# 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 P C C 54.95 11.08 18.48 29.88 114.13 -107.14 -71.74 145.10 99.96 0.04 0.00 99.84 0.12 0.02 0.00 0.00 0.00 0.02 0.00 1 L C C 71.58 11.47 18.96 30.49 115.25 -129.49 -88.49 136.29 64.26 35.67 0.07 61.91 1.25 0.33 0.01 0.05 0.00 35.11 1.34 2 Y E E 26.98 20.48 16.36 36.46 127.06 -160.31 -118.42 143.40 19.36 80.61 0.03 17.01 1.81 0.12 0.00 0.02 0.00 80.48 0.55 3 E E E 43.83 14.47 24.46 38.81 123.85 -158.10 -117.27 138.16 3.88 96.11 0.01 3.61 0.23 0.01 0.00 0.00 0.00 96.05 0.10 4 L E E 7.51 23.66 21.87 45.32 123.80 -161.21 -117.98 133.84 1.21 98.78 0.00 1.17 0.04 0.00 0.00 0.00 0.00 98.76 0.02 5 L E E 14.33 20.07 26.40 45.62 123.30 -166.30 -118.59 133.94 0.60 99.39 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.41 0.01 6 C E E 3.10 25.03 25.14 49.68 124.96 -167.11 -120.35 134.81 0.25 99.75 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.00 7 L E E 13.28 20.81 27.92 47.98 116.56 -155.96 -107.30 124.30 0.33 99.67 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.68 0.01 8 A E E 2.83 25.03 21.78 46.78 130.89 -174.69 -128.08 148.01 4.35 95.64 0.01 4.08 0.18 0.01 0.00 0.00 0.00 95.43 0.28 9 K C C 70.52 12.85 25.22 37.62 115.91 -120.78 -87.69 133.98 63.65 36.29 0.05 55.80 5.26 0.26 0.01 0.05 0.00 38.23 0.39 10 P C C 42.82 16.71 17.26 33.40 111.58 -112.82 -68.27 138.53 88.71 9.99 1.30 73.09 11.57 3.74 0.28 1.07 0.00 9.09 1.17 11 L C C 77.14 10.70 16.69 27.71 108.72 -169.51 -100.02 7.78 98.02 0.82 1.16 60.85 32.51 4.76 0.49 0.60 0.00 0.37 0.42 12 G C C 36.28 4.95 18.34 23.65 120.59 -15.76 -77.21 162.42 96.11 0.59 3.30 66.95 24.48 4.56 2.33 1.01 0.00 0.19 0.47 13 K H H 127.52 7.34 13.48 22.21 94.09 -110.60 -62.77 -38.05 9.64 0.04 90.32 4.28 2.28 3.16 88.76 1.48 0.00 0.01 0.02 14 A H H 83.02 1.41 18.08 18.58 92.31 52.61 -64.73 -39.44 5.18 0.03 94.79 1.62 0.73 2.63 93.43 1.56 0.01 0.01 0.01 15 E H H 84.44 7.98 17.76 26.58 92.44 49.33 -66.71 -38.91 3.35 0.04 96.61 1.39 0.42 1.51 95.03 1.63 0.00 0.02 0.01 16 I H H 13.21 21.50 14.29 35.58 91.95 51.04 -63.87 -42.86 1.04 0.01 98.95 0.39 0.13 0.42 98.71 0.35 0.00 0.00 0.00 17 A H H 46.90 8.02 21.94 30.43 91.54 51.57 -62.73 -41.53 0.59 0.00 99.41 0.16 0.04 0.26 99.42 0.11 0.00 0.00 0.00 18 G H H 31.38 3.50 24.42 27.58 91.35 50.16 -63.68 -41.68 0.66 0.00 99.34 0.11 0.04 0.37 99.37 0.11 0.00 0.00 0.00 19 A H H 9.36 19.43 20.54 39.78 91.68 50.98 -64.14 -42.52 0.47 0.00 99.53 0.09 0.03 0.24 99.58 0.06 0.00 0.00 0.00 20 M H H 18.15 22.35 20.43 41.87 91.33 51.25 -62.86 -42.78 0.18 0.00 99.82 0.03 0.01 0.09 99.85 0.02 0.00 0.00 0.00 21 K H H 121.33 3.98 25.53 30.06 91.30 51.19 -63.40 -41.71 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.02 0.00 0.00 0.00 22 I H H 59.71 8.61 24.87 33.99 91.64 48.92 -64.52 -42.77 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 23 V H H 2.42 25.85 21.16 46.91 91.57 48.66 -64.00 -43.64 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 24 G H H 8.88 18.65 21.34 39.66 90.97 51.82 -61.89 -42.96 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 25 Q H H 99.12 2.80 26.73 28.62 91.59 50.29 -64.34 -41.28 0.19 0.00 99.81 0.01 0.01 0.13 99.82 0.02 0.00 0.00 0.00 26 T H H 22.04 13.09 21.69 35.52 91.76 49.76 -64.26 -43.09 0.41 0.00 99.59 0.02 0.02 0.32 99.60 0.04 0.00 0.00 0.00 27 V H H 1.86 26.63 15.25 42.69 91.37 49.20 -64.28 -43.03 0.94 0.02 99.04 0.07 0.07 0.80 98.87 0.19 0.01 0.01 0.00 28 L H H 79.78 11.02 18.85 29.89 91.81 50.38 -63.86 -40.38 1.78 0.02 98.21 0.15 0.09 1.49 97.14 1.11 0.00 0.01 0.00 29 K H H 151.64 1.58 21.03 21.96 90.36 55.16 -65.11 -26.93 12.56 0.02 87.41 0.19 0.28 13.16 85.14 1.18 0.02 0.01 0.01 30 R C T 81.77 12.55 15.41 28.70 94.21 50.62 -93.49 6.65 84.37 0.03 15.61 0.14 0.71 84.38 13.97 0.76 0.00 0.01 0.02 31 G C T 42.66 4.11 23.14 27.75 99.32 -97.34 91.69 11.07 99.73 0.02 0.26 0.40 0.88 98.55 0.13 0.02 0.00 0.01 0.00 32 G C C 5.01 23.48 10.89 33.88 125.40 132.24 -87.69 162.82 86.17 13.82 0.01 83.11 1.94 0.06 0.00 0.01 0.00 14.75 0.14 33 F E E 98.49 5.21 26.30 32.14 124.01 -139.03 -121.35 137.17 5.33 94.67 0.00 5.30 0.14 0.01 0.00 0.00 0.00 94.29 0.26 34 I E E 37.54 21.44 13.74 34.71 110.32 -125.31 -82.42 121.61 0.95 99.05 0.00 1.01 0.01 0.00 0.00 0.00 0.00 98.94 0.03 35 T E E 67.78 5.95 20.23 27.21 101.49 173.70 -98.39 -30.39 2.23 97.77 0.00 1.55 0.41 0.02 0.00 0.00 0.00 98.02 0.01 36 E E E 92.94 4.54 23.42 28.62 138.24 1.72 -153.09 150.24 0.82 99.18 0.00 0.60 0.07 0.00 0.00 0.00 0.00 99.32 0.00 37 V E E 44.40 21.56 11.81 31.93 124.09 -164.33 -128.74 128.45 0.80 99.20 0.00 0.70 0.03 0.00 0.00 0.00 0.00 99.26 0.01 38 Q E E 88.88 5.13 22.47 28.07 123.12 -174.57 -123.85 134.56 2.73 97.27 0.00 2.34 0.15 0.01 0.00 0.00 0.00 97.47 0.04 39 S E E 58.31 11.88 15.43 27.70 111.77 -127.80 -83.80 123.31 15.18 84.82 0.01 13.91 0.45 0.02 0.00 0.00 0.00 85.53 0.10 40 Y E E 90.21 10.83 15.61 27.53 99.96 174.16 -100.24 -2.32 37.52 62.44 0.04 32.61 2.71 0.22 0.00 0.03 0.00 64.19 0.22 41 G E E 26.86 4.52 19.56 25.03 132.03 -105.58 109.33 -170.14 12.89 87.09 0.02 8.02 4.31 0.46 0.00 0.02 0.00 86.98 0.21 42 E E E 117.60 7.14 16.34 25.13 121.04 -46.42 -104.59 137.73 3.67 96.32 0.01 3.17 0.25 0.02 0.00 0.00 0.00 96.35 0.20 43 Q E E 55.29 13.29 14.85 28.89 132.04 -175.32 -136.10 150.50 2.13 97.86 0.00 1.84 0.14 0.01 0.00 0.00 0.00 97.93 0.08 44 Q E E 117.59 4.11 20.72 25.65 114.24 -118.17 -85.81 131.50 4.79 95.20 0.01 4.47 0.19 0.02 0.00 0.00 0.00 94.98 0.34 45 L C C 18.41 22.05 9.70 30.75 114.13 -128.62 -78.74 141.14 61.93 37.81 0.26 59.38 1.28 0.25 0.06 0.14 0.00 38.20 0.68 46 A C S 66.66 4.40 19.08 24.11 94.39 -139.15 -73.00 -20.04 76.50 23.22 0.28 31.76 41.32 2.68 0.02 0.26 0.00 23.39 0.56 47 Y C S 94.17 6.29 17.54 25.15 135.51 27.06 -139.60 157.20 60.50 39.28 0.22 11.20 47.03 2.64 0.02 0.19 0.00 38.20 0.73 48 D E E 86.14 5.57 18.26 24.71 113.21 -96.95 -69.27 141.13 46.59 53.12 0.29 43.82 1.82 0.37 0.06 0.18 0.00 52.95 0.79 49 I E E 24.00 19.01 10.03 28.86 118.59 -147.67 -107.50 131.21 13.99 85.81 0.19 12.20 1.59 0.32 0.08 0.11 0.00 83.20 2.51 50 R E E 143.75 3.73 16.18 21.35 118.42 -158.87 -110.58 130.74 14.18 85.67 0.15 11.61 2.06 0.48 0.04 0.10 0.00 84.48 1.22 51 R E E 100.19 8.73 9.36 19.52 123.56 174.04 -119.82 141.82 44.48 55.25 0.26 36.23 4.63 1.59 0.05 0.22 0.00 56.58 0.70 52 P C T 112.20 1.75 11.61 14.15 99.67 -74.38 -47.57 -39.63 98.62 1.01 0.37 27.44 20.61 50.54 0.04 0.36 0.00 0.90 0.11 53 F C T 179.19 0.94 11.38 12.18 99.23 2.00 -95.89 8.14 98.09 1.49 0.42 22.91 24.43 50.70 0.04 0.46 0.00 1.32 0.14 54 E E E 94.02 5.22 11.49 18.79 127.67 83.25 -125.99 148.74 35.71 64.08 0.21 25.68 9.02 1.77 0.03 0.22 0.00 62.23 1.04 55 I E E 86.87 7.64 13.62 22.92 119.63 -141.52 -107.57 132.19 16.34 83.59 0.07 14.34 1.34 0.24 0.02 0.05 0.00 82.42 1.60 56 Y E E 46.36 14.31 13.71 29.20 117.51 -162.04 -109.76 126.26 17.81 82.15 0.04 16.44 0.85 0.10 0.01 0.03 0.00 81.40 1.17 57 P E E 62.74 8.50 19.79 29.18 100.61 -172.22 -92.24 -21.94 35.08 64.85 0.07 17.53 15.33 1.37 0.00 0.06 0.00 65.47 0.23 58 S E E 36.07 9.52 22.40 32.63 134.64 22.80 -143.85 152.32 16.91 83.04 0.05 10.16 5.93 0.69 0.00 0.04 0.00 83.02 0.16 59 A E E 7.94 21.88 16.74 38.35 136.87 -175.27 -141.32 157.79 3.69 96.31 0.00 3.24 0.22 0.01 0.00 0.00 0.00 96.47 0.06 60 H E E 33.03 14.38 23.95 38.86 127.44 -150.02 -124.25 142.28 0.49 99.51 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.55 0.01 61 I E E 19.77 19.45 21.45 40.61 119.95 -150.85 -108.40 131.11 0.26 99.74 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 62 F E E 18.79 18.88 21.52 40.50 124.03 -168.24 -118.66 137.33 0.22 99.78 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.79 0.00 63 K E E 44.97 14.73 23.72 38.49 119.91 -159.49 -111.34 128.44 0.26 99.74 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.00 64 M E E 13.07 21.19 20.27 41.45 123.26 -170.20 -117.92 134.10 0.25 99.75 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 65 E E E 53.12 12.40 25.06 37.68 120.37 -162.11 -111.54 128.64 0.18 99.82 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 66 F E E 13.06 22.37 19.14 41.42 129.09 -173.17 -127.60 143.28 0.24 99.76 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.01 67 A E E 35.75 11.44 25.47 37.14 122.98 -159.95 -116.69 134.95 2.08 97.91 0.00 1.82 0.15 0.01 0.00 0.00 0.00 97.92 0.10 68 A E E 8.42 21.20 16.25 37.45 137.49 162.81 -146.46 158.52 44.42 55.56 0.02 39.91 3.13 0.07 0.01 0.01 0.00 56.39 0.49 69 P C C 47.57 6.84 21.15 29.03 113.50 -94.35 -65.17 146.78 96.09 3.69 0.22 94.40 1.46 0.20 0.11 0.06 0.00 3.64 0.13 70 T H H 66.75 10.96 14.93 26.69 91.96 -115.41 -60.11 -33.35 24.38 0.17 75.45 3.54 3.56 17.05 70.11 5.50 0.06 0.08 0.09 71 D H H 103.04 2.04 20.88 22.25 91.72 61.53 -68.59 -26.48 17.70 0.15 82.15 2.67 2.16 12.66 76.53 5.75 0.09 0.08 0.08 72 I H H 31.93 15.14 16.61 31.98 94.17 51.85 -69.36 -38.04 7.51 0.18 92.31 2.98 1.19 3.48 86.55 5.63 0.02 0.10 0.06 73 V H H 20.86 20.37 15.34 35.05 92.33 56.80 -62.97 -42.58 2.36 0.04 97.60 1.06 0.31 1.00 96.30 1.30 0.00 0.02 0.01 74 R H H 138.41 3.01 21.80 24.79 91.57 51.84 -63.60 -40.69 1.69 0.02 98.29 0.53 0.17 0.93 97.45 0.90 0.00 0.01 0.01 75 L H H 66.72 5.75 20.42 26.92 91.78 50.29 -64.88 -41.01 2.02 0.03 97.95 0.55 0.19 1.21 97.10 0.92 0.00 0.02 0.01 76 V H H 6.99 22.23 15.09 37.53 91.91 50.13 -64.73 -42.76 2.00 0.04 97.95 0.59 0.21 1.14 96.79 1.24 0.01 0.03 0.01 77 T H H 43.27 13.18 17.50 30.88 91.91 51.50 -63.57 -40.61 3.90 0.08 96.02 0.96 0.35 2.42 94.38 1.81 0.01 0.06 0.02 78 H H H 127.71 1.80 20.40 21.03 92.70 49.55 -66.83 -38.93 8.42 0.08 91.50 0.97 0.63 6.56 89.43 2.30 0.03 0.04 0.03 79 E H H 78.22 9.74 17.03 27.41 93.45 47.60 -72.45 -34.34 13.12 0.12 86.76 1.40 1.13 10.35 85.09 1.88 0.04 0.06 0.05 80 M H H 30.18 19.52 12.39 31.13 97.75 51.79 -87.35 -9.16 43.10 3.02 53.89 13.11 6.82 24.20 49.82 3.17 0.12 1.64 1.10 81 R C T 148.65 4.95 18.76 24.54 99.74 -130.01 -29.87 47.28 72.82 4.10 23.08 30.75 5.24 34.53 22.65 3.02 0.01 2.72 1.09 82 V C C 68.19 12.12 12.42 24.79 110.70 128.74 -93.90 111.34 78.78 7.11 14.10 53.87 14.53 9.20 13.29 2.40 0.02 4.06 2.63 83 N C C 73.08 7.13 14.62 22.97 118.79 125.36 -109.58 136.43 86.14 4.08 9.78 73.31 7.38 4.79 8.34 2.23 0.00 2.51 1.44 84 E C T 133.92 5.09 13.97 20.61 93.80 -137.76 -67.69 -20.44 57.59 1.53 40.88 9.37 8.56 38.56 20.98 20.88 0.09 1.02 0.53 85 N C T 98.44 5.30 16.06 22.27 94.76 63.69 -80.29 -8.61 55.60 3.50 40.90 9.40 6.77 38.28 21.48 20.45 0.12 2.79 0.71 86 V H H 33.37 16.71 11.95 28.59 110.79 87.22 -88.88 116.96 35.12 25.41 39.47 16.93 8.60 12.33 22.22 15.78 0.75 19.78 3.61 87 L E E 72.06 11.27 16.25 27.86 106.03 -151.33 -87.51 62.78 34.47 38.50 27.03 23.02 6.62 5.25 22.68 5.62 0.28 32.59 3.94 88 R C E 110.34 9.65 18.00 27.87 115.39 46.18 -101.96 127.60 36.65 35.50 27.85 26.10 5.40 4.72 20.14 7.21 0.03 35.21 1.19 89 W E E 96.64 15.13 15.43 29.97 119.39 -149.09 -104.60 132.61 35.41 37.25 27.34 24.56 5.99 4.78 18.42 7.68 0.04 37.54 1.00 90 V E E 54.01 11.77 18.36 30.71 117.20 -166.18 -112.96 128.54 25.01 53.14 21.85 18.73 2.92 3.22 16.32 4.73 0.02 53.09 0.98 91 V E E 52.97 15.44 16.37 31.58 119.90 -160.02 -110.33 127.86 18.49 71.64 9.87 15.40 1.44 1.17 9.89 1.26 0.00 69.69 1.15 92 V E E 51.30 11.66 17.92 30.55 122.08 -169.27 -115.95 132.93 15.56 78.74 5.70 13.65 0.96 0.74 5.74 0.71 0.00 77.03 1.17 93 R E E 121.97 9.16 16.68 26.83 115.98 -140.24 -91.36 128.83 27.28 67.24 5.48 23.95 1.87 1.09 5.04 0.92 0.00 65.58 1.55 94 R C C 72.66 13.10 11.79 25.52 114.31 -153.86 -94.81 122.81 84.49 7.94 7.56 78.82 3.65 1.69 6.27 1.33 0.00 7.64 0.59 95 P C C 89.88 4.04 15.05 20.37 95.96 -131.51 -63.80 -30.82 50.30 3.08 46.62 26.32 7.24 16.26 21.58 25.58 0.02 2.36 0.63 96 R H G 153.91 3.21 15.40 19.45 97.12 52.49 -75.64 -11.07 48.30 2.51 49.19 22.75 7.95 16.94 24.68 25.26 0.05 1.64 0.73 97 F H C 58.35 15.24 10.00 24.71 103.14 74.54 -87.12 22.97 45.88 2.77 51.35 30.35 7.72 7.77 28.77 22.89 0.02 1.69 0.80 98 K C H 117.69 6.41 15.62 23.08 100.31 71.47 -77.49 -15.81 51.99 2.34 45.67 36.99 8.62 6.87 39.53 5.94 0.01 1.33 0.71 99 H C H 97.94 6.88 14.87 22.62 111.21 67.27 -95.20 136.63 50.08 1.79 48.13 32.78 9.76 7.59 44.65 3.72 0.01 0.96 0.54 100 T C H 58.32 6.62 16.82 24.51 114.09 8.67 -79.63 145.38 50.43 0.92 48.65 37.62 6.25 5.46 47.63 2.30 0.00 0.44 0.29 101 L H H 51.12 14.51 13.26 27.80 94.12 -106.41 -64.69 -37.15 16.07 0.31 83.62 11.56 2.21 2.94 81.48 1.57 0.00 0.16 0.08 102 Q H H 104.34 3.73 17.77 22.11 92.56 55.48 -64.60 -39.99 7.46 0.19 92.35 4.65 1.11 2.17 90.38 1.53 0.00 0.11 0.05 103 E H H 96.32 3.10 18.55 21.58 92.22 50.20 -65.74 -40.46 5.62 0.19 94.19 3.31 0.79 1.85 92.37 1.51 0.01 0.12 0.04 104 L H H 35.40 12.04 14.99 28.33 92.40 50.23 -65.39 -41.18 4.95 0.15 94.90 2.95 0.68 1.60 93.58 1.06 0.00 0.09 0.04 105 L H H 55.22 9.73 15.67 26.67 92.11 51.59 -64.12 -41.21 3.70 0.10 96.19 2.18 0.50 1.16 95.48 0.59 0.00 0.06 0.03 106 E H H 109.54 2.15 18.88 20.31 92.22 50.35 -64.61 -41.13 3.18 0.10 96.72 1.69 0.42 1.13 96.14 0.53 0.00 0.06 0.02 107 E H H 94.50 3.69 17.66 21.87 92.25 49.54 -65.72 -40.53 3.65 0.12 96.23 1.88 0.48 1.38 95.56 0.59 0.00 0.07 0.03 108 V H H 39.95 9.75 13.90 25.43 92.31 49.81 -64.93 -41.45 4.48 0.14 95.38 2.25 0.61 1.74 94.58 0.69 0.01 0.08 0.04 109 K H H 107.68 3.90 16.37 21.21 91.98 50.93 -64.42 -40.35 6.56 0.17 93.27 2.93 0.90 2.81 92.32 0.88 0.01 0.10 0.05 110 A H H 62.83 2.19 15.75 17.92 92.66 50.87 -65.72 -39.41 12.93 0.20 86.87 4.95 1.79 6.05 85.94 1.08 0.01 0.10 0.08 111 Q H H 94.89 3.77 14.34 19.20 93.74 50.19 -69.11 -36.34 25.89 0.35 73.76 11.17 4.47 10.05 72.58 1.41 0.01 0.14 0.16 112 E H H 96.79 5.18 12.76 19.42 94.91 55.14 -67.92 -35.83 36.51 0.51 62.97 19.11 6.20 10.91 61.31 2.02 0.01 0.22 0.23 113 N H H 94.26 3.52 12.33 17.15 96.10 53.70 -70.36 -34.93 43.91 0.61 55.48 26.05 6.19 11.75 51.88 3.57 0.01 0.28 0.28 114 D H H 99.07 2.37 12.01 15.29 96.44 58.40 -72.31 -24.92 46.05 0.77 53.18 26.07 7.24 13.54 46.62 5.80 0.01 0.37 0.36 115 D C H 99.40 2.87 12.05 16.07 97.15 62.02 -74.52 -23.58 49.91 1.13 48.96 25.04 9.87 16.29 40.34 7.37 0.03 0.55 0.52 116 F C H 112.18 6.97 8.95 17.26 101.10 66.39 -81.85 -3.80 56.98 2.51 40.50 32.10 10.81 15.14 33.42 6.15 0.04 1.28 1.05 117 K C C 142.57 2.62 10.29 14.55 105.66 81.27 -82.77 60.69 73.69 2.27 24.04 58.68 1.88 12.37 22.25 2.50 0.00 1.18 1.15 118 A C C 74.16 4.36 11.57 17.55 106.74 -139.14 -81.53 88.94 99.91 0.04 0.04 99.78 0.08 0.08 0.02 0.00 0.00 0.02 0.00