# 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 111.20 6.78 14.31 22.25 112.84 -145.29 -89.51 125.37 99.89 0.10 0.01 99.82 0.08 0.04 0.00 0.00 0.00 0.05 0.01 1 C C C 63.16 10.04 10.11 20.97 116.66 143.15 -100.72 135.79 94.62 3.33 2.05 87.69 1.67 5.75 0.51 1.12 0.00 2.23 1.02 2 D C C 110.46 2.83 14.60 18.44 104.50 -155.68 -90.35 34.14 92.05 5.44 2.51 54.74 25.60 11.85 0.46 2.26 0.00 4.06 1.04 3 R C C 105.26 11.84 12.53 24.61 113.54 138.28 -92.08 125.59 85.36 11.95 2.69 63.61 16.05 5.27 0.58 2.21 0.00 11.05 1.23 4 K C C 112.88 6.66 20.21 27.73 120.19 -161.97 -104.09 140.36 64.88 33.39 1.72 54.02 7.99 2.05 0.59 1.11 0.00 32.45 1.80 5 A E E 14.08 22.74 12.73 34.82 118.56 -127.87 -92.98 136.19 43.83 55.54 0.63 39.78 2.86 0.51 0.24 0.31 0.00 55.44 0.88 6 V E E 66.62 6.88 24.57 31.91 121.27 -160.91 -117.16 131.22 23.34 76.31 0.35 22.11 1.10 0.21 0.19 0.15 0.00 75.09 1.15 7 I E E 41.21 19.59 12.77 31.88 110.73 -135.04 -87.49 120.05 19.25 80.43 0.32 18.79 0.59 0.14 0.21 0.12 0.00 78.36 1.78 8 K E E 114.93 4.83 19.40 25.29 99.68 176.99 -89.78 -34.10 29.21 70.26 0.53 19.06 7.44 3.15 0.13 0.40 0.00 69.24 0.58 9 N E E 93.17 3.88 20.19 24.92 133.87 2.19 -151.87 144.33 48.51 50.95 0.55 24.10 19.02 6.39 0.08 0.50 0.00 49.29 0.62 10 A C C 35.36 19.74 10.15 27.89 131.77 169.59 -140.43 147.95 61.07 38.23 0.70 48.05 8.88 3.30 0.16 0.60 0.00 37.52 1.51 11 D C C 118.79 1.34 20.83 20.74 100.69 -158.49 -101.03 28.51 83.88 15.71 0.41 41.77 37.10 5.27 0.08 0.38 0.00 14.32 1.07 12 M C S 37.72 17.40 8.39 24.88 126.68 105.73 -95.40 156.32 93.96 5.85 0.19 40.77 53.26 0.81 0.07 0.11 0.00 3.93 1.05 13 S C C 60.24 2.38 18.38 20.07 117.70 -100.20 -67.92 158.95 98.95 0.75 0.30 98.17 0.86 0.15 0.20 0.04 0.00 0.35 0.23 14 E H H 132.65 4.30 12.93 19.34 91.29 -107.55 -58.12 -38.55 2.25 0.01 97.74 0.47 0.38 1.16 97.44 0.54 0.00 0.00 0.00 15 E H H 132.85 1.47 18.16 18.76 91.55 53.04 -64.09 -40.14 1.46 0.01 98.54 0.25 0.15 0.90 97.98 0.71 0.00 0.00 0.00 16 M H H 47.60 12.76 16.24 29.67 92.14 47.95 -66.44 -39.84 0.82 0.01 99.18 0.22 0.08 0.42 98.53 0.74 0.00 0.00 0.00 17 Q H H 33.94 18.19 15.75 33.51 91.61 52.72 -62.56 -42.50 0.52 0.00 99.48 0.15 0.05 0.22 99.43 0.15 0.00 0.00 0.00 18 Q H H 94.60 4.22 23.99 28.17 91.47 50.26 -63.73 -41.51 0.37 0.00 99.63 0.08 0.03 0.17 99.70 0.03 0.00 0.00 0.00 19 D H H 60.15 6.43 24.66 31.48 91.44 49.58 -64.35 -41.40 0.23 0.00 99.77 0.03 0.01 0.11 99.82 0.02 0.00 0.00 0.00 20 S H H 2.78 24.43 19.64 44.06 91.52 50.50 -63.76 -43.15 0.18 0.00 99.82 0.02 0.01 0.09 99.87 0.01 0.00 0.00 0.00 21 V H H 21.79 18.38 23.45 41.06 91.18 49.86 -63.46 -42.66 0.08 0.00 99.92 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 22 E H H 105.88 2.99 28.52 31.28 91.16 50.21 -63.25 -42.29 0.08 0.00 99.92 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 23 C H H 17.35 14.22 24.31 39.10 91.38 49.45 -63.64 -43.05 0.09 0.00 99.91 0.01 0.00 0.06 99.93 0.01 0.00 0.00 0.00 24 A H H 1.21 26.73 20.08 47.20 91.36 50.03 -63.59 -43.11 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 25 T H H 42.52 12.10 24.74 36.80 91.50 50.53 -63.47 -42.19 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 26 Q H H 90.42 3.11 27.18 29.56 91.36 49.64 -63.81 -42.05 0.26 0.00 99.74 0.01 0.01 0.19 99.73 0.06 0.00 0.00 0.00 27 A H H 6.94 17.24 18.24 36.64 91.34 50.61 -63.53 -42.11 0.68 0.00 99.32 0.04 0.03 0.50 99.16 0.28 0.00 0.00 0.00 28 L H H 20.59 20.80 15.38 35.80 91.44 52.90 -64.57 -35.32 2.35 0.00 97.65 0.15 0.10 1.89 94.17 3.69 0.00 0.00 0.00 29 E H H 131.85 2.78 20.50 23.72 91.69 53.19 -68.66 -30.30 12.58 0.01 87.41 0.26 0.36 12.44 83.26 3.67 0.01 0.00 0.00 30 K H H 131.29 2.98 18.77 21.96 95.62 45.73 -83.27 -24.32 25.86 0.03 74.11 0.70 1.30 23.96 71.73 2.27 0.02 0.01 0.02 31 Y C C 53.72 15.72 10.52 26.08 123.14 47.50 -124.22 134.05 86.79 0.46 12.75 66.39 9.75 8.85 13.37 1.05 0.00 0.13 0.46 32 N C C 118.08 3.78 17.70 22.76 99.02 -170.38 -92.93 -3.70 99.40 0.30 0.30 58.13 38.17 3.12 0.14 0.13 0.00 0.10 0.21 33 I C S 81.74 4.49 19.40 24.65 122.30 83.09 -109.13 141.01 97.92 1.41 0.68 32.33 65.04 0.44 0.60 0.08 0.00 0.21 1.31 34 E H H 72.39 16.85 13.42 29.55 92.63 -129.06 -60.36 -39.48 2.50 0.01 97.49 0.55 0.54 1.32 96.68 0.91 0.00 0.00 0.00 35 K H H 130.67 3.85 19.82 24.86 91.33 54.53 -63.36 -39.77 1.23 0.00 98.76 0.16 0.11 0.83 97.66 1.24 0.00 0.00 0.00 36 D H H 69.95 4.34 22.46 26.74 92.01 49.06 -66.51 -38.67 0.57 0.00 99.43 0.11 0.04 0.34 98.13 1.38 0.00 0.00 0.00 37 I H H 7.04 21.34 17.60 39.42 91.55 50.70 -63.27 -43.90 0.23 0.00 99.77 0.04 0.02 0.13 99.59 0.23 0.00 0.00 0.00 38 A H H 7.81 19.89 19.90 39.96 91.01 50.54 -62.60 -42.66 0.18 0.00 99.82 0.02 0.01 0.12 99.78 0.08 0.00 0.00 0.00 39 A H H 48.07 3.84 25.71 29.34 91.12 51.29 -63.06 -41.92 0.16 0.00 99.84 0.01 0.00 0.12 99.82 0.05 0.00 0.00 0.00 40 H H H 61.33 8.60 24.32 33.53 91.75 49.71 -64.60 -42.28 0.15 0.00 99.85 0.01 0.00 0.11 99.83 0.05 0.00 0.00 0.00 41 I H H 2.64 25.71 18.10 44.24 91.54 49.66 -63.41 -43.66 0.13 0.00 99.87 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 42 K H H 71.74 15.61 21.01 35.38 91.65 51.57 -61.78 -42.90 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 43 K H H 122.18 2.13 24.59 25.34 91.80 49.26 -64.34 -41.78 0.24 0.00 99.76 0.01 0.01 0.17 99.75 0.05 0.00 0.00 0.00 44 E H H 57.44 8.35 20.72 30.10 92.08 47.86 -65.78 -42.01 0.69 0.00 99.31 0.04 0.03 0.51 99.33 0.10 0.00 0.00 0.00 45 F H H 10.02 21.38 13.81 35.42 91.99 49.32 -65.28 -41.94 1.39 0.00 98.60 0.14 0.11 0.96 98.47 0.32 0.00 0.00 0.00 46 D H H 61.90 10.05 15.34 26.27 91.81 53.52 -65.25 -35.12 2.23 0.00 97.77 0.25 0.12 1.63 96.96 1.03 0.00 0.00 0.00 47 K H H 151.96 1.25 18.10 18.32 92.89 51.49 -70.57 -33.30 5.53 0.00 94.46 0.17 0.24 5.15 92.95 1.48 0.00 0.00 0.00 48 K H H 112.39 5.47 16.07 22.60 99.17 38.61 -87.72 -34.96 8.95 0.01 91.04 0.27 0.61 8.06 90.11 0.93 0.01 0.00 0.01 49 Y H H 72.65 13.58 12.00 25.66 111.07 24.09 -114.79 -14.31 25.48 0.25 74.27 3.92 10.28 12.50 72.16 0.78 0.06 0.05 0.24 50 N C C 86.32 4.53 17.96 23.02 114.60 -82.04 -93.16 130.54 99.52 0.27 0.21 92.31 5.58 1.66 0.05 0.15 0.00 0.13 0.12 51 P C T 81.20 8.90 14.16 23.94 94.04 -102.37 -66.11 -16.86 99.52 0.18 0.30 4.86 29.35 65.28 0.02 0.34 0.00 0.11 0.04 52 T C T 80.55 5.08 19.58 25.24 95.77 63.79 -88.54 -1.73 97.46 2.21 0.34 16.13 16.87 64.33 0.03 0.40 0.00 2.01 0.22 53 W C C 33.31 19.29 13.39 32.82 117.64 115.32 -78.55 140.47 70.11 29.84 0.04 62.15 6.75 0.21 0.00 0.05 0.00 30.23 0.59 54 H E E 68.72 11.02 25.40 36.46 124.19 -161.49 -114.38 139.33 12.61 87.37 0.02 11.64 0.62 0.03 0.00 0.01 0.00 87.36 0.33 55 C E E 9.07 24.02 18.48 42.40 125.00 -162.39 -120.30 136.78 1.84 98.15 0.01 1.66 0.08 0.01 0.00 0.00 0.00 98.18 0.07 56 I E E 34.54 13.26 25.63 39.32 119.42 -164.40 -114.50 127.02 0.92 99.07 0.01 0.86 0.03 0.00 0.00 0.00 0.00 99.01 0.09 57 V E E 24.24 19.28 19.33 38.32 121.21 -164.53 -113.70 130.38 6.24 93.72 0.04 5.54 0.39 0.05 0.01 0.02 0.00 93.72 0.26 58 G C E 19.68 12.22 19.34 31.95 138.16 113.93 -149.44 173.13 49.93 48.86 1.21 29.52 18.55 4.06 0.19 1.04 0.01 45.31 1.32 59 R C S 150.92 5.60 17.67 24.35 99.64 -96.43 -81.86 -23.98 80.44 12.28 7.29 13.30 41.21 27.18 0.75 5.98 0.04 9.61 1.93 60 N C S 112.19 2.87 17.48 20.86 112.09 32.56 -110.22 79.91 84.64 5.68 9.68 18.37 34.69 32.33 1.00 8.40 0.01 3.76 1.44 61 F C C 91.30 13.56 11.03 24.30 115.50 98.30 -100.56 130.60 73.68 13.24 13.08 27.07 21.90 26.60 2.46 10.06 0.09 8.48 3.33 62 G C C 44.96 5.74 15.66 22.85 121.46 -152.80 -131.60 154.61 75.59 15.93 8.48 34.61 18.41 24.33 1.79 6.48 0.04 12.06 2.28 63 S C C 60.67 10.69 12.66 23.96 124.99 -169.48 -125.69 145.94 65.33 21.56 13.11 40.51 14.65 11.59 3.08 9.86 0.05 17.90 2.36 64 Y C C 152.68 4.70 15.41 21.85 122.91 -165.19 -122.46 137.17 55.15 33.25 11.60 33.88 13.58 9.76 4.15 7.36 0.09 27.45 3.73 65 V C C 63.55 13.31 11.42 24.95 122.08 -168.19 -117.98 132.67 59.08 36.45 4.47 46.40 9.25 2.93 2.58 2.15 0.02 32.40 4.26 66 T C C 89.49 4.87 15.62 21.97 115.89 -167.44 -111.37 128.20 69.03 28.81 2.16 57.10 8.31 2.65 1.04 1.19 0.00 26.81 2.90 67 H C C 87.40 10.70 11.73 23.21 123.42 -170.67 -119.03 140.04 74.31 23.37 2.32 56.41 13.09 4.34 0.95 1.55 0.00 19.55 4.11 68 E C C 125.07 4.44 15.32 21.15 110.07 -140.51 -88.19 112.86 87.29 10.97 1.75 58.86 22.33 6.27 0.48 1.32 0.00 8.95 1.79 69 T C C 56.74 10.62 12.80 24.21 120.59 96.71 -103.80 146.50 92.04 5.45 2.51 43.41 36.13 12.90 0.40 2.20 0.00 3.86 1.08 70 K C S 127.04 6.10 17.60 24.45 99.93 -125.92 -78.44 -5.69 91.63 6.65 1.71 25.10 53.14 13.45 0.16 1.65 0.00 5.75 0.76 71 H C C 68.11 12.41 16.84 29.59 111.28 62.26 -107.84 91.69 65.92 32.84 1.23 39.80 18.94 7.01 0.11 1.25 0.00 32.03 0.86 72 F E E 43.64 17.15 17.35 34.33 127.48 91.73 -122.45 142.91 18.03 81.92 0.06 15.80 1.62 0.20 0.01 0.04 0.00 81.95 0.38 73 I E E 23.52 17.50 20.86 38.71 121.92 -161.11 -115.87 131.92 1.83 98.16 0.00 1.73 0.07 0.01 0.00 0.00 0.00 98.14 0.04 74 Y E E 65.39 14.42 22.55 36.92 121.46 -160.70 -112.68 131.80 0.36 99.64 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.01 75 F E E 27.66 18.39 19.36 37.91 129.00 -175.27 -127.81 143.02 0.17 99.83 0.00 0.16 0.01 0.00 0.00 0.00 0.00 99.83 0.00 76 Y E E 92.04 10.89 20.48 32.00 118.68 -153.39 -110.14 127.92 0.57 99.43 0.00 0.53 0.03 0.00 0.00 0.00 0.00 99.42 0.02 77 L E E 38.15 15.93 15.44 31.57 112.15 -177.14 -126.07 101.42 9.71 90.24 0.05 7.34 1.59 0.33 0.01 0.04 0.00 90.50 0.19 78 G C T 45.72 3.52 18.67 22.71 110.67 -58.62 61.69 -129.73 99.17 0.56 0.27 0.79 14.10 84.35 0.01 0.28 0.00 0.42 0.06 79 Q C T 113.46 6.79 17.90 25.61 96.40 -17.13 -92.62 0.45 99.57 0.23 0.19 0.70 12.70 86.20 0.00 0.20 0.00 0.17 0.03 80 V E E 23.24 18.05 16.97 35.35 121.64 92.11 -105.27 135.12 5.97 94.00 0.03 4.13 1.32 0.17 0.00 0.02 0.00 94.23 0.12 81 A E E 13.74 16.94 22.81 40.09 121.14 -159.84 -111.30 132.91 0.38 99.62 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.01 82 I E E 6.82 23.00 23.68 46.53 120.67 -165.26 -117.29 127.82 0.10 99.90 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 83 L E E 12.18 19.60 27.13 46.37 116.15 -157.63 -104.47 124.82 0.09 99.91 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 84 L E E 6.49 23.65 24.51 47.75 118.95 -164.86 -111.17 127.43 0.27 99.73 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 85 F E E 21.23 18.59 23.77 41.93 129.40 -173.07 -124.47 145.32 0.95 99.05 0.00 0.84 0.04 0.00 0.00 0.00 0.00 99.09 0.03 86 K E E 63.28 14.86 20.43 34.94 121.30 -150.72 -107.17 137.27 14.83 85.14 0.02 13.49 0.84 0.09 0.00 0.02 0.00 85.02 0.54 87 S C C 41.92 13.49 15.68 29.11 117.61 -159.00 -105.89 150.25 83.24 16.71 0.05 81.26 0.76 0.40 0.01 0.03 0.00 17.06 0.47 88 G C C 49.15 4.50 18.55 23.62 107.56 -38.18 80.64 -3.07 99.92 0.08 0.01 99.68 0.19 0.08 0.00 0.00 0.00 0.05 0.00