# 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 82.15 11.18 12.88 24.58 119.29 -161.33 -97.99 140.87 99.95 0.04 0.01 99.85 0.10 0.03 0.00 0.00 0.00 0.02 0.00 1 D C C 78.78 4.77 17.69 23.05 112.79 -134.24 -86.61 127.90 94.80 0.69 4.51 93.99 0.55 1.13 3.22 0.45 0.00 0.21 0.45 2 A H G 32.63 17.69 11.77 28.93 93.30 -131.45 -62.17 -29.69 17.08 0.35 82.57 4.53 2.29 9.44 34.95 48.46 0.01 0.23 0.09 3 R H G 119.51 9.67 16.13 26.45 91.92 63.53 -67.58 -23.68 11.40 0.27 88.33 1.97 1.33 7.26 38.01 51.20 0.01 0.19 0.05 4 D H G 82.07 5.51 19.58 25.67 93.40 61.81 -75.62 -16.10 11.57 0.41 88.02 2.64 1.72 6.59 37.41 51.27 0.01 0.30 0.07 5 I H H 32.74 17.41 16.49 33.60 97.21 61.65 -81.93 -24.42 31.35 7.28 61.37 6.77 7.03 17.47 36.94 23.92 1.14 5.05 1.67 6 I E E 24.27 21.27 14.58 35.40 111.75 79.02 -93.88 116.97 21.15 70.03 8.82 14.19 5.06 2.70 8.30 2.39 0.14 45.08 22.14 7 K E E 102.62 8.76 20.35 29.45 102.17 160.28 -90.82 -22.53 47.60 50.53 1.87 33.88 12.32 2.02 1.39 0.78 0.02 46.34 3.25 8 R C E 123.85 7.02 21.46 29.22 125.65 8.26 -135.04 135.13 56.38 43.49 0.13 29.38 27.54 0.65 0.03 0.09 0.00 41.42 0.88 9 P C C 43.27 17.99 15.95 33.16 115.32 -107.68 -67.95 147.35 66.63 33.19 0.18 62.65 2.79 0.35 0.06 0.12 0.00 32.56 1.49 10 V C C 48.81 12.97 20.13 33.41 111.88 -128.87 -93.34 121.59 68.49 31.29 0.22 62.10 5.99 0.42 0.13 0.13 0.00 20.29 10.94 11 V C C 46.66 17.22 14.73 31.51 119.69 -156.42 -104.88 130.45 87.68 12.16 0.15 81.84 5.93 0.26 0.08 0.07 0.00 8.97 2.84 12 T C C 47.87 7.65 16.20 25.29 128.09 -153.38 -106.69 173.06 96.02 3.23 0.76 82.98 12.80 0.45 0.72 0.14 0.00 1.69 1.21 13 E H H 147.33 1.77 16.07 18.25 90.90 -96.98 -59.41 -36.72 19.31 0.20 80.49 2.58 4.69 12.81 74.29 5.29 0.13 0.08 0.12 14 E H H 113.78 3.72 17.26 21.69 92.11 52.51 -66.38 -37.73 18.35 0.19 81.46 2.54 2.71 13.41 74.66 6.38 0.10 0.09 0.10 15 S H H 11.76 19.05 11.69 30.45 92.91 50.68 -67.91 -37.69 12.61 0.38 87.00 4.76 2.13 6.21 78.24 8.25 0.04 0.24 0.12 16 T H H 59.87 7.41 16.78 25.34 92.07 55.72 -63.42 -40.54 7.79 0.36 91.85 3.76 1.35 3.24 86.34 4.95 0.02 0.24 0.09 17 S H H 62.82 1.91 19.41 20.06 92.30 51.67 -65.27 -40.15 10.40 0.68 88.92 3.53 1.67 5.84 83.47 4.74 0.08 0.51 0.16 18 I H H 38.77 11.25 14.11 26.78 92.71 50.19 -67.04 -39.31 10.92 1.14 87.94 4.24 1.85 5.93 82.00 4.74 0.11 0.87 0.25 19 L H H 53.28 14.65 12.07 26.54 92.93 53.97 -65.35 -39.92 13.31 0.67 86.02 5.05 1.93 7.10 79.70 5.48 0.06 0.51 0.18 20 D H H 116.01 1.51 16.28 17.44 92.20 54.39 -67.19 -28.14 24.90 0.66 74.44 4.08 2.83 18.55 68.72 4.98 0.18 0.39 0.28 21 D C T 97.53 2.55 15.10 18.10 95.32 49.90 -89.95 2.15 82.08 0.14 17.78 2.37 7.44 72.09 14.56 3.32 0.01 0.06 0.15 22 K C T 125.38 7.86 15.28 24.28 94.88 -114.65 61.99 32.16 98.91 0.15 0.94 5.78 6.90 86.47 0.38 0.34 0.00 0.09 0.04 23 K C C 77.91 10.81 17.76 29.23 123.53 136.02 -105.84 144.37 72.64 27.26 0.11 62.34 8.76 0.43 0.03 0.08 0.00 27.20 1.17 24 Y E E 37.25 18.24 18.91 36.91 118.02 -127.65 -96.71 135.71 23.70 76.26 0.03 22.63 0.68 0.05 0.01 0.02 0.00 76.31 0.31 25 T E E 24.42 16.19 22.97 39.10 128.77 -168.98 -124.84 142.42 3.91 96.09 0.00 3.86 0.07 0.00 0.00 0.00 0.00 96.01 0.06 26 F E E 11.61 22.59 20.36 42.66 129.70 -172.61 -130.15 143.34 0.38 99.62 0.00 0.33 0.02 0.00 0.00 0.00 0.00 99.65 0.01 27 E E E 67.37 11.19 26.45 38.01 116.40 -140.54 -100.67 127.74 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.01 28 V E E 6.88 24.14 15.79 40.10 131.96 -172.68 -130.56 150.18 2.58 97.42 0.00 2.59 0.04 0.00 0.00 0.00 0.00 97.21 0.16 29 D C C 49.78 8.75 22.51 32.08 110.07 -105.70 -72.06 131.40 61.23 38.74 0.04 61.35 0.48 0.04 0.00 0.03 0.00 37.68 0.41 30 T C T 59.51 14.61 15.61 30.40 91.44 -136.41 -65.00 -20.70 98.50 0.66 0.84 0.61 4.33 93.72 0.02 0.82 0.00 0.43 0.07 31 R C T 166.15 1.95 21.36 22.94 93.21 60.38 -87.41 -4.39 98.95 0.31 0.74 0.61 3.65 94.73 0.02 0.75 0.00 0.21 0.03 32 A C C 10.32 21.14 9.66 30.58 116.86 118.27 -69.32 142.68 98.79 0.98 0.22 68.02 30.64 0.27 0.06 0.13 0.00 0.39 0.48 33 T C C 66.93 3.47 24.09 26.50 125.32 -137.56 -92.10 164.67 94.13 5.67 0.20 93.58 0.63 0.06 0.12 0.02 0.00 0.78 4.81 34 K H H 90.95 15.12 14.54 29.21 91.03 -105.94 -58.17 -37.97 2.41 0.00 97.59 0.31 0.34 1.50 97.62 0.23 0.00 0.00 0.00 35 T H H 85.78 2.35 22.26 23.69 91.63 53.13 -64.19 -40.70 1.60 0.00 98.39 0.14 0.13 1.18 98.33 0.21 0.00 0.00 0.00 36 Q H H 61.41 9.65 20.67 30.96 91.96 49.41 -65.50 -40.80 0.36 0.00 99.63 0.06 0.03 0.22 99.56 0.14 0.00 0.00 0.00 37 V H H 1.50 27.11 15.58 43.61 91.09 49.79 -63.54 -43.37 0.08 0.00 99.92 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 38 K H H 76.09 14.07 22.16 35.22 91.35 51.52 -62.07 -42.33 0.08 0.00 99.92 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 39 Y H H 125.97 2.71 26.51 28.21 91.69 49.41 -64.44 -41.94 0.07 0.00 99.93 0.00 0.00 0.04 99.95 0.00 0.00 0.00 0.00 40 A H H 7.81 16.64 20.80 38.32 91.50 50.21 -63.64 -43.28 0.08 0.00 99.92 0.01 0.00 0.04 99.94 0.00 0.00 0.00 0.00 41 V H H 1.89 26.57 17.30 44.50 91.79 48.84 -64.35 -43.11 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 42 E H H 79.34 10.28 19.97 30.45 91.94 51.05 -63.68 -41.17 0.06 0.00 99.94 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 43 E H H 119.23 2.98 22.13 24.88 92.74 48.32 -67.41 -39.29 0.28 0.00 99.72 0.01 0.01 0.25 99.68 0.04 0.00 0.00 0.00 44 I H H 36.47 16.52 17.32 33.45 98.18 38.87 -81.54 -38.72 1.48 0.00 98.52 0.02 0.05 1.43 98.43 0.07 0.00 0.00 0.00 45 F H H 24.71 19.50 14.68 34.23 104.55 25.18 -110.32 -1.00 14.72 0.06 85.22 0.98 2.23 10.82 85.66 0.23 0.03 0.01 0.04 46 D C T 114.52 2.14 21.64 23.62 94.73 -123.86 58.03 42.74 99.67 0.13 0.19 26.29 15.38 58.06 0.07 0.09 0.00 0.09 0.03 47 V C C 17.85 20.20 11.50 31.59 129.52 134.27 -121.93 149.15 94.30 5.66 0.03 80.14 14.02 0.23 0.01 0.02 0.00 5.18 0.39 48 K C C 124.26 3.19 24.46 27.41 113.56 -128.72 -92.11 127.26 84.84 15.14 0.02 84.38 0.74 0.05 0.00 0.01 0.00 14.56 0.26 49 V E E 21.59 23.16 10.82 33.28 112.18 -140.08 -85.72 124.09 20.09 79.88 0.03 21.17 0.22 0.02 0.01 0.01 0.00 77.69 0.89 50 A E E 59.43 4.54 21.07 26.09 98.37 -173.44 -83.98 -36.36 19.66 80.32 0.03 11.28 8.29 0.17 0.00 0.02 0.00 80.14 0.10 51 K E E 100.25 4.22 23.30 28.26 138.55 -2.05 -153.13 150.24 3.17 96.82 0.01 2.42 0.37 0.02 0.00 0.00 0.00 97.15 0.03 52 V E E 34.74 22.63 11.77 33.12 125.19 -165.02 -130.30 132.06 1.42 98.58 0.00 1.25 0.05 0.00 0.00 0.00 0.00 98.68 0.02 53 N E E 67.90 5.86 23.91 30.00 124.66 -173.03 -124.40 139.49 1.57 98.43 0.00 1.28 0.08 0.00 0.00 0.00 0.00 98.62 0.01 54 V E E 51.70 18.36 13.70 31.32 123.70 -159.51 -119.96 133.08 1.05 98.95 0.00 0.99 0.02 0.00 0.00 0.00 0.00 98.98 0.01 55 M E E 73.22 7.64 19.08 27.97 126.23 -173.86 -125.72 141.28 0.59 99.41 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.44 0.02 56 N E E 81.58 10.06 15.09 26.25 117.64 -145.01 -103.71 127.58 1.92 98.07 0.00 1.64 0.12 0.00 0.00 0.00 0.00 98.18 0.05 57 Y E E 84.90 10.20 13.78 25.46 123.46 -172.34 -119.67 139.20 15.52 84.44 0.03 14.16 0.90 0.08 0.01 0.02 0.00 84.36 0.47 58 K E E 143.64 2.76 16.60 20.49 112.81 -129.04 -88.41 131.77 41.17 58.71 0.13 34.92 4.02 0.61 0.02 0.10 0.00 59.95 0.38 59 G E E 26.06 13.19 9.56 22.60 126.61 -143.90 -91.66 168.05 41.62 58.24 0.14 34.05 5.60 0.84 0.02 0.12 0.00 58.87 0.51 60 K E E 134.32 2.53 16.15 19.42 121.74 -114.69 -110.99 143.78 14.12 85.79 0.10 12.90 0.97 0.15 0.03 0.05 0.00 85.23 0.66 61 L E E 98.09 7.67 10.04 19.33 116.32 -121.34 -87.68 133.79 8.90 91.05 0.05 8.30 0.42 0.07 0.02 0.02 0.00 90.88 0.29 62 K E E 107.87 4.54 11.34 17.96 123.42 -169.55 -119.99 141.36 5.50 94.44 0.06 4.80 0.51 0.11 0.02 0.02 0.00 94.36 0.18 63 R E E 164.11 2.64 9.02 13.86 116.09 -134.44 -96.86 128.28 8.81 91.13 0.06 7.54 0.80 0.16 0.02 0.03 0.00 91.02 0.43 64 M E E 119.37 2.74 8.09 12.78 115.46 -177.78 -124.76 108.43 30.21 69.56 0.24 25.11 3.59 0.88 0.06 0.18 0.00 69.42 0.77 65 G C T 65.39 0.37 10.64 9.63 109.93 -50.59 64.59 -131.67 97.70 1.67 0.63 11.41 26.80 59.41 0.05 0.70 0.00 1.45 0.19 66 R C T 206.78 0.37 9.50 8.86 96.25 -19.10 -87.40 -5.04 97.82 1.50 0.68 11.18 26.91 59.58 0.05 0.78 0.00 1.33 0.17 67 Y E E 140.68 3.14 8.70 13.91 121.27 81.25 -107.60 139.22 26.73 73.03 0.24 19.45 7.04 1.73 0.05 0.22 0.00 70.20 1.30 68 A E E 70.27 4.72 9.72 16.78 124.12 -166.00 -119.00 144.71 14.89 85.06 0.05 12.43 1.45 0.26 0.01 0.03 0.00 85.49 0.33 69 G E E 30.36 4.39 15.01 20.99 139.33 117.20 -145.17 -175.00 7.90 92.08 0.03 6.19 1.21 0.20 0.00 0.02 0.00 92.23 0.15 70 Y E E 131.01 6.85 12.73 21.38 122.88 -86.11 -110.26 142.53 6.31 93.67 0.02 5.75 0.36 0.04 0.01 0.01 0.00 91.92 1.91 71 T E E 46.69 10.48 11.72 23.62 124.57 -158.62 -114.16 150.80 46.75 53.19 0.06 43.75 1.69 0.16 0.01 0.05 0.00 53.63 0.70 72 N C C 110.73 3.76 16.44 21.17 102.44 -113.32 -77.49 38.28 68.22 31.70 0.09 49.58 15.07 1.10 0.01 0.10 0.00 33.79 0.35 73 K C C 89.55 10.00 14.14 24.91 117.47 106.86 -96.07 136.93 66.12 33.79 0.09 53.45 9.12 0.91 0.01 0.11 0.00 35.99 0.41 74 R E E 85.93 12.36 16.55 29.35 127.39 -168.86 -121.57 145.17 11.98 88.00 0.01 10.86 0.72 0.04 0.00 0.01 0.00 87.80 0.56 75 R E E 53.47 15.31 18.05 33.66 125.16 -154.91 -117.89 140.61 1.96 98.04 0.00 1.80 0.08 0.00 0.00 0.00 0.00 98.06 0.06 76 K E E 62.66 13.23 22.22 35.41 125.01 -156.02 -115.93 140.57 1.21 98.79 0.00 1.06 0.04 0.00 0.00 0.00 0.00 98.88 0.02 77 A E E 6.43 22.01 18.23 40.75 125.64 -164.48 -121.12 140.78 0.70 99.30 0.00 0.67 0.01 0.00 0.00 0.00 0.00 99.31 0.01 78 I E E 40.11 11.51 25.34 37.78 117.29 -154.59 -108.28 125.96 0.35 99.65 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.66 0.01 79 V E E 5.95 24.10 18.43 43.06 122.41 -168.40 -116.64 132.50 0.47 99.53 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.53 0.01 80 T E E 45.88 9.39 26.65 36.67 120.62 -159.63 -110.37 133.62 1.80 98.20 0.00 1.77 0.04 0.00 0.00 0.00 0.00 98.13 0.06 81 V E E 9.54 23.08 13.96 37.27 119.42 -152.18 -102.27 137.95 19.66 80.30 0.03 18.69 0.84 0.05 0.01 0.02 0.00 79.36 1.03 82 T C C 44.11 7.10 18.81 27.27 117.88 -122.30 -75.26 155.36 84.59 15.12 0.29 78.61 4.66 0.61 0.06 0.21 0.00 14.90 0.94 83 A C T 73.40 6.25 14.37 22.21 92.66 -106.78 -61.70 -30.11 88.06 1.86 10.08 10.45 19.59 58.28 1.85 7.91 0.01 1.23 0.68 84 D C T 121.01 1.08 17.11 17.03 95.31 52.74 -85.39 0.77 88.09 1.15 10.76 12.24 16.11 59.69 2.22 8.52 0.00 0.72 0.51 85 S C C 28.51 17.00 9.34 25.37 113.56 103.16 -86.00 125.18 78.74 4.95 16.31 52.55 15.51 10.37 3.32 13.68 0.00 3.08 1.50 86 K C C 136.15 4.52 17.08 22.87 99.39 167.74 -92.25 -11.33 78.27 9.65 12.08 54.67 16.86 7.25 3.92 8.03 0.01 7.54 1.72 87 E C C 108.94 5.56 19.12 25.65 122.96 54.44 -115.83 137.04 61.79 25.67 12.55 50.96 6.77 4.28 4.71 7.32 0.02 23.45 2.49 88 I C C 30.47 20.79 11.32 31.24 119.59 -160.60 -112.22 127.36 61.38 31.98 6.64 55.97 3.66 1.67 3.39 2.71 0.01 30.61 1.99 89 Q C C 106.15 5.22 20.27 26.35 112.62 -150.72 -94.43 119.96 62.29 32.17 5.55 57.17 2.90 1.83 2.67 2.18 0.00 31.79 1.46 90 F C C 72.77 15.70 13.46 28.49 104.21 -172.15 -92.98 -19.71 66.73 26.29 6.98 48.62 12.19 6.18 2.50 3.97 0.02 24.91 1.61 91 F C C 89.00 10.46 12.94 24.15 120.92 21.68 -120.38 137.04 67.27 26.84 5.90 46.20 13.56 7.67 2.09 3.43 0.01 25.24 1.80 92 E C C 129.45 4.18 12.70 18.86 114.54 -146.25 -94.50 128.87 76.17 21.27 2.56 70.36 1.88 3.09 1.00 1.16 0.00 20.79 1.72 93 V C C 84.43 8.49 11.37 20.96 115.54 -150.88 -98.83 129.04 99.45 0.53 0.02 99.44 0.09 0.03 0.01 0.00 0.00 0.41 0.02