# 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 94.75 9.31 15.82 25.75 114.96 -154.83 -92.94 129.18 99.80 0.19 0.00 99.82 0.04 0.01 0.00 0.00 0.00 0.12 0.01 1 R C C 100.80 10.85 15.65 27.09 119.16 -156.03 -101.90 134.66 61.37 38.54 0.10 60.00 0.70 0.22 0.02 0.05 0.00 38.02 0.98 2 H E E 72.61 11.78 18.38 30.61 122.81 -156.08 -110.03 139.27 26.64 73.28 0.08 23.46 2.19 0.24 0.01 0.07 0.00 73.41 0.63 3 Y E E 21.17 20.13 17.22 37.43 129.47 -167.56 -126.34 146.14 8.31 91.67 0.02 7.77 0.39 0.03 0.00 0.01 0.00 91.60 0.21 4 E E E 45.07 13.77 24.58 38.46 122.73 -152.15 -115.91 134.16 3.52 96.47 0.01 3.18 0.20 0.01 0.00 0.00 0.00 96.56 0.04 5 I E E 6.49 23.73 21.36 45.09 123.22 -165.84 -119.13 132.33 1.82 98.17 0.00 1.71 0.06 0.00 0.00 0.00 0.00 98.20 0.02 6 V E E 14.58 18.55 26.26 44.52 119.36 -161.84 -112.27 129.11 0.88 99.12 0.00 0.79 0.03 0.00 0.00 0.00 0.00 99.17 0.01 7 F E E 5.38 24.84 24.72 49.00 126.06 -169.94 -120.92 136.72 0.21 99.79 0.00 0.19 0.01 0.00 0.00 0.00 0.00 99.80 0.00 8 M E E 16.12 19.93 27.56 46.88 116.53 -155.92 -106.40 124.97 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.01 9 V E E 4.33 24.11 21.07 45.21 130.56 173.64 -128.40 149.02 3.47 96.53 0.00 3.46 0.08 0.00 0.00 0.00 0.00 96.20 0.25 10 H C C 43.07 12.47 22.11 35.24 112.26 -110.05 -74.76 135.78 91.12 8.86 0.02 90.83 0.61 0.02 0.00 0.01 0.00 8.40 0.12 11 P H G 47.85 14.03 15.43 30.07 92.28 -122.90 -60.33 -31.31 28.65 0.62 70.73 4.55 3.74 18.83 4.05 68.28 0.00 0.45 0.10 12 D H G 113.33 1.75 20.14 21.28 91.53 61.44 -74.84 -10.99 31.75 0.31 67.93 3.99 3.81 21.54 4.46 65.93 0.00 0.19 0.08 13 Q H G 51.24 13.95 12.56 26.92 98.50 58.40 -100.55 10.10 36.51 0.49 63.01 18.56 6.02 8.62 4.68 61.71 0.00 0.26 0.14 14 S H G 49.93 13.76 12.49 26.06 93.87 113.99 -62.31 -36.01 38.34 0.38 61.28 17.60 5.36 14.10 8.46 54.15 0.00 0.19 0.15 15 E H G 156.93 0.99 18.36 17.67 92.08 57.40 -72.00 -21.86 39.76 0.19 60.05 4.19 4.94 28.36 7.78 54.51 0.00 0.09 0.11 16 Q H G 94.10 7.53 16.49 24.79 97.38 49.05 -91.29 -9.21 36.62 0.21 63.17 7.01 4.30 23.72 13.09 51.65 0.00 0.11 0.11 17 V H H 13.63 23.01 11.77 33.78 93.87 82.93 -64.83 -42.61 6.28 0.02 93.70 3.00 1.49 1.77 92.74 0.97 0.00 0.01 0.01 18 P H H 74.14 6.47 20.23 27.42 91.91 53.71 -62.07 -40.36 2.57 0.01 97.42 0.53 0.16 1.61 96.37 1.32 0.00 0.00 0.00 19 G H H 33.71 2.91 22.44 24.69 91.91 50.09 -63.38 -40.39 1.66 0.01 98.33 0.35 0.12 1.03 97.04 1.44 0.00 0.01 0.00 20 M H H 19.61 17.82 18.74 36.62 92.03 51.28 -64.78 -42.84 0.55 0.00 99.44 0.17 0.05 0.26 99.20 0.33 0.00 0.00 0.00 21 I H H 14.56 22.15 17.92 39.59 91.55 50.65 -63.22 -42.84 0.16 0.00 99.84 0.03 0.01 0.07 99.86 0.03 0.00 0.00 0.00 22 E H H 117.98 3.16 23.81 27.11 91.32 50.95 -63.54 -40.99 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 23 R H H 115.71 5.54 23.46 29.28 91.76 49.46 -64.72 -41.92 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 24 Y H H 7.33 24.53 18.73 43.04 91.87 47.86 -64.96 -42.48 0.12 0.00 99.88 0.01 0.00 0.08 99.90 0.01 0.00 0.00 0.00 25 T H H 33.44 17.44 20.56 37.00 91.48 52.05 -62.37 -42.03 0.25 0.00 99.75 0.02 0.01 0.14 99.81 0.01 0.00 0.00 0.00 26 A H H 60.26 2.35 25.46 26.22 91.36 51.33 -63.77 -41.54 0.75 0.00 99.24 0.07 0.04 0.50 99.34 0.05 0.00 0.00 0.00 27 A H H 22.37 12.30 20.77 33.88 91.79 50.22 -65.06 -42.63 1.29 0.01 98.70 0.16 0.11 0.87 98.73 0.12 0.00 0.01 0.00 28 I H H 3.33 25.90 14.52 40.84 92.21 48.30 -65.74 -41.77 2.50 0.08 97.43 0.48 0.30 1.66 97.21 0.28 0.01 0.03 0.02 29 T H H 76.59 7.92 19.73 28.19 92.81 50.92 -65.13 -39.52 5.27 0.10 94.63 0.83 0.46 3.87 94.16 0.58 0.02 0.05 0.03 30 G H H 56.91 1.48 20.64 21.08 92.45 52.57 -67.69 -27.19 18.87 0.09 81.04 0.75 1.05 17.20 80.05 0.82 0.05 0.03 0.05 31 A C T 29.58 14.97 13.95 29.14 96.34 51.64 -90.22 1.69 82.99 0.09 16.92 0.56 3.25 78.33 16.69 1.04 0.01 0.03 0.08 32 E C T 140.04 2.57 22.44 25.02 95.59 -107.33 66.45 29.95 91.48 0.13 8.38 1.77 3.99 85.42 8.14 0.55 0.00 0.07 0.06 33 G C C 9.18 21.95 10.37 31.10 125.53 139.75 -90.30 166.17 85.24 14.64 0.12 75.43 7.10 0.72 0.02 0.09 0.00 16.31 0.31 34 K E E 114.48 3.50 25.16 28.95 124.02 -135.04 -121.00 139.84 13.11 86.83 0.06 12.21 0.66 0.07 0.02 0.03 0.00 86.69 0.33 35 I E E 48.62 20.31 12.81 32.37 110.49 -123.02 -81.65 122.10 0.88 99.12 0.01 0.87 0.02 0.00 0.00 0.00 0.00 99.05 0.04 36 H E E 95.14 6.01 19.19 26.36 101.59 175.84 -93.07 -35.51 1.70 98.29 0.01 1.18 0.27 0.02 0.00 0.00 0.00 98.52 0.01 37 R E E 113.45 4.26 22.70 27.71 138.88 -2.87 -154.60 149.95 0.93 99.07 0.00 0.65 0.10 0.01 0.00 0.00 0.00 99.23 0.00 38 L E E 56.70 20.66 11.65 30.69 123.77 -161.32 -127.69 128.89 1.05 98.95 0.01 0.91 0.04 0.00 0.00 0.00 0.00 99.03 0.01 39 E E E 92.41 5.27 20.74 26.80 124.54 -171.02 -123.23 138.31 3.34 96.65 0.01 2.63 0.37 0.03 0.00 0.01 0.00 96.93 0.03 40 D E E 87.55 8.20 15.92 25.38 110.17 -122.55 -82.26 120.26 10.17 89.80 0.03 8.71 0.64 0.05 0.00 0.02 0.00 90.52 0.06 41 W E E 95.85 12.26 13.84 26.83 100.04 174.88 -102.30 -2.53 15.70 84.06 0.24 11.93 2.62 0.71 0.06 0.15 0.00 84.33 0.19 42 G E E 27.53 4.55 19.06 24.61 129.06 -113.89 101.95 -169.50 8.66 91.18 0.16 4.28 3.54 0.80 0.03 0.10 0.00 91.11 0.13 43 R E E 140.50 7.26 15.26 24.09 118.94 -42.55 -97.72 134.89 4.06 95.75 0.20 3.34 0.45 0.12 0.08 0.07 0.00 95.87 0.08 44 R E E 89.19 10.42 14.45 26.21 130.59 -177.19 -134.75 147.28 2.18 97.64 0.18 1.90 0.18 0.07 0.08 0.05 0.00 97.62 0.09 45 Q E E 120.49 3.77 17.66 22.81 115.16 -119.31 -86.31 132.68 4.22 95.64 0.15 3.90 0.25 0.06 0.08 0.04 0.00 95.45 0.21 46 L E E 38.05 17.31 8.89 25.51 113.79 -128.38 -81.58 136.26 43.34 56.42 0.24 40.34 1.61 0.20 0.10 0.09 0.00 57.14 0.50 47 A C S 76.07 3.12 15.92 19.94 95.68 -146.65 -73.66 -27.48 77.08 22.83 0.09 22.45 51.50 1.94 0.01 0.09 0.00 23.61 0.40 48 Y C S 123.62 4.03 14.40 19.72 126.43 36.37 -125.35 141.47 76.15 23.76 0.08 7.51 66.06 1.99 0.01 0.07 0.00 23.85 0.52 49 P C C 87.65 4.97 13.12 19.64 113.58 -100.49 -67.00 141.03 72.60 27.01 0.38 64.51 5.67 1.12 0.09 0.31 0.00 26.47 1.83 50 I C C 60.81 12.08 8.37 20.78 118.69 -168.81 -120.63 126.30 64.98 33.58 1.45 55.00 6.40 2.25 0.61 0.97 0.00 21.63 13.15 51 N C S 130.14 1.67 13.83 15.91 97.99 -23.91 51.99 41.97 92.62 3.92 3.45 17.82 38.11 36.92 0.40 3.08 0.00 2.94 0.74 52 K C S 157.39 2.16 14.33 17.20 98.52 -41.72 46.98 10.34 91.77 5.06 3.17 14.55 40.85 36.69 0.28 2.96 0.00 3.89 0.77 53 L E E 67.83 10.05 11.91 23.18 119.36 100.83 -104.19 132.68 44.18 54.68 1.14 33.24 7.95 3.42 0.26 0.98 0.00 50.89 3.27 54 H E E 71.55 10.83 15.67 27.54 119.12 -170.73 -112.79 137.55 31.32 68.52 0.16 22.86 7.01 1.03 0.03 0.14 0.00 68.25 0.69 55 K E E 85.17 9.47 21.19 30.90 125.42 -135.89 -122.33 138.22 12.62 87.27 0.11 9.60 2.39 0.55 0.02 0.09 0.00 87.01 0.34 56 A E E 8.53 20.71 16.24 37.06 134.37 -175.27 -137.10 155.64 5.32 94.64 0.04 4.50 0.63 0.09 0.01 0.03 0.00 94.63 0.11 57 H E E 34.37 13.53 22.92 37.34 122.66 -141.77 -114.22 136.69 1.35 98.61 0.04 1.23 0.15 0.02 0.01 0.02 0.00 98.53 0.04 58 Y E E 32.36 17.91 21.15 38.95 121.68 -158.74 -111.62 131.83 0.23 99.76 0.00 0.21 0.01 0.00 0.00 0.00 0.00 99.77 0.01 59 V E E 13.50 18.29 21.46 40.29 122.25 -166.96 -117.35 131.05 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 60 L E E 30.65 14.97 23.59 38.84 119.17 -162.59 -111.47 127.06 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.82 0.00 61 M E E 16.58 20.15 20.54 40.70 123.50 -169.84 -118.65 134.30 0.39 99.61 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.00 62 N E E 46.78 11.97 24.98 37.21 117.96 -157.43 -106.86 127.41 0.45 99.55 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.00 63 V E E 9.37 22.61 17.56 40.28 127.32 -174.21 -127.18 141.10 0.62 99.38 0.00 0.57 0.01 0.00 0.00 0.00 0.00 99.38 0.03 64 E E E 86.07 8.46 25.45 34.35 117.35 -150.98 -107.93 125.15 4.96 95.03 0.01 4.18 0.58 0.03 0.00 0.01 0.00 95.01 0.19 65 A E E 10.40 20.08 15.13 35.40 139.03 151.44 -147.88 161.09 49.93 50.02 0.05 40.85 7.78 0.13 0.02 0.03 0.00 50.81 0.38 66 P C C 52.12 6.05 20.72 27.69 112.92 -89.17 -64.39 146.65 79.85 19.82 0.33 76.67 2.26 0.25 0.19 0.10 0.00 19.90 0.64 67 Q H H 101.42 9.38 14.36 24.81 91.54 -114.31 -58.59 -36.10 10.70 0.10 89.21 2.09 2.16 6.43 84.14 5.03 0.05 0.05 0.05 68 E H H 132.66 1.47 20.16 20.27 91.08 58.62 -65.05 -34.03 7.08 0.08 92.83 1.48 0.99 4.45 87.65 5.30 0.04 0.05 0.03 69 V H H 25.88 13.85 16.34 31.07 93.42 48.91 -71.04 -38.36 3.77 0.09 96.14 1.43 0.52 1.89 91.16 4.92 0.01 0.06 0.02 70 I H H 17.03 20.82 14.42 34.94 91.59 54.88 -62.41 -43.48 1.43 0.02 98.55 0.56 0.17 0.65 97.43 1.17 0.00 0.01 0.00 71 D H H 85.12 3.00 21.86 24.49 91.56 51.21 -63.96 -40.32 1.62 0.01 98.36 0.47 0.14 0.90 97.62 0.85 0.00 0.01 0.00 72 E H H 95.33 4.10 21.14 25.32 91.90 49.99 -65.11 -40.63 1.89 0.01 98.09 0.38 0.15 1.22 97.37 0.86 0.00 0.01 0.00 73 L H H 9.34 21.91 14.94 36.98 92.27 50.70 -64.55 -42.29 2.32 0.02 97.66 0.56 0.22 1.42 96.57 1.21 0.00 0.01 0.01 74 E H H 73.77 13.31 17.89 30.91 91.60 52.95 -62.74 -40.60 5.52 0.05 94.43 1.12 0.46 3.69 92.93 1.75 0.01 0.03 0.01 75 T H H 85.96 1.81 21.02 21.18 92.84 49.41 -67.42 -39.11 14.20 0.08 85.72 1.52 1.11 11.28 83.33 2.65 0.03 0.04 0.04 76 T H H 53.00 9.07 17.71 27.63 94.41 48.32 -73.55 -34.71 22.32 0.20 77.48 3.05 2.46 16.68 74.54 3.01 0.06 0.10 0.10 77 F H H 25.97 20.27 12.16 31.69 98.25 52.44 -86.86 -16.75 44.68 3.72 51.61 20.75 7.47 18.02 45.13 5.05 0.13 2.07 1.38 78 R C C 128.92 7.11 16.83 24.88 96.41 86.83 -70.32 -25.86 61.54 5.76 32.70 31.79 6.21 21.94 30.00 4.52 0.06 3.76 1.71 79 F C C 126.31 5.44 15.22 21.69 99.58 59.94 -85.93 -2.84 66.32 5.73 27.95 29.50 13.50 23.01 23.72 4.98 0.11 3.24 1.94 80 N C C 69.25 9.00 13.28 23.42 112.44 81.66 -100.44 109.27 80.06 2.95 16.99 52.18 17.31 9.04 15.90 2.90 0.00 1.59 1.07 81 D H H 92.87 7.20 13.94 22.43 95.64 -158.51 -66.98 -20.75 44.07 1.20 54.73 14.13 10.58 19.72 46.54 7.80 0.08 0.71 0.44 82 A H H 57.57 5.49 15.93 22.61 94.07 70.39 -68.23 -32.25 33.68 2.91 63.42 10.72 6.39 17.05 53.81 8.97 0.16 2.28 0.61 83 V H H 38.84 13.22 14.63 28.41 95.23 53.45 -69.72 -38.32 24.97 11.67 63.35 10.92 5.14 10.19 51.96 9.31 0.33 10.81 1.33 84 I H H 46.66 15.44 14.67 30.00 95.86 51.75 -73.95 -32.32 19.37 21.01 59.62 10.41 3.97 6.32 50.07 8.24 0.26 18.89 1.83 85 R H H 130.27 6.78 16.77 24.48 94.85 63.83 -67.98 -29.58 20.62 19.03 60.35 9.98 3.69 7.61 41.86 17.32 0.26 18.02 1.25 86 S H H 63.95 6.57 16.87 24.31 97.83 57.76 -80.92 -17.58 32.82 13.24 53.94 9.64 5.36 16.71 34.83 19.63 0.34 12.32 1.18 87 M H H 65.01 13.73 15.29 28.91 100.52 57.85 -92.91 -2.03 37.90 20.08 42.02 12.81 6.81 18.58 24.36 17.64 0.35 17.77 1.68 88 V E E 52.32 15.74 13.80 29.47 118.34 93.14 -99.29 129.16 27.85 63.70 8.45 21.12 4.03 2.27 8.43 1.87 0.01 59.03 3.24 89 M E E 85.44 9.06 17.05 27.17 122.47 -167.84 -113.55 136.85 23.49 72.77 3.74 20.24 1.95 0.83 4.02 0.76 0.00 69.79 2.39 90 R E E 142.72 6.45 16.37 24.54 116.24 -140.95 -96.86 129.77 31.57 64.59 3.84 27.05 2.77 1.11 3.49 0.95 0.00 62.90 1.74 91 T C C 43.47 14.33 10.52 24.99 121.84 -165.89 -111.39 142.39 64.21 30.03 5.76 55.79 4.86 2.18 3.70 1.99 0.00 29.96 1.52 92 K C C 156.52 2.09 16.43 19.01 97.73 -147.11 -80.80 -19.57 78.01 10.42 11.57 35.88 29.89 13.25 5.81 5.25 0.03 8.59 1.29 93 H C C 113.78 5.08 15.59 21.82 120.60 32.27 -121.33 136.36 78.12 8.29 13.59 37.30 27.06 15.07 6.24 6.72 0.05 6.00 1.57 94 A C C 46.16 11.98 13.17 25.63 115.15 -133.47 -86.73 136.99 77.33 8.90 13.77 62.63 9.22 5.73 6.70 6.79 0.00 7.30 1.63 95 V C C 56.81 12.89 12.40 25.72 113.06 -136.88 -92.86 122.60 77.56 10.28 12.15 61.96 9.78 5.48 7.30 5.15 0.01 7.57 2.75 96 T C C 87.85 5.52 15.09 21.82 105.67 -168.99 -97.44 -7.27 80.41 8.19 11.40 55.46 17.56 7.62 6.58 4.87 0.02 5.72 2.16 97 E C C 130.63 3.09 15.18 19.37 117.97 38.06 -98.65 137.98 85.02 6.01 8.97 56.84 20.77 7.77 5.01 3.87 0.01 4.02 1.71 98 A C C 60.86 9.93 10.14 20.79 114.17 -113.71 -75.74 143.38 90.61 3.67 5.72 68.14 15.66 6.81 2.84 2.83 0.00 2.24 1.48 99 S C C 53.63 6.79 10.52 19.05 119.97 -132.97 -94.20 147.81 95.45 1.88 2.68 76.18 16.14 3.20 1.01 1.61 0.00 1.09 0.76 100 P C C 108.37 2.53 11.26 15.23 96.93 -113.72 -66.30 -17.99 90.73 2.10 7.17 37.57 19.46 34.07 1.36 5.67 0.00 1.30 0.57 101 M C C 126.71 3.84 9.43 14.82 103.80 64.80 -84.62 8.64 88.65 4.00 7.35 55.46 4.23 29.85 1.90 4.35 0.00 3.01 1.19 102 V C C 81.52 8.76 10.63 20.27 108.71 81.83 -91.64 102.80 99.37 0.58 0.05 99.26 0.19 0.08 0.01 0.01 0.00 0.39 0.05