# 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 C C C 45.46 14.65 13.04 27.45 116.57 -148.24 -94.28 135.25 99.35 0.54 0.11 99.11 0.23 0.20 0.03 0.03 0.00 0.30 0.09 1 S C C 72.11 4.59 13.91 19.75 112.87 -156.45 -95.01 136.87 86.59 5.47 7.94 66.98 5.89 14.19 2.41 4.76 0.00 3.96 1.81 2 T C C 96.98 3.39 12.98 17.57 108.65 -85.97 -92.38 71.44 81.85 7.26 10.88 39.50 23.76 19.76 3.42 6.79 0.01 4.63 2.11 3 L C C 81.14 10.59 9.54 20.59 112.57 90.46 -91.94 121.97 75.23 8.11 16.66 45.26 19.02 11.58 5.39 10.98 0.02 5.43 2.33 4 E C C 123.48 4.53 14.58 20.52 110.75 -160.36 -92.07 116.39 74.89 8.61 16.51 42.86 19.99 12.98 5.60 10.35 0.02 6.46 1.73 5 R C C 121.98 8.44 15.38 24.59 115.69 -140.55 -99.28 128.85 66.70 17.28 16.02 41.63 14.72 11.40 5.28 10.16 0.03 14.53 2.24 6 V C C 52.84 14.00 14.77 29.03 117.18 -157.28 -102.45 128.38 61.65 31.34 7.01 49.72 7.71 3.47 3.75 3.49 0.01 27.20 4.65 7 V C C 53.03 12.37 17.03 30.05 116.77 -162.98 -103.63 127.21 61.43 35.17 3.41 46.96 10.47 3.41 1.92 1.86 0.02 30.03 5.34 8 Y C C 91.18 12.55 16.17 28.99 119.49 -159.56 -109.78 131.56 71.89 26.38 1.73 52.12 17.00 2.90 0.83 1.11 0.01 20.88 5.15 9 R C C 104.82 10.28 16.29 27.23 117.90 -158.73 -112.30 123.26 93.03 6.38 0.59 78.89 13.20 1.07 0.21 0.38 0.00 5.15 1.10 10 P C C 63.82 11.67 13.68 25.87 105.84 -126.94 -68.20 135.87 90.72 2.74 6.54 57.93 12.00 20.48 1.14 5.80 0.00 2.01 0.63 11 D C C 104.16 3.95 17.58 22.28 103.31 -99.90 -87.01 68.67 87.92 4.72 7.35 53.10 12.59 22.11 1.39 6.29 0.00 3.22 1.31 12 I C C 55.50 14.97 11.60 26.40 115.08 142.80 -101.35 125.06 83.29 9.31 7.40 64.61 12.12 6.45 2.42 5.03 0.01 6.16 3.20 13 N C C 100.01 6.17 17.34 24.63 105.50 -172.52 -100.41 35.99 84.88 9.77 5.35 61.74 13.74 9.49 1.82 3.46 0.00 7.03 2.73 14 Q C C 87.58 10.01 16.47 26.97 120.72 111.78 -116.54 141.75 80.87 13.55 5.58 50.44 18.90 12.14 1.77 3.76 0.01 9.20 3.76 15 G C C 28.43 11.39 17.10 28.59 124.79 -28.06 100.36 -172.00 83.79 12.37 3.85 46.63 23.41 14.40 0.79 3.16 0.00 9.68 1.92 16 N C C 76.48 12.04 19.71 31.30 108.65 -84.41 -96.11 73.84 75.13 20.00 4.88 41.30 24.00 10.92 1.10 3.87 0.01 16.40 2.40 17 Y C C 82.19 14.24 21.52 34.98 118.87 98.51 -101.89 138.43 60.37 35.71 3.92 41.49 14.38 4.23 1.95 2.39 0.03 27.83 7.71 18 L C C 12.20 23.89 15.41 39.25 114.69 -124.69 -89.69 132.32 68.07 30.37 1.56 60.79 5.52 0.87 1.08 0.61 0.00 22.33 8.80 19 T C C 48.63 7.46 24.31 31.91 128.87 -160.25 -108.31 162.91 93.72 4.96 1.32 91.23 2.59 0.44 1.11 0.23 0.00 3.34 1.06 20 A H H 47.41 14.30 14.74 29.05 91.37 -106.76 -59.00 -36.29 17.33 0.32 82.35 2.64 2.40 11.58 67.65 15.26 0.14 0.19 0.13 21 N H H 115.02 1.78 21.04 22.04 91.48 56.79 -66.27 -30.90 16.46 0.26 83.28 2.12 1.84 11.51 67.60 16.55 0.12 0.16 0.10 22 D H H 33.39 15.66 17.02 32.49 93.80 51.40 -74.69 -28.85 12.49 0.48 87.03 3.22 1.85 6.94 68.23 19.22 0.08 0.32 0.15 23 V H H 7.48 25.27 13.74 38.60 92.84 59.28 -65.86 -34.50 14.48 0.74 84.79 3.91 2.20 8.20 66.94 17.91 0.12 0.48 0.23 24 S H H 67.67 6.09 20.93 27.86 90.59 64.26 -67.95 -19.68 46.96 0.75 52.28 4.10 3.77 37.56 39.01 14.51 0.19 0.43 0.43 25 K C T 114.35 5.96 22.28 28.84 93.69 60.06 -88.59 -6.88 67.01 0.71 32.28 7.16 5.56 53.63 20.89 11.92 0.03 0.40 0.41 26 I C C 5.99 26.70 9.95 36.52 115.03 105.46 -78.53 132.58 94.87 4.18 0.95 81.96 11.70 0.65 0.72 0.27 0.00 1.37 3.33 27 R C C 128.81 4.16 24.05 28.92 128.28 -171.24 -125.31 148.68 89.44 10.28 0.27 88.83 0.97 0.18 0.16 0.06 0.00 3.07 6.74 28 V C T 86.42 11.55 15.95 27.78 110.79 -94.10 -62.22 134.96 97.05 2.57 0.38 1.47 3.07 93.29 0.08 0.17 0.00 1.47 0.45 29 G C T 46.79 3.81 20.26 24.83 95.72 25.99 89.35 -6.44 99.52 0.37 0.11 1.15 3.00 95.41 0.03 0.05 0.00 0.33 0.02 30 M C C 31.19 16.73 13.30 30.74 117.83 133.61 -72.91 144.98 98.76 1.22 0.02 86.89 11.99 0.07 0.01 0.01 0.00 0.63 0.39 31 T E B 54.67 5.51 23.78 29.31 121.75 -122.63 -81.00 161.18 35.22 64.61 0.17 30.75 0.33 0.01 0.15 0.01 0.00 3.95 64.79 32 Q H H 48.72 19.67 14.85 33.80 91.44 -110.54 -58.10 -39.30 1.00 0.00 99.00 0.23 0.12 0.55 98.89 0.21 0.00 0.00 0.00 33 Q H H 110.71 4.39 21.85 26.83 91.50 53.44 -63.19 -40.87 0.34 0.00 99.66 0.05 0.03 0.21 99.55 0.16 0.00 0.00 0.00 34 Q H H 74.81 7.40 22.50 30.23 91.91 48.38 -65.79 -41.21 0.15 0.00 99.85 0.02 0.01 0.09 99.69 0.18 0.00 0.00 0.00 35 V H H 1.88 26.19 16.30 43.21 91.42 49.63 -64.01 -43.78 0.13 0.01 99.86 0.02 0.01 0.08 99.83 0.05 0.00 0.01 0.00 36 A H H 20.20 17.77 18.89 36.20 91.46 51.83 -62.53 -41.14 0.14 0.01 99.86 0.01 0.01 0.10 99.83 0.04 0.00 0.00 0.00 37 Y H H 147.30 3.28 23.87 26.83 92.34 50.05 -65.69 -38.32 0.30 0.00 99.70 0.01 0.01 0.27 99.64 0.06 0.00 0.00 0.00 38 A H H 30.58 15.01 20.41 34.89 95.55 44.51 -75.11 -38.83 1.30 0.00 98.70 0.02 0.04 1.28 98.57 0.08 0.00 0.00 0.00 39 L H H 8.11 23.38 16.34 40.01 97.76 30.80 -95.17 -17.96 6.66 0.04 93.30 0.28 0.74 5.57 93.22 0.13 0.02 0.01 0.02 40 G C S 23.74 5.95 22.32 29.53 125.27 -127.50 89.65 -167.30 98.94 0.84 0.23 43.03 50.44 5.58 0.11 0.10 0.00 0.35 0.37 41 T C S 87.69 5.04 22.22 28.01 115.58 -25.61 -81.41 133.64 97.61 2.34 0.05 41.08 56.70 0.39 0.01 0.03 0.00 1.21 0.56 42 P C C 24.60 21.81 11.96 33.16 116.03 -114.96 -66.20 146.70 93.81 5.95 0.24 92.33 1.67 0.38 0.04 0.17 0.00 4.14 1.27 43 L C S 86.75 7.30 20.72 28.75 95.64 -141.18 -77.87 -27.27 89.78 10.13 0.09 18.08 69.85 1.83 0.01 0.09 0.00 9.57 0.56 44 M E E 72.01 9.51 20.10 30.33 137.79 10.87 -145.79 151.43 19.47 80.33 0.20 11.88 7.58 1.37 0.05 0.21 0.00 74.47 4.44 45 S E E 54.75 13.15 16.13 29.45 130.42 -163.59 -131.43 147.03 26.85 72.97 0.18 22.37 3.54 0.44 0.07 0.15 0.00 67.54 5.89 46 D C C 41.34 13.88 13.65 28.12 110.94 -131.17 -92.82 119.85 83.93 15.94 0.13 79.87 3.15 0.44 0.03 0.10 0.00 14.87 1.55 47 P C T 85.92 6.41 15.68 23.57 93.28 -151.18 -66.72 -18.47 97.52 1.02 1.46 4.14 22.65 70.42 0.05 1.75 0.00 0.80 0.19 48 F C T 108.81 8.08 14.36 23.32 96.56 55.24 -88.79 -0.34 96.65 1.56 1.79 2.96 22.81 70.76 0.07 1.98 0.00 1.06 0.36 49 G C S 41.95 5.62 16.55 23.19 103.41 -95.28 87.48 7.00 82.73 15.32 1.94 31.85 41.75 9.44 0.26 2.13 0.01 10.74 3.82 50 T C T 57.50 9.17 15.82 25.97 118.33 124.09 -96.07 146.10 85.10 13.52 1.39 22.22 30.01 33.84 0.13 1.44 0.00 10.90 1.45 51 N C T 71.87 11.28 18.60 30.10 100.25 -118.16 -86.80 37.03 79.01 20.22 0.77 18.17 29.83 30.73 0.04 0.87 0.00 19.70 0.67 52 T E E 23.15 14.72 19.81 35.48 127.84 116.00 -117.67 145.19 24.54 75.40 0.06 19.58 4.77 0.33 0.01 0.06 0.00 74.55 0.70 53 W E E 17.21 20.71 20.63 41.43 121.76 -143.76 -106.63 136.99 1.92 98.07 0.00 1.79 0.06 0.00 0.00 0.00 0.00 98.03 0.12 54 F E E 23.74 17.32 24.65 41.86 122.99 -158.89 -114.44 137.01 0.49 99.51 0.00 0.43 0.02 0.00 0.00 0.00 0.00 99.54 0.01 55 Y E E 10.29 22.94 21.83 44.47 123.72 -164.34 -117.10 135.61 0.39 99.61 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.01 56 V E E 17.26 16.51 24.87 41.68 120.38 -155.99 -112.35 129.66 0.54 99.46 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.49 0.01 57 F E E 16.59 20.78 20.35 40.92 128.41 -173.00 -123.38 146.73 1.07 98.93 0.00 0.94 0.05 0.00 0.00 0.00 0.00 98.97 0.03 58 R E E 68.32 12.88 22.25 35.21 121.33 -155.46 -111.68 133.97 4.55 95.43 0.02 4.04 0.33 0.04 0.00 0.01 0.00 95.37 0.20 59 Q E E 50.73 14.94 16.70 31.74 120.58 -161.74 -108.36 135.40 31.57 68.29 0.14 24.65 6.26 0.66 0.03 0.11 0.00 67.47 0.82 60 Q C C 87.44 7.50 16.53 25.11 115.57 -149.62 -105.07 121.43 79.17 20.55 0.28 65.58 10.92 1.33 0.05 0.26 0.00 20.87 0.98 61 P C T 79.74 7.42 12.50 21.27 110.62 -112.26 -66.76 140.86 89.16 6.61 4.23 26.63 18.44 44.20 0.45 4.01 0.00 5.38 0.88 62 G C T 56.14 2.28 13.09 16.18 107.51 21.74 87.40 -6.87 91.27 3.17 5.56 19.88 24.64 46.67 0.61 5.26 0.00 2.08 0.87 63 H C S 122.09 4.96 9.78 16.29 110.95 84.40 -95.14 112.64 85.38 4.29 10.34 25.58 35.20 24.96 1.30 8.96 0.01 2.25 1.75 64 E C T 150.46 1.76 12.58 15.13 107.20 -105.50 -85.89 100.37 88.76 3.03 8.21 16.18 33.69 39.29 0.95 7.07 0.00 1.90 0.90 65 G C T 41.16 4.30 14.98 20.17 120.69 7.30 107.81 159.49 83.27 11.41 5.32 28.95 26.51 28.99 0.60 4.69 0.01 8.88 1.37 66 V C C 58.06 13.53 11.48 25.13 118.85 -97.17 -97.94 134.35 61.21 38.04 0.76 53.52 4.88 1.28 0.16 0.60 0.00 37.91 1.64 67 T E E 49.98 9.37 18.07 28.68 122.63 -163.59 -113.70 139.90 25.80 73.94 0.26 22.00 2.87 0.63 0.06 0.19 0.00 73.41 0.83 68 Q E E 80.60 13.41 17.37 30.64 125.65 -154.41 -117.81 138.87 9.65 90.18 0.16 7.41 1.63 0.42 0.03 0.11 0.00 90.22 0.18 69 Q E E 38.41 14.83 18.57 33.98 131.37 -175.53 -133.10 147.30 2.82 97.08 0.10 2.35 0.37 0.13 0.03 0.06 0.00 97.00 0.06 70 T E E 41.42 12.15 22.16 34.87 121.34 -142.16 -106.73 134.70 1.21 98.75 0.04 1.13 0.09 0.03 0.01 0.02 0.00 98.69 0.03 71 L E E 7.52 22.89 18.41 41.48 126.54 -170.98 -121.95 142.20 0.54 99.45 0.01 0.52 0.02 0.01 0.00 0.01 0.00 99.43 0.01 72 T E E 29.26 11.16 26.22 38.50 118.99 -150.27 -107.66 129.55 0.28 99.71 0.01 0.27 0.01 0.00 0.00 0.00 0.00 99.70 0.00 73 L E E 2.80 25.94 18.76 45.74 118.71 -162.36 -109.43 128.30 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 74 T E E 32.52 10.02 26.82 37.97 119.41 -163.05 -111.94 130.79 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 75 F E E 15.42 22.44 14.54 37.02 123.19 -162.01 -111.12 139.36 0.80 99.20 0.00 0.75 0.04 0.00 0.00 0.00 0.00 98.94 0.27 76 N C C 57.22 6.31 18.74 25.99 125.07 -130.59 -82.68 176.38 92.70 7.25 0.05 92.59 0.48 0.10 0.01 0.02 0.00 6.40 0.39 77 S C T 94.30 2.49 14.74 18.80 90.32 -89.80 -65.02 -20.88 97.88 0.49 1.64 0.49 3.60 93.93 0.05 1.55 0.00 0.32 0.07 78 S C T 81.41 1.84 18.11 19.31 91.99 57.26 -87.48 -1.24 98.23 0.09 1.69 0.27 2.97 95.07 0.04 1.59 0.00 0.04 0.02 79 G C S 13.27 16.37 14.39 31.14 96.78 -105.29 85.94 8.02 98.32 0.50 1.18 17.98 75.95 4.43 0.08 1.09 0.00 0.28 0.18 80 V C C 46.97 8.70 22.24 32.27 117.18 140.96 -85.88 137.25 64.53 35.33 0.14 62.34 3.33 0.12 0.08 0.06 0.00 16.67 17.40 81 L E E 14.79 23.14 13.97 37.61 109.07 -115.22 -73.09 125.84 0.71 99.29 0.00 0.70 0.02 0.00 0.00 0.00 0.00 98.83 0.45 82 T E E 62.63 7.35 22.51 30.38 102.05 173.89 -101.98 -28.29 1.11 98.89 0.00 0.76 0.18 0.01 0.00 0.00 0.00 99.04 0.01 83 N E E 68.53 6.84 24.32 31.85 137.94 2.47 -155.66 146.04 0.48 99.52 0.00 0.33 0.05 0.00 0.00 0.00 0.00 99.62 0.00 84 I E E 34.51 22.59 13.52 35.11 124.14 -167.58 -128.49 128.91 0.57 99.43 0.00 0.49 0.02 0.00 0.00 0.00 0.00 99.48 0.01 85 D E E 65.69 6.80 23.56 30.62 123.77 -172.46 -122.76 134.42 2.45 97.54 0.00 1.98 0.25 0.02 0.00 0.00 0.00 97.70 0.04 86 N E E 62.85 17.05 15.04 30.90 120.20 -166.47 -114.29 127.57 17.60 82.37 0.03 14.63 2.39 0.13 0.00 0.02 0.00 82.45 0.36 87 K C C 98.48 7.77 19.89 28.41 120.52 -173.51 -117.50 126.54 63.94 35.78 0.28 56.61 5.12 0.46 0.06 0.22 0.00 36.73 0.81 88 P C C 60.38 11.57 16.31 28.23 115.55 -113.96 -67.98 150.64 71.03 23.78 5.19 54.68 9.40 6.22 0.96 4.39 0.00 22.71 1.63 89 A C C 55.88 10.21 16.37 26.87 110.68 -114.32 -79.31 132.49 74.90 16.88 8.23 49.66 15.11 10.12 1.70 6.99 0.01 13.26 3.13 90 L C C 71.96 12.42 12.61 25.24 117.39 -135.10 -101.65 132.50 68.39 23.65 7.95 46.97 12.70 8.24 2.10 6.42 0.03 17.49 6.03 91 S C C 74.24 4.70 14.47 20.75 118.12 -166.03 -108.53 141.36 77.77 17.27 4.96 50.39 15.12 12.24 1.28 3.98 0.01 13.66 3.32 92 G C C 49.06 5.03 12.80 19.44 117.25 -61.36 25.63 157.92 87.07 9.38 3.56 43.83 25.79 17.97 0.62 3.21 0.00 6.56 2.01 93 N C C 112.57 3.90 12.07 17.67 111.42 -117.76 -96.45 118.94 90.03 6.25 3.71 51.52 23.55 14.98 0.68 3.38 0.00 4.00 1.89 94 G C C 50.12 4.86 11.77 18.26 113.17 -152.39 -94.69 144.72 91.00 4.25 4.75 45.87 22.43 22.66 0.73 4.42 0.00 2.54 1.35 95 G C C 47.07 5.23 11.59 18.36 115.50 -136.84 -90.99 172.30 90.17 4.48 5.34 46.10 24.26 19.66 0.83 5.03 0.00 2.68 1.44 96 H C C 133.91 4.17 11.32 17.14 113.48 -128.59 -96.19 125.58 86.66 7.11 6.23 57.33 18.72 10.14 1.32 5.53 0.00 4.58 2.38 97 H C C 125.32 5.21 10.79 17.61 113.68 -163.23 -96.68 123.78 85.09 7.91 7.00 60.73 15.04 8.81 1.74 5.75 0.00 5.46 2.47 98 H C C 124.21 5.34 10.21 17.15 112.76 -164.93 -96.61 123.43 84.53 7.32 8.14 61.15 13.10 9.74 1.98 6.65 0.00 5.27 2.11 99 H C C 124.92 4.99 9.89 16.49 112.17 -160.35 -96.32 121.16 84.04 7.08 8.88 60.72 12.44 10.28 2.08 7.37 0.00 5.10 2.01 100 H C C 129.03 4.32 9.49 15.51 112.70 -160.51 -95.79 122.49 84.18 6.46 9.36 58.71 13.16 11.74 2.02 7.96 0.00 4.60 1.81 101 H C C 130.80 4.14 8.67 14.54 111.98 -158.39 -96.38 118.40 86.03 5.74 8.24 59.14 13.45 12.85 1.76 7.07 0.00 4.08 1.64 102 H C C 135.04 3.60 8.32 13.72 111.40 -161.51 -95.54 112.02 91.14 4.17 4.69 78.62 3.79 8.84 1.23 3.22 0.00 2.97 1.33 103 H C C 138.13 3.58 10.79 16.12 109.82 -152.98 -91.22 107.92 99.73 0.19 0.09 99.35 0.26 0.21 0.02 0.03 0.00 0.10 0.03