# 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 118.89 5.40 13.80 20.73 114.43 -153.28 -91.65 130.98 99.89 0.09 0.02 99.76 0.13 0.05 0.00 0.00 0.00 0.04 0.01 1 K C C 108.46 8.32 12.02 21.62 117.57 -151.75 -95.73 136.45 98.35 1.28 0.37 96.42 1.37 0.62 0.20 0.09 0.00 0.37 0.93 2 D C C 71.55 5.75 16.96 23.74 112.64 -134.70 -91.45 127.62 99.27 0.25 0.48 92.65 6.32 0.37 0.31 0.10 0.00 0.09 0.16 3 P H G 35.76 18.43 12.44 30.77 91.53 -132.58 -60.14 -28.69 15.43 0.15 84.42 2.74 1.55 10.25 24.50 60.81 0.00 0.10 0.04 4 R H G 113.26 11.00 17.47 28.76 91.19 65.27 -69.60 -19.00 11.62 0.15 88.22 1.30 1.10 8.59 26.65 62.21 0.00 0.11 0.03 5 D H G 75.73 6.96 20.63 28.13 94.03 61.32 -78.06 -15.05 11.21 0.34 88.45 2.29 1.73 6.98 25.88 62.81 0.01 0.25 0.06 6 V H G 22.70 19.12 16.67 35.49 100.12 61.35 -88.64 -14.48 33.26 9.43 57.31 8.40 7.99 18.31 26.90 28.49 1.25 6.36 2.29 7 L E E 25.96 20.88 14.84 35.44 112.42 92.36 -87.15 120.84 24.23 71.84 3.93 19.13 3.85 1.14 3.57 1.22 0.04 38.15 32.90 8 K C C 103.71 8.48 20.27 29.30 100.22 -173.49 -91.97 -28.23 58.40 40.62 0.98 39.79 18.29 1.48 0.63 0.50 0.01 36.05 3.25 9 R C S 127.42 5.88 22.23 28.79 126.23 4.33 -143.44 137.42 68.26 31.66 0.09 24.22 43.99 0.62 0.02 0.06 0.00 30.30 0.78 10 P C C 44.58 18.13 15.46 32.76 115.48 -108.50 -67.94 146.24 75.47 24.39 0.15 71.95 2.85 0.30 0.05 0.09 0.00 23.07 1.69 11 V C C 47.48 13.22 19.13 32.80 113.83 -132.30 -95.41 123.57 70.04 29.67 0.29 64.69 4.68 0.41 0.18 0.15 0.00 16.12 13.78 12 I C C 65.04 14.88 15.60 30.43 117.15 -159.35 -102.35 125.86 89.71 10.04 0.25 83.37 6.20 0.37 0.14 0.11 0.00 7.09 2.72 13 T C C 45.91 8.14 15.23 24.93 128.41 -151.06 -114.47 171.77 94.41 3.81 1.77 76.77 16.69 0.98 1.65 0.35 0.00 1.76 1.80 14 E H H 146.65 1.72 16.03 18.08 91.12 -99.70 -59.64 -36.52 26.42 0.39 73.19 4.29 6.58 16.56 62.46 9.49 0.23 0.17 0.23 15 R H H 134.51 4.02 16.92 21.84 92.29 52.40 -66.38 -38.40 25.86 0.36 73.78 3.95 4.17 17.89 62.48 10.96 0.17 0.18 0.19 16 S H H 13.04 18.38 11.76 29.93 93.23 50.25 -68.02 -37.44 20.48 0.57 78.95 7.23 3.40 10.04 65.63 13.09 0.07 0.33 0.21 17 A H H 47.63 6.64 16.50 24.51 92.06 59.31 -63.08 -40.27 12.59 0.42 86.99 5.97 2.28 5.09 78.14 8.08 0.04 0.25 0.13 18 D H H 86.16 1.96 19.39 20.20 92.38 51.84 -65.93 -39.15 14.61 0.74 84.64 4.98 2.46 8.08 75.99 7.65 0.11 0.52 0.21 19 L H H 34.03 12.12 13.50 26.95 92.71 51.01 -66.96 -39.02 14.35 1.06 84.59 5.57 2.51 7.57 75.26 7.91 0.13 0.76 0.29 20 M H H 67.74 13.33 12.42 25.82 92.90 54.85 -65.99 -39.44 16.33 0.73 82.95 6.62 2.44 7.90 73.30 8.93 0.07 0.53 0.21 21 T H H 105.75 1.54 15.93 17.09 92.24 54.07 -67.85 -29.34 26.35 1.16 72.50 5.48 3.48 17.59 62.72 9.33 0.22 0.73 0.46 22 E C T 120.50 2.76 14.89 18.21 95.46 49.39 -88.81 0.81 79.28 0.22 20.50 2.85 7.84 68.52 14.93 5.55 0.01 0.10 0.21 23 K C T 131.69 6.50 15.48 23.41 95.05 -115.23 60.59 35.33 98.80 0.14 1.06 5.64 6.58 86.84 0.41 0.40 0.00 0.08 0.04 24 K C C 73.68 11.54 17.08 29.25 125.92 138.21 -109.85 145.69 72.15 27.70 0.15 61.80 8.85 0.51 0.04 0.11 0.00 26.92 1.76 25 Y E E 39.57 17.48 19.16 36.61 116.46 -127.86 -92.59 133.14 30.17 69.79 0.04 28.89 0.83 0.07 0.01 0.02 0.00 69.78 0.40 26 T E E 24.40 16.34 22.51 38.85 128.09 -168.29 -123.83 141.54 6.18 93.81 0.00 6.06 0.12 0.00 0.00 0.00 0.00 93.72 0.10 27 F E E 11.98 22.39 20.36 42.46 127.74 -170.42 -126.82 139.91 0.63 99.37 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.41 0.01 28 E E E 69.32 11.10 26.28 37.67 116.85 -143.62 -102.94 127.41 0.24 99.76 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.01 29 V E E 7.51 23.83 15.49 39.43 132.19 -173.02 -130.57 150.12 2.58 97.42 0.00 2.59 0.04 0.00 0.00 0.00 0.00 97.19 0.18 30 D C C 54.49 7.95 22.83 31.48 110.55 -105.69 -71.76 130.71 58.81 41.17 0.02 58.93 0.46 0.03 0.00 0.02 0.00 40.18 0.37 31 V C T 62.21 15.27 15.13 30.45 91.72 -135.52 -64.29 -22.25 98.54 0.85 0.60 0.70 4.51 93.55 0.02 0.58 0.00 0.57 0.08 32 R C T 167.24 1.89 21.36 22.80 93.41 60.68 -87.41 -2.54 99.14 0.34 0.53 0.75 3.80 94.64 0.01 0.54 0.00 0.23 0.03 33 A C C 10.86 20.78 9.80 30.41 116.64 120.74 -68.70 142.77 98.87 0.93 0.20 70.08 28.67 0.25 0.06 0.11 0.00 0.37 0.45 34 N C C 76.90 3.65 24.08 26.76 124.79 -138.08 -94.61 165.58 95.19 4.64 0.17 94.43 0.69 0.05 0.11 0.02 0.00 0.67 4.03 35 K H H 89.07 15.56 14.56 29.53 91.08 -102.57 -58.74 -37.74 1.67 0.00 98.33 0.22 0.23 0.97 98.43 0.14 0.00 0.00 0.00 36 T H H 87.02 2.33 22.21 23.73 91.73 52.92 -64.18 -40.64 0.86 0.00 99.14 0.08 0.07 0.59 99.13 0.13 0.00 0.00 0.00 37 E H H 68.98 9.19 20.90 30.65 92.01 49.29 -65.53 -40.70 0.25 0.00 99.75 0.04 0.02 0.14 99.71 0.09 0.00 0.00 0.00 38 V H H 1.51 27.06 15.68 43.61 91.18 49.65 -63.59 -43.56 0.06 0.00 99.94 0.01 0.00 0.03 99.94 0.01 0.00 0.00 0.00 39 K H H 73.70 14.50 22.07 35.50 91.38 51.37 -61.96 -42.45 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 40 D H H 83.30 2.54 26.76 28.16 91.66 49.28 -64.56 -41.56 0.10 0.00 99.90 0.00 0.00 0.07 99.92 0.00 0.00 0.00 0.00 41 A H H 8.87 16.33 20.94 38.03 91.63 50.52 -63.90 -43.16 0.14 0.00 99.86 0.01 0.01 0.10 99.88 0.00 0.00 0.00 0.00 42 V H H 1.72 26.85 17.10 44.63 91.52 48.74 -64.61 -43.01 0.14 0.00 99.86 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 43 E H H 84.13 10.36 20.09 30.53 91.95 51.27 -63.69 -41.32 0.08 0.00 99.92 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 44 S H H 73.15 2.93 22.17 24.74 93.30 47.88 -68.31 -39.88 0.24 0.00 99.76 0.00 0.00 0.24 99.70 0.05 0.00 0.00 0.00 45 I H H 38.59 16.42 17.82 33.79 99.20 37.76 -84.19 -40.29 1.21 0.00 98.79 0.02 0.04 1.22 98.66 0.07 0.00 0.00 0.00 46 F H H 22.47 20.04 15.56 35.72 101.83 23.57 -107.90 -10.24 6.03 0.02 93.95 0.26 0.70 4.82 94.07 0.11 0.01 0.01 0.01 47 G C C 48.61 3.39 22.75 26.32 94.42 -122.97 70.35 25.77 99.62 0.23 0.16 44.12 32.49 23.03 0.06 0.09 0.00 0.13 0.08 48 V C C 18.47 20.07 12.32 32.41 125.92 132.79 -113.98 146.09 94.23 5.73 0.04 77.18 17.10 0.25 0.01 0.03 0.00 4.87 0.56 49 K C C 123.26 3.51 24.51 27.95 112.89 -129.77 -90.49 125.73 86.71 13.27 0.02 86.10 0.94 0.07 0.00 0.01 0.00 12.53 0.35 50 V E E 17.45 23.74 10.31 33.29 113.52 -148.49 -90.77 126.23 22.47 77.50 0.03 23.65 0.27 0.02 0.01 0.02 0.00 75.01 1.02 51 D E E 89.60 3.34 21.42 24.94 98.20 -175.56 -86.12 -34.35 23.41 76.56 0.03 12.96 10.73 0.21 0.00 0.02 0.00 75.94 0.13 52 K E E 98.75 4.34 23.17 28.27 138.80 -0.09 -153.38 150.68 4.02 95.97 0.01 3.02 0.57 0.04 0.00 0.01 0.00 96.32 0.04 53 V E E 33.59 22.70 11.83 33.29 125.07 -164.29 -130.15 132.08 1.40 98.59 0.00 1.23 0.05 0.00 0.00 0.00 0.00 98.69 0.02 54 N E E 66.47 6.22 23.70 30.17 124.53 -172.64 -124.03 138.95 1.40 98.59 0.00 1.14 0.07 0.00 0.00 0.00 0.00 98.77 0.01 55 I E E 60.17 17.91 14.18 31.39 123.54 -159.07 -119.37 132.82 1.01 98.99 0.00 0.93 0.02 0.00 0.00 0.00 0.00 99.03 0.01 56 M E E 69.71 8.24 18.65 28.22 125.54 -173.26 -123.67 140.66 0.75 99.24 0.00 0.67 0.03 0.00 0.00 0.00 0.00 99.27 0.02 57 N E E 83.48 9.59 15.39 26.16 118.08 -144.50 -104.24 128.19 2.68 97.31 0.00 2.25 0.22 0.01 0.00 0.00 0.00 97.46 0.06 58 Y E E 83.11 10.45 13.57 25.47 123.96 -172.74 -120.63 139.51 16.76 83.21 0.03 15.38 0.94 0.08 0.01 0.02 0.00 83.04 0.54 59 K E E 145.38 2.54 16.93 20.40 112.67 -120.45 -86.54 133.81 43.39 56.50 0.11 36.11 4.88 0.77 0.01 0.10 0.00 57.70 0.43 60 G E E 26.82 13.14 9.72 22.70 126.39 -140.09 -99.89 165.70 44.12 55.77 0.11 35.25 6.90 1.00 0.01 0.11 0.00 56.11 0.61 61 K E E 133.58 2.62 16.25 19.70 122.55 -123.00 -113.00 144.39 16.36 83.56 0.08 14.97 1.13 0.15 0.02 0.04 0.00 82.64 1.03 62 S E E 66.79 7.63 10.31 19.55 116.94 -121.63 -85.46 137.81 12.44 87.50 0.06 11.54 0.61 0.10 0.02 0.03 0.00 87.28 0.43 63 K E E 106.20 4.88 11.40 18.35 124.29 -169.54 -123.79 143.58 7.61 92.33 0.06 6.48 0.88 0.16 0.02 0.03 0.00 92.13 0.29 64 R E E 165.10 2.54 9.29 13.96 115.66 -133.60 -95.68 127.90 9.79 90.15 0.06 8.33 0.97 0.16 0.02 0.03 0.00 89.84 0.65 65 V E E 94.29 3.30 7.94 13.27 115.64 -177.55 -124.65 109.51 29.82 69.94 0.24 24.73 3.70 0.95 0.06 0.18 0.00 69.45 0.92 66 G C T 65.53 0.37 10.60 9.60 109.87 -48.84 64.07 -128.17 97.69 1.70 0.61 11.53 26.13 59.97 0.05 0.66 0.00 1.46 0.20 67 R C T 207.10 0.36 9.49 8.76 96.64 -18.20 -88.82 -4.15 97.72 1.63 0.65 11.50 26.03 60.06 0.05 0.73 0.00 1.45 0.18 68 Y E E 139.34 3.22 8.42 13.76 121.93 81.77 -107.70 141.62 27.14 72.65 0.21 19.59 7.43 1.73 0.05 0.20 0.00 69.47 1.54 69 T E E 92.07 3.77 9.79 16.00 123.35 -162.83 -116.28 143.53 16.64 83.31 0.05 14.02 1.55 0.26 0.01 0.03 0.00 83.75 0.37 70 G E E 30.56 4.63 14.32 20.62 138.44 112.35 -147.56 -175.26 9.45 90.52 0.03 7.43 1.52 0.21 0.01 0.02 0.00 90.63 0.19 71 M E E 100.46 7.51 12.41 21.56 122.32 -83.07 -108.60 141.97 6.75 93.24 0.02 6.19 0.37 0.03 0.01 0.01 0.00 90.83 2.55 72 T E E 56.95 8.93 12.98 23.42 123.22 -160.89 -113.05 145.08 48.72 51.22 0.06 45.52 1.93 0.17 0.01 0.05 0.00 51.46 0.86 73 S C C 62.73 7.04 14.91 23.06 112.74 -111.13 -75.72 136.94 70.50 29.41 0.09 57.15 10.13 0.84 0.01 0.10 0.00 31.33 0.43 74 R C C 113.13 9.26 15.13 25.07 114.22 -153.97 -98.55 127.49 71.10 28.81 0.09 56.65 11.44 0.98 0.01 0.11 0.00 30.28 0.52 75 R E E 94.66 11.76 16.60 28.79 125.80 -159.24 -116.42 143.46 19.79 80.18 0.03 17.63 1.51 0.10 0.01 0.02 0.00 79.93 0.80 76 R E E 53.18 15.51 17.42 33.22 126.13 -164.38 -121.13 142.41 3.41 96.59 0.00 3.13 0.15 0.01 0.00 0.00 0.00 96.58 0.14 77 K E E 67.97 12.61 22.35 34.93 124.35 -148.06 -112.03 140.12 1.45 98.55 0.00 1.26 0.07 0.00 0.00 0.00 0.00 98.64 0.02 78 A E E 6.06 22.44 17.88 40.80 127.23 -166.07 -124.11 140.36 0.62 99.38 0.00 0.59 0.01 0.00 0.00 0.00 0.00 99.39 0.01 79 I E E 41.38 11.26 25.36 37.54 117.56 -152.55 -109.03 126.19 0.27 99.73 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.01 80 V E E 6.51 24.06 18.03 42.59 122.73 -168.90 -117.11 133.44 0.38 99.62 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.62 0.01 81 K E E 87.54 8.33 26.52 35.42 119.04 -157.54 -108.08 131.26 1.29 98.70 0.00 1.26 0.03 0.00 0.00 0.00 0.00 98.66 0.05 82 L E E 11.82 23.37 13.36 36.82 117.99 -142.12 -90.12 138.15 18.23 81.74 0.03 17.57 0.62 0.05 0.01 0.02 0.00 80.82 0.92 83 T C C 47.11 7.42 18.92 27.54 118.70 -122.97 -76.26 157.97 84.85 14.69 0.46 78.83 4.59 0.70 0.11 0.33 0.00 14.66 0.79 84 A C T 73.99 5.70 15.03 22.24 94.72 -103.28 -61.83 -29.26 76.78 3.07 20.15 13.49 18.63 45.51 3.92 15.32 0.02 2.23 0.87 85 D C T 114.13 1.77 17.04 18.65 95.72 54.53 -81.27 -2.81 77.91 2.12 19.98 19.02 13.73 45.49 4.16 15.46 0.01 1.39 0.72 86 S C C 25.40 17.43 9.51 26.07 111.28 102.00 -83.04 126.00 69.59 4.74 25.67 50.27 10.75 8.59 4.94 21.14 0.00 3.12 1.18 87 K C C 126.18 6.11 16.30 23.45 102.04 92.15 -88.27 -8.87 70.86 9.20 19.94 50.01 14.43 7.31 5.58 14.02 0.02 6.99 1.63 88 E C C 117.38 5.08 17.32 23.48 112.05 55.97 -89.01 124.76 60.32 20.94 18.75 48.45 7.16 5.50 5.54 12.27 0.02 18.93 2.13 89 I C C 45.45 18.33 10.22 27.38 115.56 -144.95 -99.09 125.62 65.46 27.92 6.62 57.36 5.17 2.60 2.69 3.57 0.00 26.30 2.31 90 E C C 118.58 4.41 16.63 22.41 113.64 -150.40 -94.52 124.05 67.12 29.78 3.10 61.47 2.89 1.84 1.38 1.47 0.00 28.94 2.01 91 I C C 79.93 12.25 10.23 22.58 110.77 -164.97 -95.28 110.44 77.59 20.71 1.70 74.26 1.23 1.83 0.92 0.59 0.00 18.43 2.76 92 F C C 123.56 6.33 13.88 21.42 111.14 -152.37 -98.57 112.79 99.65 0.34 0.01 99.60 0.09 0.04 0.01 0.00 0.00 0.24 0.02