 11 Y E E 101.93 10.63 18.63 29.58 118.19 -159.15 -104.63 130.07 47.68 51.85 0.46 38.28 7.80 0.94 0.22 0.33 0.00 44.60 7.82 12 V C C 42.44 14.61 16.24 31.23 120.45 -168.73 -115.08 126.74 60.23 39.62 0.15 51.60 8.48 0.29 0.07 0.10 0.00 36.55 2.91 13 P C C 48.87 10.56 17.36 29.03 112.97 -111.92 -66.72 144.89 70.15 28.47 1.38 64.83 3.54 1.12 0.67 0.67 0.00 26.42 2.75 14 R C C 122.18 9.55 15.38 25.53 97.45 -131.18 -71.80 -28.78 61.60 13.51 24.88 31.38 20.35 11.22 11.81 12.45 0.22 9.11 3.45 15 K C C 127.12 4.01 17.75 22.49 104.38 63.82 -81.41 9.34 49.39 21.67 28.94 22.01 16.98 12.90 13.54 13.84 0.95 14.35 5.44 16 C C C 42.37 12.03 12.60 25.39 107.83 54.70 -86.67 85.50 45.74 25.75 28.50 28.15 9.69 8.13 14.31 13.76 0.45 15.06 10.44 17 S C C 44.68 10.44 12.96 24.22 110.13 79.40 -83.41 -26.80 60.16 15.23 24.62 33.38 11.42 15.59 13.41 10.60 0.30 8.32 6.99 18 A C T 76.65 4.79 14.51 20.00 95.66 -87.47 -71.13 -21.25 78.06 2.60 19.34 7.87 17.16 52.90 9.64 9.27 0.12 1.57 1.45 19 T C T 81.41 4.20 14.31 19.49 98.69 48.92 -93.14 0.48 83.81 1.83 14.35 8.41 19.84 55.97 6.68 6.93 0.03 1.03 1.10 20 N C C 100.71 6.97 13.14 21.39 97.46 -119.26 62.08 30.49 90.86 5.45 3.69 36.93 35.10 19.34 0.97 2.53 0.00 3.19 1.94 21 R C C 126.31 5.72 14.82 22.03 117.57 137.61 -101.01 139.52 82.18 15.92 1.91 58.35 19.28 4.54 0.74 1.31 0.00 12.11 3.66 22 I C C 90.41 8.82 15.29 24.93 113.16 -119.90 -86.09 126.44 58.46 40.09 1.45 45.23 10.35 1.78 0.81 0.85 0.01 28.85 12.13 23 I C C 46.65 15.55 11.78 27.40 117.93 -151.48 -101.62 132.46 53.33 45.68 0.99 45.99 4.44 0.71 0.72 0.46 0.00 35.75 11.92 24 K C C 119.09 4.24 17.92 22.98 119.90 -150.76 -93.00 146.55 74.68 23.95 1.37 67.31 5.07 1.37 0.68 0.73 0.00 21.08 3.76 25 A C C 59.16 10.61 10.65 21.72 101.09 -111.79 -66.15 -20.91 71.61 7.79 20.60 33.61 16.39 23.29 5.34 14.16 0.05 5.04 2.12 26 K C T 161.37 1.37 15.79 16.78 97.51 61.67 -77.92 -14.55 76.09 3.76 20.16 19.89 23.19 34.44 4.65 14.14 0.04 2.07 1.58 27 D C T 79.12 6.74 13.29 21.21 103.87 54.14 -96.26 15.04 73.96 4.06 21.98 24.91 24.24 26.38 4.53 15.91 0.03 2.03 1.97 28 H C C 95.17 10.78 14.27 25.13 101.32 -134.56 -77.87 12.76 69.57 6.14 24.29 29.93 17.82 23.37 3.88 19.45 0.02 3.53 2.01 29 A C S 50.27 9.43 16.75 26.89 99.20 89.97 -80.09 -11.07 71.23 8.17 20.60 22.69 25.89 24.06 2.00 17.92 0.02 6.11 1.30 30 S C E 39.52 12.40 17.51 30.17 116.90 61.61 -102.03 135.20 50.90 32.60 16.50 29.85 10.79 11.90 1.55 14.08 0.01 30.81 1.00 31 V E E 36.16 15.18 17.69 33.39 124.94 116.35 -122.92 136.50 15.97 83.52 0.51 13.76 1.96 0.35 0.17 0.30 0.00 82.70 0.75 32 Q E E 78.99 11.80 20.37 32.33 120.18 -151.88 -110.42 130.46 3.67 96.26 0.07 3.40 0.23 0.04 0.05 0.03 0.00 95.74 0.52 33 I E E 38.62 16.73 17.88 34.81 122.49 -168.14 -119.43 131.04 4.77 95.19 0.04 4.50 0.25 0.03 0.02 0.02 0.00 94.96 0.22 34 S E E 43.68 10.80 20.90 32.28 111.57 -131.76 -84.57 126.01 9.25 90.71 0.04 8.76 0.40 0.04 0.01 0.02 0.00 90.42 0.35 35 I E E 36.30 17.55 18.26 35.75 100.57 175.46 -97.01 -24.18 18.36 81.39 0.25 12.17 6.62 0.74 0.07 0.18 0.00 79.37 0.84 36 A E E 19.67 14.77 18.26 33.51 137.54 7.68 -147.94 156.89 18.93 80.92 0.15 12.22 6.80 0.65 0.03 0.12 0.00 79.71 0.47 37 K E E 110.51 6.29 21.15 28.10 116.20 -120.99 -96.11 132.79 16.10 83.83 0.07 13.03 2.66 0.27 0.01 0.06 0.00 83.70 0.27 38 V E E 35.67 15.47 10.57 26.40 124.08 -158.05 -113.92 143.11 6.28 93.67 0.05 5.43 0.36 0.02 0.05 0.01 0.00 67.73 26.39 39 D C C 59.69 4.40 13.59 19.57 123.66 -125.15 -79.72 172.92 97.08 2.89 0.03 97.42 0.33 0.06 0.01 0.01 0.00 1.79 0.39 40 E C T 166.03 1.32 10.78 13.16 90.36 -88.40 -63.57 -20.75 99.61 0.13 0.26 0.30 3.19 96.17 0.01 0.21 0.00 0.09 0.02 41 D C T 123.67 0.57 12.35 11.44 92.94 54.47 -88.60 1.30 99.69 0.06 0.25 0.21 3.40 96.12 0.01 0.22 0.00 0.03 0.01 42 G C S 38.72 7.76 10.06 19.23 95.74 -105.69 83.96 7.17 99.28 0.43 0.29 13.75 84.57 1.13 0.03 0.19 0.00 0.19 0.16 43 R C C 132.76 2.64 15.03 18.88 118.44 137.38 -85.74 144.75 97.79 2.13 0.09 89.48 7.92 0.50 0.03 0.06 0.00 1.26 0.75 44 A E B 50.07 11.10 11.74 23.69 114.61 -109.11 -73.11 139.73 6.94 92.98 0.08 5.58 0.54 0.04 0.08 0.02 0.00 38.41 55.34 45 I C C 60.41 10.38 11.82 23.76 112.52 -128.72 -86.66 130.93 55.56 44.23 0.21 52.62 2.17 0.35 0.06 0.17 0.00 42.58 2.05 46 A C E 84.32 3.01 13.92 18.45 111.57 -112.06 -67.15 136.35 64.63 33.18 2.19 21.61 18.29 26.48 0.26 1.89 0.01 30.15 1.31 47 G C S 56.62 2.22 15.11 17.79 99.60 20.05 85.35 -4.77 74.11 23.52 2.37 11.61 32.93 29.73 0.17 2.10 0.00 22.59 0.85 48 E C C 101.62 6.70 14.11 22.05 111.33 105.67 -96.74 117.57 68.44 29.72 1.85 46.06 18.10 3.80 0.16 1.92 0.00 29.08 0.88 49 N E E 76.68 11.86 14.21 26.27 119.88 47.65 -109.00 138.62 32.96 66.72 0.32 26.65 5.10 0.80 0.03 0.32 0.00 66.44 0.66 50 I E E 52.22 12.73 17.90 31.41 124.01 -165.57 -119.84 137.21 4.18 95.81 0.01 3.82 0.21 0.01 0.00 0.00 0.00 95.80 0.14 51 T E E 48.13 14.10 20.07 34.14 121.06 -150.51 -107.90 133.24 1.04 98.96 0.00 0.97 0.03 0.00 0.00 0.00 0.00 98.96 0.04 52 Y E E 28.11 18.86 20.91 39.63 127.92 -172.34 -128.12 141.60 1.03 98.96 0.00 0.98 0.03 0.00 0.00 0.00 0.00 98.95 0.04 53 A E E 19.58 17.05 25.03 41.82 118.19 -136.43 -98.32 134.28 3.70 96.29 0.01 3.37 0.17 0.01 0.00 0.00 0.00 96.37 0.08 54 L E E 9.87 22.87 21.53 43.97 121.07 -163.53 -114.49 136.94 16.12 83.83 0.05 15.62 0.42 0.04 0.02 0.02 0.00 82.30 1.58 55 S C C 17.92 15.50 21.64 37.17 125.21 -147.62 -93.12 162.58 75.75 23.83 0.42 73.60 1.99 0.20 0.30 0.11 0.00 22.53 1.27 56 G H H 30.02 9.97 20.93 31.41 93.54 -91.75 -58.47 -41.75 8.12 0.08 91.80 0.89 1.80 5.60 89.27 2.30 0.06 0.05 0.03 57 Y H H 116.02 5.02 22.62 27.85 91.75 51.29 -64.81 -39.37 3.12 0.04 96.84 0.38 0.41 2.37 94.44 2.36 0.03 0.02 0.01 58 V H H 12.25 18.51 15.41 34.39 92.07 50.31 -65.43 -41.50 2.11 0.06 97.83 0.40 0.29 1.44 94.45 3.35 0.01 0.04 0.01 59 R H H 74.73 14.97 15.22 29.93 91.74 51.97 -63.65 -40.14 3.53 0.05 96.41 0.62 0.39 2.46 93.61 2.85 0.03 0.03 0.02 60 G H H 52.51 2.51 17.60 20.48 91.29 55.08 -67.52 -26.27 20.98 0.11 78.91 1.22 1.43 18.52 76.32 2.31 0.08 0.05 0.06 61 R C T 142.44 3.58 15.95 20.32 94.74 53.05 -88.84 -2.57 73.76 0.14 26.10 1.45 4.36 66.18 26.13 1.70 0.01 0.05 0.12 62 G C T 46.68 5.65 15.81 22.79 97.93 -109.00 80.72 7.72 95.65 0.31 4.04 6.31 12.97 76.41 3.15 0.85 0.00 0.14 0.17 63 E C C 90.90 8.40 17.61 26.79 101.39 118.01 -90.67 7.50 91.90 0.89 7.22 72.85 10.84 7.85 5.78 1.68 0.00 0.36 0.65 64 A C C 24.68 17.81 14.86 31.86 98.23 85.29 -74.74 -36.11 70.85 0.68 28.46 55.43 7.51 6.80 27.11 2.50 0.00 0.25 0.41 65 D H H 71.88 10.09 20.00 30.00 93.03 56.44 -65.47 -40.59 20.81 0.17 79.02 11.16 4.24 6.23 75.92 2.31 0.01 0.06 0.09 66 D H H 82.84 3.62 23.38 26.53 92.60 50.39 -66.74 -39.98 8.25 0.07 91.69 2.90 1.27 4.15 89.16 2.45 0.01 0.03 0.03 67 S H H 24.99 12.17 20.18 32.97 92.31 51.11 -65.10 -42.22 4.77 0.06 95.18 1.74 0.63 2.44 92.80 2.32 0.01 0.03 0.02 68 L H H 20.82 20.22 19.03 38.71 92.07 50.16 -64.31 -42.21 2.22 0.03 97.75 0.63 0.30 1.22 96.94 0.88 0.00 0.02 0.01 69 N H H 61.37 9.58 21.94 31.79 91.71 50.97 -64.02 -41.53 1.95 0.03 98.02 0.69 0.24 1.00 97.67 0.37 0.00 0.01 0.01 70 R H H 115.28 3.69 23.85 27.16 91.66 50.21 -64.31 -42.29 0.82 0.01 99.17 0.22 0.08 0.45 99.03 0.21 0.00 0.00 0.00 71 L H H 27.00 13.48 19.27 33.69 92.00 49.80 -64.23 -43.09 0.34 0.01 99.65 0.07 0.03 0.20 99.54 0.15 0.00 0.00 0.00 72 A H H 11.37 15.94 15.30 32.35 91.81 50.07 -63.76 -42.55 0.41 0.00 99.58 0.08 0.03 0.25 99.46 0.18 0.00 0.00 0.00 73 Q H H 105.04 3.98 17.69 22.54 92.42 48.63 -65.23 -41.32 0.81 0.00 99.18 0.09 0.04 0.60 98.95 0.32 0.00 0.00 0.00 74 Q H H 123.08 2.70 17.03 20.13 92.31 50.12 -67.19 -34.86 3.99 0.01 96.01 0.09 0.11 3.85 95.62 0.32 0.00 0.00 0.00 75 D C T 71.72 7.94 13.57 22.69 94.12 45.77 -89.51 -3.99 71.36 0.03 28.60 0.36 1.01 68.91 29.16 0.52 0.00 0.01 0.03 76 G C T 48.53 3.53 16.65 21.12 94.76 -115.32 79.56 11.25 98.60 0.03 1.37 1.91 2.10 94.75 1.02 0.20 0.00 0.01 0.01 77 L C S 54.68 11.27 14.12 26.56 96.02 122.51 -74.80 -25.96 87.42 1.50 11.08 28.93 33.85 24.58 5.94 5.10 0.01 0.59 1.00 78 L C T 36.01 17.87 12.11 29.13 102.87 39.04 -103.90 22.51 68.23 7.77 24.00 19.34 19.68 29.86 10.63 12.03 0.57 3.54 4.36 79 K C T 123.19 5.35 15.89 22.79 103.74 139.28 -67.83 -7.93 54.83 3.84 41.33 15.14 9.31 30.40 14.46 26.81 0.12 2.37 1.40 80 N C T 118.14 2.62 16.89 19.88 97.02 18.04 -73.70 19.97 56.20 2.85 40.95 13.41 10.15 32.66 14.41 26.41 0.17 1.66 1.13 81 V C G 55.93 13.09 11.68 24.96 104.22 113.68 -86.90 3.62 54.73 5.38 39.89 19.41 14.32 22.07 16.03 22.87 0.23 3.02 2.05 82 W C C 123.53 9.12 12.64 22.65 116.04 56.71 -106.52 125.43 58.92 12.23 28.85 27.08 16.23 16.85 14.89 13.03 0.35 6.80 4.76 83 S C C 66.58 5.30 12.71 19.61 116.79 -160.10 -103.74 133.35 69.42 11.23 19.35 46.78 12.17 10.24 10.12 9.45 0.03 7.86 3.36 84 Y C C 140.70 6.56 9.28 17.31 109.07 -153.60 -94.42 90.84 74.08 9.09 16.83 35.52 17.68 22.40 7.15 8.80 0.05 6.12 2.26 85 S C C 83.55 2.58 9.53 13.92 112.18 155.10 -93.44 122.52 85.81 4.57 9.62 67.61 2.49 16.98 4.23 3.92 0.00 3.40 1.38 86 R C C 161.82 3.77 10.72 16.52 110.81 -146.97 -92.52 118.23 99.77 0.19 0.04 99.68 0.10 0.07 0.02 0.00 0.00 0.10 0.02