# 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 94.59 9.70 13.15 23.56 118.10 -164.78 -99.98 135.20 99.82 0.15 0.03 99.80 0.07 0.03 0.02 0.00 0.00 0.06 0.02 1 T C C 73.29 7.12 11.58 20.13 113.98 -150.05 -92.07 136.38 85.01 2.80 12.19 81.95 0.99 2.99 9.85 1.61 0.00 1.35 1.25 2 S H H 71.64 4.35 12.82 18.50 102.19 -156.25 -77.76 -16.20 44.06 2.51 53.43 25.11 8.13 11.93 32.65 19.84 0.03 1.46 0.84 3 A H H 53.69 7.38 14.79 23.34 96.56 62.49 -69.36 -30.26 30.58 1.16 68.26 10.63 5.73 14.07 39.54 28.88 0.05 0.72 0.37 4 L H H 26.33 20.41 11.33 30.40 94.50 56.45 -71.70 -25.62 16.57 0.42 83.00 6.11 2.53 7.23 46.46 37.27 0.01 0.28 0.10 5 E H G 105.61 7.74 15.79 24.73 92.76 73.14 -63.43 -31.60 8.87 0.15 90.98 1.95 1.04 5.04 45.16 46.67 0.01 0.10 0.03 6 N H G 108.54 2.78 19.56 22.42 92.27 59.90 -72.28 -17.51 17.74 0.15 82.10 1.46 1.38 13.13 36.47 47.39 0.02 0.10 0.06 7 Y H G 38.95 17.85 13.94 31.74 97.18 53.19 -97.38 -4.30 32.84 0.66 66.50 3.08 2.50 25.63 22.29 45.73 0.04 0.41 0.32 8 I C T 52.09 15.04 13.76 29.28 112.69 115.49 -67.01 132.73 92.46 3.68 3.86 2.08 3.28 88.08 1.86 1.19 0.01 2.10 1.40 9 N C T 111.76 3.87 20.64 25.32 92.66 10.78 67.99 19.61 97.81 1.41 0.78 0.97 4.54 92.54 0.15 0.38 0.00 1.33 0.08 10 R C S 95.80 8.86 18.75 28.59 129.82 113.31 -113.50 154.39 95.53 4.35 0.11 45.04 49.80 0.67 0.02 0.07 0.00 4.17 0.22 11 T E E 64.94 9.63 21.71 31.60 114.45 -109.88 -82.55 133.32 13.84 86.14 0.02 13.83 0.35 0.03 0.01 0.01 0.00 84.13 1.64 12 V E E 5.05 24.14 16.22 40.88 131.83 -176.00 -130.46 150.02 1.51 98.49 0.00 1.46 0.05 0.00 0.00 0.00 0.00 98.47 0.03 13 A E E 23.50 11.68 26.19 38.88 117.27 -133.70 -100.37 131.79 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.82 0.00 14 V E E 3.06 25.68 19.68 46.14 120.06 -163.69 -113.37 128.35 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 15 I E E 37.53 11.05 25.12 37.32 115.97 -156.96 -108.53 123.32 0.27 99.73 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.71 0.02 16 T C C 9.70 20.01 14.95 35.51 125.32 -146.92 -87.41 168.16 52.44 47.53 0.03 53.09 0.32 0.03 0.00 0.02 0.00 45.76 0.78 17 S C T 67.18 8.26 16.68 26.18 90.08 -100.52 -63.59 -21.94 99.08 0.38 0.54 0.28 2.54 96.39 0.01 0.47 0.00 0.27 0.04 18 D C T 89.90 4.23 17.27 22.52 92.03 59.49 -87.33 0.62 99.38 0.10 0.52 0.19 2.44 96.81 0.01 0.48 0.00 0.05 0.02 19 G C S 37.81 6.30 17.01 24.49 97.34 -102.89 89.03 6.22 99.24 0.39 0.37 14.26 83.87 1.25 0.03 0.27 0.00 0.20 0.11 20 R C C 74.41 11.67 16.77 29.47 118.66 137.81 -78.97 145.87 90.20 9.79 0.01 90.80 0.48 0.03 0.00 0.00 0.00 8.27 0.42 21 M E E 61.52 13.00 21.77 34.90 120.96 -148.44 -113.63 132.35 0.32 99.68 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.64 0.04 22 I E E 8.11 23.06 19.68 42.92 122.11 -167.50 -117.39 131.06 0.04 99.96 0.00 0.03 0.00 0.00 0.00 0.00 0.00 99.97 0.00 23 V E E 36.93 12.66 26.28 39.30 121.05 -164.28 -114.76 130.22 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 24 G E E 4.79 18.17 22.76 41.04 145.71 123.75 -172.29 -177.33 0.26 99.74 0.00 0.21 0.01 0.00 0.00 0.00 0.00 99.78 0.00 25 T E E 39.96 10.26 26.44 37.92 121.81 -74.91 -111.23 137.21 0.42 99.58 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.63 0.00 26 L E E 6.99 24.80 15.18 40.97 110.16 -117.11 -74.74 127.51 1.47 98.53 0.00 1.37 0.03 0.00 0.00 0.00 0.00 98.56 0.02 27 K E E 95.91 6.99 24.08 31.69 99.71 176.66 -97.36 -21.50 4.91 95.05 0.04 3.50 0.93 0.16 0.00 0.03 0.00 95.34 0.04 28 G E E 16.63 7.63 24.38 33.61 145.30 -37.57 165.38 172.34 4.66 95.29 0.05 3.13 1.10 0.23 0.01 0.04 0.00 95.44 0.06 29 F E E 58.77 20.14 13.63 32.66 134.17 -129.01 -143.31 151.35 3.82 96.13 0.05 3.35 0.45 0.06 0.02 0.02 0.00 93.86 2.24 30 D C C 54.62 8.09 17.54 26.64 129.84 -153.30 -118.26 162.85 73.14 26.77 0.09 69.51 1.89 0.38 0.02 0.06 0.00 27.36 0.78 31 Q C T 137.27 3.46 15.63 20.60 91.61 -99.45 -66.40 -19.52 99.05 0.29 0.66 1.11 17.21 80.71 0.03 0.69 0.00 0.20 0.07 32 T C T 83.96 4.13 17.83 22.41 97.33 52.95 -90.11 -11.39 99.30 0.12 0.58 1.33 19.65 78.26 0.02 0.62 0.00 0.07 0.04 33 I C S 53.07 16.12 16.50 31.80 98.67 -92.53 69.94 19.88 96.73 2.27 1.00 26.03 38.86 31.82 0.08 1.06 0.00 1.75 0.39 34 N C C 38.73 11.12 22.16 34.10 115.03 146.33 -83.31 137.23 82.41 17.44 0.15 65.54 8.64 5.76 0.02 0.16 0.00 19.28 0.61 35 L E E 6.78 24.45 18.08 42.91 120.07 -155.07 -108.85 130.35 2.72 97.27 0.00 2.47 0.14 0.01 0.00 0.00 0.00 97.24 0.13 36 I E E 32.35 11.67 26.94 39.67 119.78 -164.92 -114.57 129.55 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 37 L E E 6.89 24.51 17.76 42.65 117.63 -157.02 -103.48 128.20 0.24 99.76 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.77 0.00 38 D E E 50.63 8.70 23.86 32.82 129.51 -174.35 -119.12 157.67 2.51 97.49 0.00 1.43 0.65 0.03 0.00 0.00 0.00 97.88 0.01 39 E E E 107.91 5.22 24.26 30.06 95.57 6.78 57.98 51.80 1.82 98.17 0.00 1.17 0.31 0.01 0.00 0.00 0.00 98.51 0.00 40 S E E 9.00 23.20 13.19 36.13 121.31 172.27 -92.59 147.06 1.49 98.51 0.00 1.35 0.04 0.00 0.00 0.00 0.00 98.60 0.01 41 H E E 62.06 9.94 24.55 35.05 129.04 -168.36 -132.02 142.65 0.27 99.73 0.00 0.21 0.01 0.00 0.00 0.00 0.00 99.77 0.00 42 E E E 40.95 16.85 18.07 34.93 123.53 -158.69 -117.59 133.32 0.22 99.78 0.00 0.17 0.01 0.00 0.00 0.00 0.00 99.82 0.00 43 R E E 78.95 10.46 19.15 30.52 118.14 -157.48 -107.72 130.43 0.63 99.37 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.45 0.00 44 V E E 39.10 11.77 15.70 29.15 120.81 -165.17 -115.72 131.05 0.79 99.21 0.00 0.65 0.03 0.00 0.00 0.00 0.00 99.30 0.01 45 F E E 94.12 7.60 14.15 23.53 117.37 -159.45 -106.05 128.28 4.87 95.11 0.01 3.83 0.65 0.05 0.00 0.01 0.00 95.36 0.09 46 S E E 40.57 7.00 10.76 19.93 122.63 -173.57 -115.41 145.23 26.39 73.54 0.07 22.29 3.05 0.36 0.01 0.06 0.00 73.68 0.55 47 S C T 94.89 1.45 10.25 12.83 93.44 -122.79 -65.30 -27.83 95.52 1.44 3.04 1.74 12.75 81.03 0.14 2.96 0.00 1.15 0.23 48 S C T 101.48 0.37 11.67 10.13 98.36 39.65 -82.44 -29.88 97.46 0.12 2.42 1.29 11.19 84.89 0.12 2.41 0.00 0.07 0.04 49 Q C T 121.59 2.55 10.91 14.54 103.98 21.60 -108.07 -8.36 96.97 0.99 2.03 3.27 11.96 81.64 0.13 2.09 0.00 0.77 0.14 50 G E E 31.67 3.66 13.65 18.96 124.01 -129.77 84.29 -164.91 29.13 70.67 0.19 18.71 6.49 4.17 0.03 0.19 0.00 69.90 0.52 51 V E E 81.03 8.87 11.13 21.26 117.70 -17.07 -90.44 135.98 9.12 90.86 0.02 7.13 1.03 0.16 0.00 0.01 0.00 91.58 0.08 52 E E E 89.31 5.99 15.66 23.39 127.36 -175.14 -128.76 144.79 1.76 98.24 0.00 1.39 0.11 0.01 0.00 0.00 0.00 98.47 0.01 53 Q E E 100.35 9.95 13.21 24.32 119.58 -144.63 -108.37 132.54 0.47 99.53 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.60 0.00 54 V E E 55.86 9.29 15.39 26.37 122.67 -170.93 -121.93 133.22 0.42 99.58 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.62 0.00 55 V E E 89.98 6.66 16.31 24.54 112.45 -125.35 -81.67 126.31 1.73 98.27 0.00 1.57 0.04 0.00 0.00 0.00 0.00 98.36 0.03 56 L E E 50.51 14.33 13.67 28.34 102.40 -172.92 -98.15 -4.10 17.50 82.47 0.03 15.61 0.91 0.07 0.01 0.02 0.00 83.21 0.16 57 G E E 28.63 5.71 20.15 26.61 123.76 -119.41 91.01 -161.50 28.87 71.10 0.03 13.17 14.39 0.35 0.00 0.03 0.00 71.94 0.11 58 L E E 82.59 9.62 17.38 27.78 116.71 -23.95 -94.32 133.97 8.38 91.60 0.02 6.75 0.90 0.05 0.00 0.01 0.00 92.22 0.06 59 Y E E 43.90 17.44 16.70 34.25 129.53 -174.74 -131.89 142.58 0.88 99.12 0.00 0.79 0.04 0.00 0.00 0.00 0.00 99.14 0.03 60 I E E 72.94 10.31 23.37 34.00 116.08 -143.33 -104.56 124.14 0.38 99.62 0.00 0.35 0.02 0.00 0.00 0.00 0.00 99.61 0.02 61 V E E 11.55 22.16 16.73 38.96 122.89 -171.26 -119.38 133.19 3.28 96.72 0.00 3.18 0.08 0.00 0.00 0.00 0.00 96.64 0.10 62 R C C 105.12 6.80 23.76 30.66 113.82 -122.99 -76.54 137.54 63.00 36.94 0.06 59.65 1.75 0.11 0.01 0.05 0.00 38.12 0.32 63 G H G 19.04 18.88 14.30 32.22 94.30 -129.53 -61.12 -37.19 23.25 2.27 74.48 5.20 6.01 11.60 1.06 74.23 0.00 1.69 0.20 64 D H G 105.40 2.94 22.11 25.50 91.20 64.78 -69.81 -19.20 20.86 1.31 77.83 1.56 3.40 14.14 0.85 78.96 0.00 0.94 0.13 65 N H G 49.88 13.33 17.36 31.23 96.70 52.55 -97.60 -0.78 18.10 2.06 79.84 3.23 3.23 10.55 0.92 80.17 0.00 1.78 0.11 66 V E E 19.56 22.25 12.94 34.84 112.98 100.06 -85.90 124.20 8.93 90.60 0.47 8.33 0.75 0.17 0.23 0.20 0.00 89.30 1.01 67 A E E 51.23 7.58 21.53 29.92 100.77 176.32 -96.98 -34.33 5.96 93.78 0.26 4.46 1.25 0.25 0.09 0.10 0.00 93.76 0.10 68 V E E 64.25 7.47 23.71 31.90 136.51 3.09 -149.82 146.42 1.44 98.41 0.14 1.15 0.14 0.05 0.04 0.03 0.00 98.55 0.04 69 I E E 49.22 21.00 15.02 34.63 122.75 -166.24 -125.13 127.42 2.62 97.23 0.15 2.21 0.25 0.07 0.06 0.04 0.00 97.25 0.11 70 G E E 24.55 6.97 22.21 30.16 143.78 132.30 -165.44 173.48 17.80 82.05 0.15 10.27 7.24 0.65 0.03 0.09 0.00 81.47 0.24 71 E E E 121.07 5.14 19.92 25.95 114.82 -60.43 -72.54 138.62 46.27 53.43 0.30 39.54 5.31 0.49 0.10 0.20 0.00 53.37 0.98 72 I C C 42.71 19.31 9.96 28.25 115.20 -125.23 -84.38 135.15 90.99 8.27 0.74 85.69 4.76 0.69 0.44 0.28 0.00 7.06 1.09 73 D C C 72.63 4.97 16.56 22.53 111.16 -136.88 -89.02 121.12 97.42 0.77 1.82 94.43 2.50 0.65 1.61 0.20 0.00 0.38 0.24 74 E H H 127.36 4.61 12.57 19.30 92.77 -146.59 -62.75 -35.02 8.52 0.06 91.42 2.02 1.70 4.89 87.76 3.56 0.02 0.02 0.03 75 E H H 140.80 0.94 16.05 15.45 92.13 53.49 -65.67 -39.59 7.01 0.07 92.92 1.52 1.02 4.53 88.04 4.80 0.03 0.04 0.03 76 T H H 45.51 8.82 13.11 23.45 93.61 46.62 -69.46 -38.57 5.49 0.10 94.41 1.74 0.78 3.03 88.75 5.59 0.01 0.06 0.03 77 D H H 33.90 16.78 10.32 26.54 92.04 56.46 -65.07 -35.35 6.50 0.09 93.41 2.14 0.86 3.48 88.32 5.09 0.01 0.05 0.03 78 S H H 83.10 2.09 16.02 18.59 91.62 58.45 -69.85 -21.60 25.66 0.11 74.22 1.85 1.72 21.73 69.61 4.93 0.05 0.06 0.07 79 A H H 82.10 1.84 16.09 17.72 94.22 55.71 -86.13 -8.14 47.40 0.26 52.34 3.68 4.13 38.41 49.03 4.41 0.04 0.13 0.17 80 L C S 40.70 18.07 7.81 24.50 115.20 102.34 -79.41 137.98 91.02 2.55 6.43 42.61 44.33 3.66 5.76 1.00 0.00 0.75 1.88 81 D C C 90.46 2.96 19.33 22.20 107.47 -145.27 -97.24 105.30 95.88 2.46 1.66 94.16 1.10 1.11 0.80 0.45 0.00 0.91 1.46 82 L C G 58.93 17.53 9.84 26.57 93.61 -172.28 -67.90 -21.32 52.96 1.44 45.60 25.92 4.76 19.36 2.69 45.95 0.00 0.89 0.43 83 G C G 55.69 2.48 15.75 19.32 90.53 67.99 -66.39 -18.89 50.23 0.52 49.24 2.64 4.48 41.06 2.04 49.28 0.00 0.30 0.20 84 N H G 114.77 2.22 16.51 19.03 96.21 49.70 -96.89 1.37 47.76 0.95 51.29 6.03 6.24 33.06 1.83 52.00 0.00 0.59 0.25 85 I C C 35.10 19.39 8.59 26.78 116.15 105.10 -83.84 133.57 83.76 12.90 3.33 60.88 20.17 2.51 1.42 2.05 0.00 7.49 5.48 86 R C C 148.18 3.29 20.79 24.96 121.67 -166.63 -117.06 137.43 73.68 24.91 1.40 67.68 3.91 1.31 0.74 0.68 0.00 15.81 9.87 87 A C C 34.61 19.57 10.62 28.58 121.64 -147.68 -104.03 139.41 79.41 19.39 1.20 63.32 13.82 1.80 0.48 0.82 0.00 15.65 4.11 88 E C C 115.70 4.13 18.48 23.53 118.31 -130.91 -94.20 139.31 82.06 17.47 0.46 68.52 12.62 0.78 0.17 0.31 0.00 15.97 1.63 89 P C C 89.97 6.16 14.47 22.38 114.00 -103.45 -65.69 143.67 76.66 21.70 1.64 68.43 5.40 2.09 0.59 1.12 0.00 16.83 5.54 90 L C C 66.62 14.58 8.72 22.66 114.46 -122.04 -82.68 141.00 87.58 10.00 2.43 70.44 12.97 3.76 0.74 1.86 0.00 6.78 3.45 91 N C C 125.94 1.50 15.83 17.21 113.25 -114.13 -85.92 133.86 90.35 7.75 1.91 67.43 19.13 3.75 0.43 1.64 0.00 6.34 1.28 92 S C C 74.41 5.91 10.14 18.03 115.76 -111.60 -75.80 143.98 85.59 11.71 2.70 70.71 10.16 4.39 0.61 2.21 0.00 10.09 1.83 93 V C C 95.91 5.36 8.67 15.97 116.96 -141.12 -101.83 131.25 77.71 20.21 2.08 66.44 7.21 3.07 0.79 1.35 0.00 14.78 6.35 94 A C C 86.86 2.19 9.25 13.29 114.26 -139.23 -92.05 130.10 83.58 15.56 0.86 80.90 1.43 1.40 0.32 0.37 0.00 12.90 2.68 95 H C C 133.39 4.51 10.22 16.69 112.95 -156.97 -99.89 120.79 99.83 0.16 0.00 99.83 0.05 0.02 0.00 0.00 0.00 0.09 0.01