# 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 98.01 9.28 15.10 25.10 116.77 -151.95 -94.05 138.01 99.51 0.48 0.01 99.48 0.12 0.05 0.00 0.00 0.00 0.32 0.03 1 G C C 39.76 8.05 13.88 22.93 123.30 -169.55 -119.98 155.53 72.23 27.06 0.71 67.23 2.01 1.82 0.26 0.41 0.00 24.63 3.65 2 Y C C 117.72 9.63 12.08 22.67 120.50 -145.25 -109.72 137.08 57.23 41.17 1.60 43.58 9.50 3.49 0.63 1.24 0.01 34.94 6.61 3 D C C 86.38 5.70 14.39 21.41 114.67 -153.95 -102.69 124.31 64.05 34.14 1.82 51.68 7.71 3.46 0.61 1.32 0.00 31.47 3.74 4 M C C 98.48 10.30 10.95 21.86 105.22 -165.25 -92.31 30.01 72.52 24.11 3.38 40.57 16.91 16.28 0.84 2.53 0.01 20.20 2.65 5 D C C 106.04 2.86 14.67 18.45 104.28 99.58 -92.74 24.25 78.97 17.90 3.13 34.21 23.83 22.37 0.63 2.46 0.01 13.99 2.49 6 G C C 43.40 7.16 10.96 19.27 112.87 -113.85 86.06 149.82 84.55 13.35 2.09 41.67 29.45 14.04 0.36 1.98 0.00 10.02 2.48 7 S C C 82.72 2.78 12.94 17.15 111.92 119.85 -100.05 116.64 83.86 13.95 2.19 49.22 22.82 12.22 0.43 2.09 0.00 9.68 3.54 8 G C C 45.32 4.40 11.95 18.02 120.33 85.78 141.75 169.87 85.81 12.28 1.91 45.67 29.40 11.24 0.33 1.89 0.00 8.29 3.17 9 S C C 86.15 2.81 12.76 17.02 110.41 -76.31 -86.60 128.18 85.98 10.66 3.36 41.24 26.17 19.31 0.53 3.06 0.00 6.98 2.68 10 G C S 45.56 4.96 12.17 18.63 118.83 86.86 128.10 95.79 85.06 11.57 3.37 33.26 33.57 19.06 0.47 3.10 0.00 8.09 2.43 11 S C C 77.41 4.19 13.90 19.47 113.24 -77.59 -95.22 132.01 79.85 16.37 3.78 50.43 18.49 10.90 0.76 3.48 0.00 11.82 4.11 12 L C C 90.26 9.38 10.69 20.86 105.91 -154.77 -90.16 38.71 71.39 24.62 3.99 38.37 23.48 10.65 1.10 3.17 0.04 15.75 7.43 13 N C S 97.99 4.92 14.89 21.02 116.80 -150.18 -94.40 138.09 76.45 20.70 2.84 30.05 32.13 15.72 0.49 2.41 0.01 16.51 2.67 14 P C C 88.48 5.45 14.43 21.02 111.54 -70.92 -76.16 132.84 79.07 18.28 2.64 44.87 20.35 14.28 0.42 2.31 0.00 16.37 1.40 15 L C C 71.62 12.53 11.01 23.93 117.89 -151.92 -99.60 134.09 55.08 42.82 2.11 42.81 9.06 3.33 0.62 1.53 0.00 40.44 2.21 16 R E E 145.28 4.32 16.74 22.50 120.73 -160.25 -110.83 134.76 28.60 70.02 1.38 23.50 4.26 1.66 0.60 0.86 0.00 66.34 2.77 17 I E E 71.88 13.72 11.04 24.89 117.71 -152.09 -103.49 128.26 26.96 72.05 0.99 23.90 2.43 0.75 0.54 0.52 0.00 68.79 3.05 18 K E E 124.50 4.51 15.75 21.69 115.97 -165.41 -103.78 134.47 43.90 54.90 1.20 37.09 4.80 1.41 0.52 0.70 0.00 53.29 2.20 19 S C C 66.72 7.91 11.81 20.94 118.03 -140.81 -103.41 135.67 68.30 29.45 2.25 50.67 12.67 4.50 0.71 1.53 0.01 27.91 2.00 20 S C C 71.24 5.37 12.38 19.22 113.61 -166.33 -102.54 129.32 81.35 14.60 4.05 50.17 20.30 11.27 1.23 2.80 0.01 12.17 2.05 21 G C C 46.22 5.10 11.69 18.19 117.28 -157.86 -110.34 164.74 80.54 11.58 7.88 39.03 27.52 15.24 2.63 4.89 0.04 7.72 2.95 22 V C C 96.82 4.47 11.43 17.41 113.31 -100.11 -96.13 127.78 75.19 11.70 13.10 42.49 21.08 12.46 6.07 6.71 0.07 7.20 3.92 23 E C C 120.47 4.71 11.65 17.85 108.67 -132.39 -84.14 118.91 71.03 6.74 22.23 33.60 17.73 21.24 7.89 13.13 0.06 3.91 2.44 24 K C T 139.55 4.08 13.31 18.52 101.52 -26.08 -79.82 -1.48 72.88 2.61 24.51 17.30 19.55 37.26 7.20 15.87 0.06 1.42 1.34 25 D C T 82.53 6.63 14.11 21.89 106.36 72.86 -91.01 57.79 74.16 3.83 22.01 21.55 21.48 32.99 5.13 15.11 0.04 2.28 1.42 26 R C C 113.37 9.11 15.79 25.57 113.90 86.65 -96.10 124.08 72.18 15.77 12.06 39.69 18.95 15.20 2.68 8.68 0.02 12.85 1.94 27 R C E 62.81 14.60 16.64 31.45 120.88 -162.02 -104.00 137.06 51.81 45.79 2.40 39.81 9.07 3.30 0.64 1.67 0.00 44.01 1.50 28 A E E 26.66 13.18 21.01 34.88 126.80 -165.21 -120.65 143.18 13.06 86.82 0.11 11.30 1.42 0.16 0.03 0.07 0.00 86.65 0.37 29 F E E 14.58 21.29 18.37 39.82 127.14 -165.44 -124.58 141.64 1.15 98.84 0.00 1.01 0.05 0.00 0.00 0.00 0.00 98.91 0.03 30 K E E 65.29 10.86 25.11 36.42 119.41 -149.54 -110.38 128.42 0.41 99.59 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.00 31 I E E 7.72 23.57 18.19 42.34 122.33 -168.03 -117.07 132.32 0.26 99.74 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.00 32 T E E 28.49 11.22 25.34 37.60 121.12 -162.44 -111.13 132.02 0.22 99.78 0.00 0.19 0.01 0.00 0.00 0.00 0.00 99.80 0.00 33 Y E E 16.57 21.97 19.12 41.07 127.47 -171.06 -122.44 141.90 0.31 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.71 0.01 34 C E E 25.52 12.84 23.28 37.00 122.38 -160.11 -116.44 133.83 2.25 97.74 0.01 1.94 0.13 0.01 0.00 0.00 0.00 97.81 0.10 35 L E E 25.77 17.29 18.84 36.36 124.05 -167.01 -116.18 133.99 30.30 69.56 0.14 26.97 2.16 0.20 0.04 0.09 0.00 70.18 0.38 36 P C E 44.44 11.15 18.26 30.31 113.13 -110.58 -69.32 146.87 51.11 47.20 1.69 36.11 12.35 3.28 0.45 1.16 0.00 45.68 0.98 37 S C C 42.39 11.58 14.79 27.13 122.39 -156.28 -111.69 143.54 59.16 37.53 3.31 42.05 13.31 4.71 1.15 2.19 0.02 33.21 3.37 38 E C C 113.35 5.94 14.04 21.32 112.98 -134.09 -94.71 126.63 56.26 39.55 4.19 36.50 15.28 6.11 1.53 2.65 0.03 34.44 3.46 39 S C E 61.01 6.50 10.77 18.84 119.00 -159.56 -105.38 139.71 54.80 41.59 3.60 38.12 11.74 5.56 1.46 2.13 0.02 38.30 2.67 40 R C E 149.00 3.89 10.06 15.82 116.81 -148.51 -101.19 131.79 51.08 45.42 3.51 35.84 11.34 5.00 1.76 1.88 0.02 41.16 2.99 41 L C C 110.03 3.42 8.13 13.40 115.58 -157.26 -102.49 130.66 60.91 35.40 3.69 42.12 11.72 6.74 1.87 1.91 0.02 32.66 2.96 42 F C C 158.04 2.01 8.09 11.56 109.99 -135.46 -91.91 107.89 82.44 13.03 4.53 49.95 15.06 17.33 2.23 2.13 0.00 11.90 1.40 43 T C C 113.80 1.24 8.62 10.61 103.23 -11.32 -85.19 10.88 87.01 8.25 4.74 41.77 21.38 24.41 2.00 2.47 0.00 6.96 1.01 44 Y C C 166.83 2.04 8.19 11.67 114.19 68.83 -99.92 124.84 64.15 30.51 5.34 32.80 19.29 14.29 1.99 3.08 0.05 25.64 2.85 45 R C E 150.93 3.79 8.64 14.39 115.96 -142.35 -100.62 131.12 49.65 45.33 5.03 33.18 10.18 7.68 1.93 3.07 0.04 41.07 2.85 46 E E E 119.82 4.02 11.11 16.95 116.91 -151.10 -101.87 133.54 43.34 51.53 5.13 31.62 7.53 5.25 2.21 2.97 0.02 47.31 3.09 47 L E E 90.62 8.31 10.02 19.58 115.91 -147.42 -99.43 132.65 46.80 49.35 3.84 35.19 7.51 4.64 1.48 2.35 0.01 45.96 2.86 48 Q C E 103.07 5.20 13.76 20.51 121.66 -166.23 -112.59 142.50 53.63 44.08 2.30 26.50 19.27 9.55 0.48 1.58 0.01 41.54 1.06 49 N E E 88.79 8.33 12.98 22.40 118.72 -134.67 -102.43 133.21 43.72 54.75 1.54 21.63 15.51 8.05 0.23 1.17 0.00 52.72 0.69 50 V E E 58.48 9.67 13.80 24.98 122.61 -167.06 -117.82 136.55 15.88 83.81 0.31 12.04 3.41 0.72 0.09 0.19 0.00 83.16 0.40 51 Y E E 115.19 9.74 14.98 25.74 122.84 -158.28 -117.10 135.05 4.10 95.84 0.06 3.41 0.46 0.07 0.02 0.02 0.00 95.88 0.13 52 T E E 47.28 10.69 16.34 28.45 126.57 -171.83 -125.27 141.14 1.50 98.49 0.01 1.34 0.07 0.01 0.00 0.00 0.00 98.53 0.04 53 T E E 63.55 11.60 16.60 28.82 122.66 -159.03 -116.26 135.13 1.18 98.81 0.00 1.04 0.06 0.00 0.00 0.00 0.00 98.87 0.02 54 K E E 70.67 11.26 18.33 30.39 127.91 -173.30 -131.05 143.17 1.00 99.00 0.01 0.87 0.06 0.00 0.00 0.00 0.00 99.05 0.02 55 L E E 79.58 9.89 19.34 29.88 115.39 -133.21 -95.14 126.19 1.19 98.81 0.00 1.08 0.06 0.00 0.00 0.00 0.00 98.82 0.04 56 V E E 17.02 17.72 14.55 32.97 125.43 -173.26 -122.87 139.32 5.82 94.18 0.00 5.33 0.25 0.01 0.00 0.00 0.00 94.28 0.13 57 P E E 52.16 5.19 20.83 26.74 114.11 -109.80 -67.39 146.15 23.67 76.30 0.03 22.88 0.61 0.04 0.01 0.02 0.00 76.00 0.44 58 F H G 74.61 15.35 12.24 27.60 91.88 -118.02 -59.04 -35.81 24.09 0.59 75.32 3.29 3.43 15.99 33.26 43.39 0.07 0.38 0.19 59 S H G 90.33 1.22 18.41 18.61 90.95 62.01 -68.72 -21.94 21.31 0.15 78.54 1.23 1.85 16.44 36.57 43.71 0.04 0.08 0.07 60 S H G 51.59 6.60 15.62 23.69 98.35 45.40 -97.98 0.50 18.28 0.25 81.47 3.12 2.18 11.52 33.64 49.30 0.02 0.14 0.09 61 W H H 31.02 21.10 11.22 31.55 93.01 93.70 -62.93 -42.14 12.13 0.17 87.70 6.29 2.12 4.85 80.45 6.14 0.01 0.08 0.07 62 Y H H 130.75 4.69 18.54 24.18 92.09 53.93 -63.62 -41.01 1.59 0.01 98.40 0.51 0.19 0.76 97.94 0.59 0.00 0.00 0.00 63 A H H 61.91 1.88 20.87 21.04 92.16 49.50 -64.65 -41.22 0.46 0.00 99.53 0.10 0.04 0.27 99.32 0.27 0.00 0.00 0.00 64 E H H 41.95 13.34 17.28 31.26 92.20 49.24 -65.97 -40.95 0.20 0.00 99.80 0.03 0.02 0.12 99.71 0.12 0.00 0.00 0.00 65 Q H H 37.09 17.20 15.66 32.67 91.56 52.28 -62.26 -42.22 0.18 0.00 99.82 0.02 0.01 0.11 99.81 0.05 0.00 0.00 0.00 66 Q H H 102.84 2.09 21.39 22.25 91.71 50.74 -63.85 -41.05 0.41 0.00 99.58 0.06 0.02 0.26 99.59 0.06 0.00 0.00 0.00 67 R H H 114.85 3.94 19.96 24.09 91.80 49.99 -64.93 -41.40 0.74 0.00 99.26 0.08 0.05 0.54 99.21 0.11 0.00 0.00 0.00 68 I H H 13.62 19.57 12.66 32.67 91.67 49.91 -64.28 -42.57 1.16 0.01 98.82 0.14 0.09 0.85 98.65 0.26 0.00 0.01 0.00 69 Q H H 95.34 8.54 16.00 25.34 91.60 51.33 -63.41 -39.21 3.14 0.01 96.85 0.29 0.18 2.54 96.07 0.89 0.00 0.01 0.00 70 K H H 161.80 0.94 17.59 17.15 91.05 54.38 -66.35 -26.53 16.81 0.04 83.15 0.49 0.57 16.04 81.68 1.16 0.02 0.01 0.02 71 M C T 93.81 7.40 14.23 22.89 93.61 54.72 -87.50 -1.25 74.68 0.11 25.22 0.83 2.30 69.81 25.52 1.43 0.01 0.03 0.08 72 G C T 47.25 2.85 19.49 22.21 100.28 -101.01 91.18 9.20 99.00 0.15 0.85 4.84 3.72 90.61 0.56 0.14 0.00 0.09 0.04 73 G C C 14.83 17.69 10.46 28.01 123.50 136.87 -82.94 160.56 92.55 7.42 0.03 86.94 4.59 0.22 0.00 0.02 0.00 8.02 0.20 74 K E E 114.16 4.07 23.51 28.06 124.77 -137.24 -123.22 142.26 15.08 84.90 0.01 14.45 0.45 0.03 0.00 0.01 0.00 84.70 0.36 75 I E E 45.58 19.66 12.93 32.33 110.34 -119.57 -79.97 122.75 0.59 99.41 0.00 0.62 0.01 0.00 0.00 0.00 0.00 99.33 0.04 76 F E E 103.55 5.78 19.56 26.42 101.05 176.00 -97.07 -33.81 1.10 98.89 0.00 0.80 0.15 0.00 0.00 0.00 0.00 99.04 0.00 77 K E E 101.03 4.42 22.24 27.58 136.79 -0.79 -151.54 148.16 0.39 99.60 0.00 0.28 0.04 0.00 0.00 0.00 0.00 99.68 0.00 78 V E E 36.25 21.37 11.96 32.77 125.00 -166.18 -130.52 129.99 0.37 99.62 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.00 79 E E E 94.53 4.36 22.94 27.84 127.43 -174.44 -130.92 143.55 1.53 98.46 0.00 1.35 0.05 0.00 0.00 0.00 0.00 98.59 0.01 80 L E E 71.55 13.68 13.56 27.33 114.25 -110.84 -71.86 139.61 8.23 91.71 0.06 7.51 0.42 0.07 0.01 0.03 0.00 91.69 0.27 81 A C C 59.67 8.52 12.93 22.56 101.01 -140.51 -77.74 -25.58 75.34 22.48 2.18 38.28 23.94 13.16 0.21 2.11 0.00 21.42 0.89 82 A C S 82.72 2.32 14.23 17.27 119.30 22.07 -118.86 139.70 79.01 18.68 2.31 18.87 40.32 20.41 0.23 2.08 0.00 16.40 1.68 83 G C S 53.72 3.04 11.98 16.58 115.16 36.97 96.35 159.47 90.09 8.92 0.99 32.85 50.27 7.09 0.10 1.07 0.00 7.32 1.29 84 G C C 48.51 3.68 12.67 17.76 122.15 -78.31 -109.90 161.61 92.00 7.38 0.61 65.62 23.58 2.86 0.12 0.63 0.00 5.63 1.56 85 Q C C 125.85 4.33 12.19 18.44 114.70 -99.47 -80.55 138.28 87.52 10.59 1.90 72.92 9.43 4.72 0.51 1.54 0.00 7.60 3.29 86 M C C 104.22 8.44 10.00 19.54 113.94 -135.76 -90.99 133.43 84.74 13.42 1.84 70.23 8.92 4.89 0.56 1.47 0.00 9.24 4.70 87 R C C 158.69 3.47 12.46 17.72 114.63 -152.16 -99.65 130.91 81.09 15.52 3.39 60.36 12.90 7.33 1.01 2.61 0.00 10.99 4.81 88 S C C 74.74 5.42 10.63 17.68 111.86 -140.28 -94.47 118.52 82.23 13.81 3.96 52.14 17.68 12.55 0.93 3.32 0.00 9.54 3.83 89 C C C 88.06 4.96 10.04 16.50 105.37 -166.53 -96.66 20.70 83.42 12.05 4.53 36.88 23.88 24.00 0.85 3.69 0.01 7.77 2.91 90 G C C 52.26 3.41 10.61 15.57 110.63 -107.44 85.42 10.86 82.55 14.10 3.36 36.48 24.53 23.05 0.60 2.82 0.01 9.59 2.92 91 N C C 115.82 3.11 9.17 14.02 111.27 103.43 -92.60 117.49 85.26 12.36 2.38 73.23 4.38 7.25 0.66 1.60 0.00 8.86 4.02 92 S C C 82.86 3.31 11.70 16.76 111.98 -160.46 -96.47 127.26 99.45 0.53 0.02 99.38 0.16 0.06 0.00 0.00 0.00 0.34 0.05