# 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 96.05 7.54 10.92 19.82 117.72 -159.06 -93.40 140.77 99.72 0.18 0.10 99.55 0.16 0.10 0.06 0.01 0.00 0.09 0.04 1 S C C 61.91 3.52 11.33 16.21 114.08 -117.58 -78.43 151.63 77.57 3.05 19.38 72.47 1.44 3.89 17.55 1.75 0.00 1.33 1.57 2 A H H 76.26 3.13 9.61 14.33 94.84 -119.24 -63.95 -33.61 26.88 1.32 71.80 13.16 6.44 9.94 59.76 9.38 0.08 0.76 0.47 3 L H H 114.98 2.02 10.64 13.75 93.10 54.79 -67.31 -34.85 17.76 1.16 81.08 6.55 3.36 8.35 64.06 16.46 0.08 0.86 0.28 4 T H H 82.31 3.10 11.06 15.52 94.03 52.38 -71.85 -31.50 16.61 1.87 81.51 6.30 2.96 7.63 62.82 18.33 0.08 1.51 0.36 5 R H H 142.21 3.19 11.71 16.23 95.34 51.90 -74.98 -28.33 23.51 2.92 73.57 8.12 4.27 11.87 57.62 15.03 0.19 2.22 0.69 6 L H H 99.01 3.50 12.08 16.78 98.06 51.57 -79.20 -22.15 34.60 4.24 61.16 13.85 7.88 15.50 50.61 7.80 0.30 2.75 1.32 7 V H H 82.09 4.51 12.22 18.20 98.49 78.77 -68.81 -38.55 42.45 3.52 54.03 23.06 11.03 10.04 45.90 6.76 0.07 2.28 0.87 8 P H H 79.38 4.31 13.01 18.68 96.36 51.13 -68.99 -30.99 42.58 3.54 53.88 26.86 5.59 10.85 45.18 8.12 0.04 2.55 0.81 9 F H H 132.31 3.63 13.17 18.04 96.05 60.08 -71.44 -30.09 31.13 4.85 64.02 16.52 6.03 10.39 50.16 12.03 0.16 3.56 1.16 10 G H H 45.98 3.82 13.79 18.72 97.11 51.19 -67.54 -25.83 34.34 5.93 59.74 19.04 6.47 10.69 48.51 9.36 0.17 4.44 1.31 11 R H H 141.42 3.86 13.57 18.69 98.90 57.11 -79.71 -20.61 34.01 7.66 58.33 20.03 6.78 9.66 48.42 7.51 0.17 5.92 1.52 12 V H H 85.00 4.78 13.44 19.44 99.95 59.81 -76.45 -38.21 29.88 6.04 64.09 17.89 6.01 8.74 56.16 5.19 0.13 4.62 1.25 13 G H H 41.42 4.11 14.54 19.72 98.46 51.07 -63.36 -39.85 30.12 3.04 66.84 15.23 5.69 11.35 58.75 5.87 0.11 2.28 0.73 14 G H H 40.68 4.38 14.34 19.96 95.92 51.89 -65.14 -38.73 26.70 2.42 70.87 13.14 5.22 10.51 61.33 7.27 0.12 1.79 0.62 15 R H H 137.94 4.05 14.49 19.64 95.78 53.57 -70.88 -34.17 20.67 3.59 75.74 11.87 3.96 6.98 65.16 8.24 0.09 3.02 0.69 16 L H H 97.58 4.58 14.06 19.81 96.26 52.90 -70.94 -36.91 17.90 4.90 77.20 10.55 3.32 5.97 67.72 7.18 0.10 4.44 0.73 17 L H H 99.79 3.76 14.52 19.28 98.20 50.31 -73.75 -31.20 19.44 4.60 75.96 11.22 3.54 6.73 67.66 5.95 0.11 4.04 0.75 18 R H H 138.79 3.43 14.66 19.10 95.69 51.23 -70.99 -34.75 22.54 2.32 75.14 11.62 4.25 8.93 68.32 4.49 0.09 1.76 0.55 19 G H H 34.51 5.54 13.71 20.70 95.86 51.13 -65.62 -40.53 25.08 1.14 73.78 12.79 4.61 9.78 67.80 3.90 0.05 0.71 0.36 20 C H H 73.71 4.08 13.94 19.22 94.01 51.59 -66.90 -39.08 18.37 0.85 80.77 9.18 3.71 7.55 73.71 4.97 0.06 0.54 0.27 21 R H H 151.92 2.22 14.45 17.25 93.63 52.10 -67.98 -37.64 16.53 1.05 82.43 8.29 3.16 7.04 74.78 5.64 0.07 0.73 0.29 22 A H H 63.23 3.95 12.51 17.88 95.02 52.59 -69.51 -35.94 17.67 1.44 80.89 9.43 3.36 6.99 72.61 6.12 0.07 1.04 0.38 23 R H H 149.48 3.38 12.45 17.15 96.51 54.14 -72.75 -32.29 21.58 1.95 76.47 10.93 4.26 8.89 68.33 5.55 0.11 1.34 0.57 24 A H H 75.81 2.92 11.96 16.03 99.80 54.27 -77.73 -19.35 31.87 1.78 66.35 14.66 6.07 13.77 58.84 4.87 0.11 1.00 0.67 25 A C H 81.53 2.72 10.80 14.96 103.87 66.28 -78.84 48.20 54.68 1.65 43.67 17.57 9.84 28.66 37.36 4.88 0.11 0.79 0.80 26 G C T 56.85 2.60 11.22 14.87 105.56 27.10 80.57 4.29 77.35 1.74 20.91 27.27 14.90 36.18 15.10 4.84 0.03 0.81 0.87 27 D C C 111.31 2.62 9.92 14.28 108.31 139.03 -90.19 100.40 85.49 3.36 11.15 45.38 20.98 19.72 5.67 5.03 0.01 1.80 1.42 28 S C C 86.76 2.33 9.83 13.78 113.78 143.31 -98.97 130.56 86.39 7.02 6.59 49.79 21.24 15.76 2.44 3.98 0.00 5.09 1.71 29 G C C 50.98 3.15 10.31 15.28 120.85 -151.81 -126.80 170.55 77.51 18.79 3.70 50.30 19.23 8.14 1.33 2.47 0.01 15.82 2.70 30 V C C 109.51 3.31 9.60 14.86 117.55 -97.18 -100.53 133.64 60.55 37.24 2.21 48.70 8.23 2.04 1.27 1.23 0.01 31.76 6.76 31 R C C 150.87 3.74 9.25 15.15 117.20 -152.76 -101.89 132.84 53.17 44.64 2.19 43.69 5.66 1.73 1.37 1.14 0.01 38.01 8.39 32 H C C 141.28 2.97 9.20 14.04 111.81 -141.86 -89.73 127.22 62.08 34.37 3.55 48.52 8.31 4.12 1.59 2.20 0.01 29.68 5.55 33 A C T 88.48 2.18 8.31 12.08 107.66 -152.05 -87.87 87.07 80.88 10.88 8.24 29.74 18.92 33.58 1.50 6.42 0.02 7.51 2.32 34 G C T 60.66 1.37 9.26 11.59 110.27 18.43 -79.79 30.45 87.25 4.24 8.50 19.58 25.15 42.76 1.05 7.52 0.00 2.54 1.40 35 G C S 57.78 1.91 9.19 12.50 110.17 6.78 -108.68 96.34 89.21 4.29 6.50 28.54 36.31 24.36 0.76 6.07 0.00 2.39 1.56 36 G C C 50.71 2.56 9.26 13.46 121.11 98.55 -116.31 172.79 85.88 10.08 4.05 42.49 30.85 13.10 0.78 3.57 0.00 6.44 2.77 37 V C C 116.55 2.23 8.86 12.60 110.98 -76.94 -91.13 127.33 75.86 18.75 5.38 43.66 19.73 13.18 1.35 4.33 0.03 12.93 4.80 38 H C C 140.95 2.72 8.20 12.66 111.19 -156.16 -92.48 121.08 74.87 20.29 4.84 45.03 18.42 11.81 1.41 3.71 0.02 14.54 5.06 39 I C C 118.32 3.08 8.36 13.29 114.47 -155.28 -100.06 127.62 79.54 17.59 2.87 51.18 22.59 5.85 1.03 2.02 0.01 12.34 5.00 40 Q C C 132.27 1.95 9.92 13.34 116.99 -136.66 -96.28 134.74 87.88 11.20 0.92 61.77 24.33 2.15 0.33 0.63 0.00 8.39 2.41 41 P C C 95.72 3.80 8.36 14.13 113.28 -107.97 -70.14 142.54 86.29 8.67 5.04 59.14 15.60 11.46 1.30 3.95 0.00 6.42 2.13 42 R C C 153.49 3.01 8.66 13.62 116.12 -161.39 -105.06 132.94 78.36 15.18 6.46 56.13 11.35 9.88 2.14 4.61 0.01 8.98 6.90 43 Y C C 168.74 2.70 7.94 12.33 105.93 -148.88 -86.07 41.85 74.71 12.38 12.91 36.86 18.61 20.36 2.87 9.62 0.05 6.86 4.77 44 R C C 164.69 2.25 8.63 12.36 110.63 49.75 -99.67 104.10 83.06 6.52 10.43 31.16 29.05 23.77 1.93 8.08 0.02 3.53 2.46 45 E C C 147.88 1.49 10.40 12.88 114.70 -112.29 -98.44 129.56 87.84 5.07 7.09 47.61 29.72 10.33 1.46 5.73 0.00 2.36 2.80 46 F C C 133.23 4.93 7.61 14.51 116.89 -120.30 -86.48 138.72 97.20 2.15 0.65 75.96 20.24 1.07 0.25 0.36 0.00 0.95 1.17 47 P C C 86.39 3.76 9.90 15.54 114.79 -106.11 -68.95 148.86 98.21 1.02 0.77 92.09 4.79 1.47 0.25 0.41 0.00 0.52 0.46 48 Q C C 147.98 1.33 11.78 14.08 113.21 -110.70 -80.47 134.13 97.10 2.21 0.69 92.07 4.01 0.90 0.35 0.27 0.00 0.79 1.60 49 L C C 73.95 10.91 6.60 17.68 115.70 -123.64 -82.90 140.14 98.44 1.26 0.30 95.56 2.77 0.18 0.20 0.07 0.00 0.43 0.79 50 T C C 78.65 1.90 13.94 15.79 119.18 -117.70 -76.30 160.74 98.24 1.34 0.42 97.42 0.91 0.16 0.26 0.06 0.00 0.34 0.86 51 R H H 170.65 2.16 10.80 14.63 91.72 -109.14 -58.39 -37.90 1.96 0.01 98.04 0.45 0.33 1.00 97.85 0.36 0.00 0.00 0.00 52 S H H 76.67 1.31 13.53 14.36 92.05 54.38 -64.60 -39.41 0.80 0.00 99.20 0.12 0.07 0.49 98.95 0.37 0.00 0.00 0.00 53 Q H H 76.88 5.54 13.54 20.73 92.19 49.39 -66.29 -39.95 0.21 0.00 99.79 0.03 0.02 0.12 99.58 0.25 0.00 0.00 0.00 54 V H H 51.89 9.33 13.18 23.87 91.81 51.03 -63.86 -42.61 0.09 0.00 99.91 0.01 0.01 0.05 99.89 0.05 0.00 0.00 0.00 55 I H H 89.99 2.83 17.53 20.38 91.80 49.39 -64.11 -42.42 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 56 Q H H 96.21 2.39 18.59 20.44 91.73 49.43 -64.51 -41.46 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 57 G H H 19.93 8.13 15.03 25.14 91.71 50.93 -63.83 -41.93 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 58 E H H 86.85 6.57 17.27 24.82 91.87 50.31 -64.64 -41.30 0.11 0.00 99.89 0.00 0.00 0.08 99.90 0.02 0.00 0.00 0.00 59 F H H 118.77 2.18 19.03 20.33 91.92 49.68 -64.51 -42.48 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 60 L H H 87.01 3.00 18.66 21.53 91.89 49.12 -64.68 -42.01 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.01 0.00 0.00 0.00 61 S H H 39.66 7.56 15.70 24.71 91.93 50.59 -64.46 -41.42 0.18 0.00 99.82 0.01 0.01 0.13 99.83 0.02 0.00 0.00 0.00 62 S H H 52.91 3.71 17.15 21.50 91.72 50.90 -64.30 -41.51 0.16 0.00 99.84 0.01 0.01 0.12 99.85 0.02 0.00 0.00 0.00 63 L H H 92.45 2.13 18.22 19.55 91.79 50.03 -64.49 -41.72 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 64 M H H 83.77 4.67 16.39 22.05 92.00 50.17 -64.66 -41.30 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 65 W H H 120.78 5.33 16.03 22.41 91.84 50.26 -64.61 -41.28 0.07 0.00 99.93 0.00 0.00 0.06 99.93 0.01 0.00 0.00 0.00 66 F H H 113.51 2.38 17.33 19.42 91.80 50.48 -64.41 -41.80 0.09 0.00 99.91 0.00 0.00 0.07 99.91 0.01 0.00 0.00 0.00 67 W H H 127.31 3.22 17.07 20.65 91.85 49.81 -64.50 -42.06 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 68 I H H 65.10 7.12 15.20 23.75 91.86 49.76 -64.19 -42.38 0.08 0.00 99.92 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 69 L H H 80.81 3.91 16.62 21.37 91.68 50.12 -63.99 -41.51 0.21 0.00 99.79 0.00 0.01 0.19 99.74 0.06 0.00 0.00 0.00 70 W H H 132.42 2.35 17.27 19.30 91.59 49.85 -64.57 -41.53 0.36 0.00 99.64 0.01 0.01 0.30 99.55 0.12 0.00 0.00 0.00 71 R H H 84.57 6.49 14.50 22.62 92.03 50.51 -65.35 -39.65 0.45 0.00 99.55 0.02 0.02 0.39 99.23 0.34 0.00 0.00 0.00 72 F H H 85.64 7.72 12.81 22.07 92.06 51.30 -66.50 -37.75 0.74 0.00 99.26 0.03 0.03 0.66 98.65 0.64 0.00 0.00 0.00 73 W H H 165.98 2.32 15.20 17.65 94.53 46.50 -74.52 -36.16 2.71 0.00 97.29 0.07 0.11 2.56 96.72 0.54 0.00 0.00 0.00 74 H H H 129.26 2.12 14.51 16.64 99.18 36.16 -92.14 -29.20 11.59 0.04 88.37 0.36 1.09 10.22 87.78 0.48 0.04 0.01 0.02 75 D C C 61.99 6.96 11.51 20.15 111.39 24.70 -131.48 75.59 92.47 0.55 6.98 68.37 14.80 7.90 7.57 0.70 0.00 0.18 0.48 76 S H H 57.54 6.36 11.60 19.91 93.16 164.98 -62.61 -34.22 17.31 0.18 82.51 2.49 1.80 12.19 67.40 15.83 0.08 0.10 0.10 77 D H H 89.26 3.79 14.61 19.56 91.94 59.88 -66.67 -31.61 10.05 0.06 89.90 0.66 0.72 8.00 75.86 14.66 0.04 0.03 0.03 78 A H H 46.83 7.43 12.41 21.43 92.82 54.27 -67.66 -34.62 5.80 0.06 94.14 0.55 0.50 4.36 79.77 14.75 0.02 0.04 0.02 79 V H H 79.22 6.61 13.25 21.01 94.97 48.28 -73.56 -36.34 11.05 0.15 88.80 0.87 1.26 8.95 79.95 8.69 0.13 0.07 0.07 80 L H H 100.94 3.80 14.00 18.50 98.93 40.88 -96.98 -10.01 40.09 0.95 58.95 3.54 7.80 29.80 52.99 4.37 0.47 0.36 0.67 81 G C T 40.63 4.65 12.92 19.28 107.54 -120.85 79.46 16.70 97.34 0.90 1.77 28.30 21.78 47.57 0.59 0.93 0.00 0.47 0.35 82 H C C 126.46 4.22 12.39 18.11 110.97 76.16 -93.48 117.34 94.95 3.51 1.54 63.66 24.47 6.68 0.40 1.15 0.00 1.54 2.10 83 F C C 99.00 8.39 9.54 19.28 117.03 -166.24 -101.52 129.16 95.94 3.37 0.69 81.76 11.65 2.17 0.20 0.53 0.00 1.52 2.17 84 S C S 80.97 2.90 14.52 18.31 108.67 -134.16 -79.20 136.25 98.52 1.18 0.30 42.98 52.86 2.83 0.06 0.23 0.00 0.53 0.51 85 Y C S 136.54 6.85 11.97 20.27 116.36 -59.85 -94.71 126.48 98.80 1.10 0.10 29.27 68.32 1.37 0.02 0.08 0.00 0.46 0.49 86 P C C 53.22 11.26 10.22 22.38 116.21 -119.74 -70.10 150.14 99.02 0.90 0.07 91.92 6.78 0.29 0.02 0.04 0.00 0.33 0.62 87 D C C 84.24 3.26 16.96 20.73 107.87 -118.46 -84.65 115.94 99.41 0.54 0.05 98.31 1.05 0.07 0.01 0.02 0.00 0.14 0.39 88 P H G 56.71 14.15 9.47 23.90 92.34 -157.06 -63.08 -23.63 11.55 0.09 88.36 1.12 0.97 7.77 1.04 89.03 0.00 0.06 0.01 89 S H G 83.56 2.57 14.31 18.06 90.75 66.00 -71.99 -15.74 10.68 0.05 89.27 0.40 0.64 8.54 1.03 89.34 0.00 0.03 0.00 90 Q H G 128.69 1.88 15.71 17.46 95.52 52.65 -93.39 -9.88 10.34 0.12 89.53 1.06 1.31 6.74 1.39 89.41 0.00 0.08 0.01 91 W C C 68.54 12.75 8.80 22.23 120.30 84.98 -98.92 140.81 92.84 1.97 5.19 66.45 23.86 2.35 2.40 2.38 0.00 0.59 1.97 92 T C C 54.41 4.75 17.21 23.01 126.22 -151.39 -102.17 166.71 84.85 9.98 5.18 67.38 12.52 1.93 4.21 1.03 0.00 1.96 10.97 93 D H H 61.83 11.91 11.24 23.83 92.39 -106.15 -61.05 -36.03 39.40 5.27 55.33 8.01 14.71 19.23 39.87 9.47 2.14 1.25 5.31 94 E H H 140.57 1.49 15.37 16.82 92.41 53.95 -65.32 -39.08 37.18 0.25 62.57 1.20 3.07 32.44 39.99 22.72 0.26 0.12 0.20 95 E H H 111.48 4.49 14.26 19.94 93.06 48.83 -69.45 -35.09 36.11 0.38 63.51 1.27 2.94 31.17 38.81 24.94 0.35 0.19 0.34 96 L H H 62.59 10.73 11.91 23.62 95.49 38.37 -95.41 -5.79 41.18 0.54 58.28 2.01 4.66 33.92 35.18 23.05 0.35 0.24 0.59 97 G C T 51.95 2.33 17.61 19.85 95.19 -114.03 79.18 13.81 99.25 0.21 0.54 20.62 8.70 70.03 0.14 0.30 0.00 0.11 0.10 98 I C C 46.93 11.94 9.47 22.72 118.09 130.30 -101.94 132.84 96.30 3.56 0.14 69.35 26.33 0.40 0.05 0.07 0.00 0.96 2.83 99 P C C 64.87 4.48 15.28 21.19 114.37 -109.75 -66.47 150.07 99.27 0.59 0.15 95.73 3.17 0.40 0.03 0.09 0.00 0.25 0.33 100 P C C 79.05 7.61 11.49 20.45 98.68 -105.50 -63.84 -20.47 76.47 1.32 22.22 42.86 10.29 20.95 2.06 22.50 0.00 0.66 0.68 101 D C T 105.49 3.17 11.35 15.90 100.09 59.11 -80.87 -6.11 73.59 1.46 24.95 22.58 15.80 34.24 1.92 24.04 0.00 0.74 0.67 102 D C C 98.94 3.91 9.31 14.84 100.93 77.43 -86.51 10.65 70.49 2.02 27.49 36.85 11.91 20.35 2.48 26.53 0.00 1.06 0.81 103 E C C 123.18 4.29 8.04 14.13 107.82 102.28 -86.30 89.81 89.13 1.39 9.48 77.87 3.35 8.88 2.61 5.80 0.00 0.72 0.77 104 D C C 115.52 2.01 11.34 14.64 108.51 -142.03 -84.68 104.63 99.84 0.08 0.08 99.45 0.22 0.23 0.03 0.01 0.00 0.04 0.02