# 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 G C C 42.85 5.93 14.34 21.55 122.58 -136.99 98.09 -156.66 99.93 0.07 0.01 99.87 0.06 0.03 0.00 0.00 0.00 0.03 0.01 1 S C C 81.23 3.70 12.03 17.39 112.40 -96.29 -96.34 130.35 88.88 4.80 6.33 80.59 1.92 7.11 2.34 3.06 0.00 3.65 1.32 2 F C C 127.52 6.51 10.20 18.19 112.44 -162.11 -96.11 123.43 77.76 14.09 8.16 49.96 15.37 12.93 2.80 5.21 0.02 11.06 2.65 3 T C C 88.41 4.88 12.50 19.10 115.14 -166.79 -100.66 126.53 72.12 19.10 8.78 51.33 11.84 8.80 3.34 5.35 0.01 16.17 3.14 4 M C C 98.61 9.47 11.06 21.36 113.87 -160.74 -97.08 124.38 70.78 20.07 9.15 47.80 12.61 10.68 4.12 4.95 0.03 16.60 3.21 5 G C C 44.03 6.07 14.53 21.70 115.87 -160.41 -104.15 158.73 74.17 18.29 7.54 42.26 18.91 14.11 2.69 4.53 0.02 15.31 2.17 6 R C C 144.90 5.22 14.58 21.22 113.87 -99.41 -96.16 126.74 66.54 25.23 8.24 45.27 13.60 8.27 3.48 4.80 0.05 20.49 4.04 7 L C C 79.63 11.49 11.96 23.89 113.45 -143.90 -92.36 124.31 66.44 26.39 7.17 48.31 11.33 6.31 3.53 3.94 0.03 21.49 5.06 8 Y C C 131.90 6.79 14.00 22.08 114.55 -163.72 -103.18 128.67 71.46 22.23 6.31 47.61 14.19 9.82 2.71 3.66 0.02 18.19 3.80 9 S C C 75.69 5.02 14.48 20.80 111.60 -133.18 -93.45 123.99 78.79 15.00 6.21 38.54 22.77 19.08 2.18 3.61 0.03 11.40 2.39 10 G C S 41.17 7.31 13.88 22.18 117.87 108.94 -100.21 -158.64 84.32 10.35 5.33 32.18 40.95 12.08 2.39 2.63 0.03 7.32 2.43 11 N C C 86.85 4.54 17.26 22.36 114.44 -53.45 -90.68 138.45 84.87 10.25 4.88 72.14 10.54 1.75 4.43 1.06 0.00 4.78 5.30 12 L H H 71.56 13.94 12.96 26.61 94.19 -131.27 -62.75 -35.57 5.23 0.08 94.70 1.87 0.99 2.48 93.05 1.53 0.01 0.04 0.03 13 A H H 72.26 2.11 19.06 20.61 92.11 55.70 -64.71 -39.28 2.54 0.03 97.44 0.50 0.27 1.66 95.56 1.98 0.01 0.01 0.01 14 A H H 44.47 5.77 18.02 24.98 92.29 51.07 -65.90 -39.18 1.53 0.02 98.45 0.39 0.16 0.93 96.01 2.49 0.00 0.01 0.00 15 F H H 22.70 20.49 14.00 33.96 92.15 52.38 -65.04 -41.03 0.70 0.00 99.29 0.20 0.07 0.37 98.73 0.63 0.00 0.00 0.00 16 K H H 103.11 7.94 20.42 28.97 91.71 53.14 -62.71 -41.57 0.32 0.00 99.68 0.06 0.02 0.18 99.59 0.15 0.00 0.00 0.00 17 A H H 62.05 2.16 23.75 24.11 91.64 50.12 -64.15 -41.55 0.34 0.00 99.66 0.05 0.02 0.22 99.57 0.14 0.00 0.00 0.00 18 A H H 14.67 15.08 18.59 34.47 92.00 50.24 -64.89 -42.23 0.61 0.00 99.39 0.07 0.03 0.41 99.29 0.18 0.00 0.00 0.00 19 T H H 19.08 18.95 17.47 36.07 91.76 51.19 -63.21 -42.30 0.95 0.00 99.05 0.12 0.07 0.61 99.03 0.17 0.00 0.00 0.00 20 N H H 86.84 2.81 22.77 24.76 91.43 51.24 -63.44 -40.73 1.41 0.00 98.59 0.26 0.10 0.86 98.32 0.46 0.00 0.00 0.00 21 K H H 95.62 5.18 20.70 26.21 91.93 50.64 -65.12 -40.45 1.93 0.01 98.06 0.22 0.12 1.40 97.19 1.06 0.00 0.00 0.00 22 L H H 12.36 21.24 13.52 34.58 92.18 50.03 -66.07 -40.92 2.27 0.02 97.71 0.36 0.19 1.56 96.31 1.56 0.00 0.01 0.00 23 F H H 105.55 9.62 16.64 26.73 92.48 51.50 -64.99 -38.00 6.44 0.07 93.49 1.14 0.57 4.59 91.51 2.10 0.01 0.04 0.03 24 Q H H 139.05 1.18 18.84 18.74 91.42 55.02 -67.50 -24.58 23.35 0.12 76.53 1.45 1.34 20.44 74.70 1.90 0.03 0.06 0.06 25 L C T 67.73 9.73 13.88 24.80 97.20 53.30 -91.97 2.25 84.94 0.24 14.82 1.92 7.21 74.64 13.95 1.97 0.01 0.11 0.19 26 D C T 102.71 3.70 20.61 24.64 95.47 -109.83 64.31 31.83 99.24 0.27 0.49 5.61 6.61 87.20 0.18 0.16 0.00 0.18 0.04 27 L C C 19.90 21.16 11.39 32.08 122.54 141.79 -97.03 143.85 70.71 29.19 0.11 64.76 3.79 0.32 0.02 0.07 0.00 30.50 0.54 28 A E E 43.34 7.60 24.22 32.26 117.04 -135.96 -97.54 132.84 19.81 80.13 0.06 17.67 1.23 0.13 0.01 0.03 0.00 80.70 0.22 29 V E E 28.63 21.34 15.34 36.10 120.49 -158.43 -112.69 128.49 2.96 97.03 0.00 2.70 0.11 0.01 0.00 0.00 0.00 97.14 0.04 30 I E E 57.82 9.36 22.41 32.56 120.18 -168.13 -114.81 129.70 0.59 99.41 0.00 0.50 0.02 0.00 0.00 0.00 0.00 99.47 0.01 31 Y E E 75.22 16.86 15.42 31.88 124.21 -167.35 -121.10 133.08 0.40 99.59 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.00 32 D E E 62.01 7.77 19.64 28.43 123.42 -172.41 -124.30 134.32 0.54 99.46 0.00 0.45 0.02 0.00 0.00 0.00 0.00 99.52 0.00 33 D E E 62.89 13.05 14.64 28.06 126.00 -167.68 -126.04 138.43 0.83 99.17 0.00 0.72 0.02 0.00 0.00 0.00 0.00 99.25 0.00 34 W E E 107.63 7.53 17.19 26.19 129.09 -174.66 -131.55 144.25 0.73 99.27 0.00 0.62 0.03 0.00 0.00 0.00 0.00 99.34 0.01 35 Y E E 119.62 7.66 13.29 22.70 121.31 -151.71 -112.37 133.96 1.51 98.49 0.00 1.34 0.07 0.00 0.00 0.00 0.00 98.51 0.07 36 D E E 46.87 7.67 10.39 20.51 110.58 -154.27 -102.25 114.04 19.61 80.36 0.03 18.33 0.60 0.07 0.01 0.02 0.00 80.69 0.28 37 A C T 84.45 2.23 10.64 14.65 94.12 -160.61 -66.46 -30.00 95.43 0.67 3.90 1.18 4.84 88.79 0.08 4.45 0.00 0.55 0.11 38 Y C T 192.24 0.58 11.52 11.05 95.03 50.28 -72.07 -36.96 95.96 0.24 3.79 0.65 3.58 91.11 0.07 4.37 0.00 0.15 0.08 39 T C T 80.33 3.13 10.81 15.26 99.03 29.00 -99.84 -6.73 97.00 0.12 2.89 1.06 3.48 91.85 0.06 3.44 0.00 0.07 0.04 40 R C T 166.21 2.85 12.56 17.14 94.47 -127.02 58.42 37.68 99.05 0.59 0.37 16.98 6.18 75.97 0.06 0.26 0.00 0.50 0.05 41 K E E 72.51 8.39 13.19 23.48 130.01 134.33 -124.12 153.04 19.45 80.53 0.03 17.00 1.29 0.16 0.00 0.02 0.00 81.23 0.31 42 D E E 56.02 9.50 17.40 28.21 116.19 -121.96 -91.74 134.40 0.92 99.08 0.00 0.82 0.04 0.00 0.00 0.00 0.00 99.11 0.03 43 C E E 14.67 15.90 17.42 34.38 133.31 -175.76 -132.91 154.42 0.26 99.74 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 44 I E E 16.15 17.97 19.44 38.26 120.89 -139.69 -112.35 132.39 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 45 R E E 48.00 12.94 23.82 37.37 118.23 -156.01 -107.29 129.20 0.18 99.82 0.00 0.15 0.01 0.00 0.00 0.00 0.00 99.85 0.00 46 L E E 6.23 22.97 19.01 42.56 120.23 -165.64 -113.24 130.47 0.10 99.90 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 47 R E E 46.99 11.80 25.93 38.49 120.68 -163.87 -113.44 131.44 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.95 0.00 48 I E E 7.13 22.30 18.71 41.86 118.74 -159.17 -109.50 127.36 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 49 E E E 38.35 10.34 21.34 33.20 128.36 -173.36 -124.10 147.58 0.27 99.73 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.71 0.04 50 D C C 30.53 11.84 15.10 28.31 123.36 -128.70 -81.19 174.19 58.11 41.83 0.05 57.00 0.68 0.09 0.01 0.03 0.00 41.52 0.67 51 R C T 151.87 6.98 13.78 22.26 91.23 -92.26 -64.14 -21.66 99.51 0.17 0.32 0.27 2.84 96.47 0.01 0.28 0.00 0.11 0.02 52 S C T 88.20 1.06 14.95 14.92 93.02 55.73 -88.02 -0.07 99.64 0.05 0.31 0.23 2.65 96.81 0.01 0.27 0.00 0.03 0.01 53 G C S 40.61 7.58 11.34 20.31 96.06 -105.27 85.45 6.80 99.53 0.27 0.20 29.33 69.30 0.95 0.03 0.16 0.00 0.11 0.12 54 N C C 95.55 2.48 16.09 19.44 115.80 141.15 -78.71 136.83 98.65 1.32 0.03 96.95 1.90 0.08 0.01 0.01 0.00 0.67 0.37 55 L E E 88.54 10.29 12.87 24.17 110.12 -115.84 -73.01 125.37 2.35 97.64 0.01 2.22 0.12 0.01 0.01 0.00 0.00 95.43 2.21 56 I E E 72.30 9.25 15.19 25.86 102.10 174.93 -99.26 -31.18 1.98 98.02 0.00 1.33 0.48 0.03 0.00 0.00 0.00 98.15 0.02 57 D E E 52.40 8.63 18.31 28.44 140.24 -0.54 -156.80 153.01 0.82 99.18 0.00 0.64 0.09 0.01 0.00 0.00 0.00 99.25 0.01 58 T E E 68.94 13.55 14.45 28.42 129.74 -170.28 -139.59 140.74 2.62 97.37 0.00 2.30 0.15 0.01 0.00 0.00 0.00 97.51 0.02 59 S E E 40.86 9.58 18.79 29.32 134.67 174.45 -138.69 154.36 3.08 96.92 0.00 2.65 0.18 0.01 0.00 0.00 0.00 97.13 0.03 60 T E E 68.77 10.36 18.41 29.49 123.95 -151.04 -117.03 138.35 3.38 96.62 0.00 3.16 0.11 0.00 0.00 0.00 0.00 96.63 0.10 61 F E E 34.60 17.52 13.81 31.53 125.12 -166.52 -119.05 141.08 8.17 91.80 0.02 8.00 0.25 0.03 0.01 0.01 0.00 90.72 0.99 62 Y E E 131.86 6.20 18.50 25.83 120.03 -167.90 -117.31 138.00 41.52 58.25 0.24 28.05 12.91 1.40 0.05 0.20 0.00 56.48 0.91 63 H C C 104.09 7.48 16.47 24.53 112.30 54.63 -102.29 116.64 72.62 25.33 2.06 34.98 31.37 7.79 0.45 1.49 0.01 22.17 1.75 64 H C C 106.65 8.90 13.69 23.39 107.81 -131.83 -94.98 55.37 91.28 5.74 2.99 59.02 25.10 7.56 1.01 1.92 0.00 4.25 1.13 65 D C C 68.24 6.20 15.87 23.26 113.30 110.54 -101.07 116.83 92.82 1.15 6.04 78.34 10.59 3.79 4.63 1.53 0.00 0.59 0.52 66 E H H 87.25 12.33 13.63 26.12 94.28 -147.33 -64.54 -35.12 13.07 0.07 86.86 4.51 3.49 5.22 85.31 1.41 0.01 0.02 0.03 67 D H H 92.30 3.64 18.09 22.28 92.61 55.78 -65.53 -39.65 4.70 0.03 95.27 1.19 0.70 2.75 94.13 1.20 0.01 0.02 0.01 68 V H H 57.15 6.44 17.94 25.60 92.57 49.36 -66.03 -41.46 1.46 0.02 98.52 0.47 0.19 0.76 97.60 0.97 0.00 0.01 0.00 69 L H H 32.80 15.95 16.34 32.46 92.24 50.72 -64.35 -42.27 0.80 0.01 99.19 0.26 0.09 0.39 98.77 0.48 0.00 0.01 0.00 70 F H H 69.81 11.77 18.98 31.01 92.20 49.63 -64.19 -41.86 0.85 0.01 99.14 0.24 0.10 0.45 99.00 0.20 0.00 0.00 0.00 71 N H H 84.16 3.39 22.61 25.47 92.03 49.53 -65.06 -41.48 0.69 0.00 99.30 0.17 0.06 0.36 99.29 0.10 0.00 0.00 0.00 72 M H H 61.91 9.01 21.00 30.55 92.33 48.56 -65.66 -41.43 0.49 0.00 99.51 0.10 0.04 0.26 99.53 0.07 0.00 0.00 0.00 73 C H H 16.38 18.26 18.34 36.64 92.15 50.25 -64.39 -42.34 0.43 0.00 99.57 0.07 0.03 0.24 99.61 0.05 0.00 0.00 0.00 74 T H H 47.98 9.12 20.85 30.53 91.95 50.35 -63.81 -42.12 0.34 0.00 99.66 0.06 0.02 0.18 99.70 0.04 0.00 0.00 0.00 75 D H H 78.95 2.83 23.68 25.51 91.85 50.08 -64.69 -41.72 0.29 0.00 99.71 0.04 0.02 0.17 99.73 0.04 0.00 0.00 0.00 76 W H H 60.17 12.01 19.98 32.61 91.95 49.36 -64.51 -42.74 0.34 0.00 99.66 0.04 0.02 0.21 99.68 0.06 0.00 0.00 0.00 77 L H H 27.70 17.39 17.66 35.11 91.99 49.90 -64.10 -41.44 0.39 0.00 99.61 0.05 0.02 0.24 99.62 0.07 0.00 0.00 0.00 78 N H H 78.40 4.98 20.80 26.05 91.65 51.10 -63.63 -40.54 0.82 0.00 99.18 0.10 0.05 0.55 99.15 0.15 0.00 0.00 0.00 79 H H H 100.90 3.32 20.92 23.97 92.13 49.99 -65.41 -41.11 1.50 0.00 98.49 0.15 0.09 1.12 98.30 0.33 0.00 0.00 0.00 80 M H H 43.13 12.86 17.12 30.69 92.26 49.34 -65.57 -41.74 1.88 0.01 98.11 0.27 0.14 1.27 97.74 0.57 0.00 0.00 0.00 81 Y H H 73.75 10.29 15.94 27.26 92.05 50.40 -63.54 -41.33 2.04 0.01 97.95 0.39 0.18 1.29 96.79 1.35 0.00 0.00 0.00 82 D H H 85.54 1.84 18.53 19.33 91.92 50.73 -64.95 -40.04 4.10 0.01 95.89 0.49 0.27 3.03 93.56 2.63 0.00 0.00 0.00 83 Q H H 89.38 4.36 15.57 20.95 92.32 51.22 -66.62 -37.00 7.92 0.02 92.06 0.67 0.48 6.40 89.43 3.00 0.01 0.01 0.01 84 L H H 54.31 11.66 10.57 22.97 93.72 53.44 -70.24 -30.14 15.39 0.11 84.49 3.59 1.96 9.80 80.26 4.27 0.02 0.05 0.06 85 K H H 141.13 2.56 13.18 16.88 93.29 63.23 -68.81 -27.06 36.40 0.45 63.15 7.20 4.11 25.15 57.89 5.13 0.05 0.21 0.25 86 D C T 113.67 1.24 11.92 13.17 98.04 52.90 -87.60 -3.44 56.65 0.70 42.65 11.92 5.60 38.67 37.90 5.18 0.03 0.32 0.38 87 W C C 137.75 7.16 6.92 15.23 109.14 102.47 -84.41 106.42 80.47 1.10 18.43 65.16 1.52 13.53 16.29 2.34 0.00 0.55 0.61 88 K C C 156.66 1.89 13.01 16.00 111.03 -161.67 -93.39 116.27 99.93 0.05 0.02 99.87 0.05 0.04 0.01 0.00 0.00 0.02 0.00