# 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 100.18 7.29 13.08 21.73 119.51 -160.81 -100.79 136.24 99.95 0.05 0.00 99.86 0.10 0.01 0.00 0.00 0.00 0.02 0.00 1 P C C 79.93 5.90 12.69 20.17 113.45 -108.05 -68.24 146.98 98.73 1.18 0.08 98.30 0.29 0.43 0.01 0.04 0.00 0.79 0.13 2 K C C 127.26 6.21 12.21 20.07 109.66 -131.94 -85.43 122.73 84.74 14.92 0.34 65.50 15.91 2.43 0.05 0.40 0.00 14.82 0.88 3 K E E 86.16 10.28 14.89 26.03 122.78 -77.27 -111.90 137.86 45.59 54.10 0.31 38.39 5.54 0.82 0.05 0.30 0.00 54.06 0.85 4 V E E 65.08 10.78 18.48 29.93 120.57 -154.89 -111.78 129.93 18.10 81.83 0.07 16.57 1.27 0.11 0.02 0.05 0.00 81.34 0.63 5 L E E 18.95 20.12 16.64 36.70 122.64 -165.07 -115.06 135.16 10.88 89.09 0.02 9.96 0.59 0.05 0.00 0.01 0.00 89.10 0.27 6 T E E 57.84 9.43 24.59 34.28 123.73 -164.78 -117.06 135.89 8.18 91.80 0.01 7.41 0.37 0.03 0.00 0.01 0.00 92.04 0.14 7 G E E 6.88 18.98 18.62 37.59 143.90 140.62 -164.08 175.57 4.17 95.82 0.01 3.25 0.56 0.04 0.00 0.00 0.00 96.11 0.04 8 V E E 61.08 7.58 25.42 33.95 123.89 -95.35 -118.58 139.27 1.40 98.59 0.00 1.22 0.07 0.00 0.00 0.00 0.00 98.69 0.03 9 V E E 20.00 21.89 14.15 36.32 109.84 -117.28 -76.84 125.69 1.42 98.58 0.00 1.30 0.04 0.00 0.00 0.00 0.00 98.62 0.04 10 V E E 67.45 6.82 21.25 28.92 102.80 175.61 -101.13 -26.37 4.55 95.44 0.01 3.59 0.73 0.05 0.00 0.01 0.00 95.52 0.10 11 S E E 52.81 6.44 20.21 27.56 135.64 0.53 -149.39 151.13 15.59 84.33 0.08 11.12 3.92 0.35 0.01 0.05 0.00 84.25 0.29 12 D C C 61.31 13.71 11.84 25.56 117.38 -167.10 -126.84 115.73 56.62 43.15 0.24 48.68 4.87 0.77 0.04 0.20 0.00 44.91 0.52 13 K C S 139.37 3.34 15.45 19.79 101.78 174.69 -92.61 -6.20 76.84 21.73 1.43 24.19 39.42 13.42 0.14 1.38 0.00 20.34 1.10 14 M C S 98.24 5.13 12.53 19.13 121.01 80.86 -100.88 156.84 76.74 21.13 2.13 24.74 34.13 18.90 0.28 2.02 0.01 16.31 3.62 15 Q C T 139.32 2.44 15.10 18.17 97.25 -96.63 -62.46 -19.40 98.38 0.59 1.03 5.01 38.77 54.67 0.07 0.94 0.00 0.36 0.16 16 K C T 111.92 8.43 15.31 24.26 99.19 15.39 -100.12 5.57 98.50 0.97 0.53 3.63 38.68 56.28 0.02 0.53 0.00 0.75 0.11 17 T E E 32.36 11.25 17.49 30.33 132.67 72.72 -132.54 148.70 20.13 79.82 0.06 15.72 3.91 0.35 0.01 0.05 0.00 79.16 0.80 18 V E E 9.90 19.65 17.04 37.58 125.34 -160.48 -120.41 139.76 3.40 96.60 0.00 3.08 0.10 0.00 0.00 0.00 0.00 96.78 0.04 19 T E E 25.92 10.72 24.64 36.77 119.02 -150.62 -108.34 129.80 0.33 99.67 0.00 0.28 0.00 0.00 0.00 0.00 0.00 99.71 0.00 20 V E E 5.23 23.43 17.56 41.65 121.37 -166.07 -116.03 131.22 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 21 L E E 41.24 9.73 24.52 35.37 116.92 -155.91 -104.59 127.39 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 22 V E E 11.24 20.14 16.38 37.03 123.87 -170.83 -119.53 135.53 0.45 99.55 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.58 0.00 23 E E E 73.84 9.24 20.46 30.47 118.76 -151.46 -104.79 131.72 1.77 98.23 0.00 1.55 0.08 0.00 0.00 0.00 0.00 98.36 0.01 24 R E E 67.41 12.51 15.87 29.29 130.82 174.38 -132.83 149.01 2.36 97.64 0.00 2.08 0.09 0.01 0.00 0.00 0.00 97.80 0.02 25 Q E E 94.18 7.71 16.38 25.30 116.39 -127.25 -96.90 130.73 2.01 97.99 0.00 1.75 0.09 0.01 0.00 0.00 0.00 98.13 0.03 26 F E E 64.32 9.81 14.23 25.83 129.57 174.12 -134.44 148.42 1.51 98.49 0.00 1.27 0.08 0.01 0.00 0.00 0.00 98.61 0.03 27 P E E 84.63 4.01 15.31 20.41 113.37 -106.94 -72.89 137.65 3.86 96.13 0.01 3.52 0.20 0.01 0.00 0.00 0.00 95.97 0.28 28 H C C 41.77 12.70 7.75 21.35 110.31 -133.41 -88.11 118.64 57.55 42.35 0.10 56.34 0.92 0.14 0.03 0.05 0.00 41.40 1.10 29 P C T 109.12 1.44 11.99 14.03 93.23 -149.95 -64.63 -27.83 97.54 0.28 2.18 0.44 3.23 93.92 0.07 2.08 0.00 0.19 0.07 30 L C T 128.47 1.42 11.08 13.12 97.35 48.32 -76.06 -38.41 98.01 0.16 1.83 0.23 2.66 95.27 0.05 1.65 0.00 0.09 0.05 31 Y C T 133.26 3.28 10.09 14.85 101.27 24.55 -105.02 -10.00 98.34 0.18 1.48 0.43 2.65 95.38 0.05 1.34 0.00 0.10 0.04 32 G C T 55.82 1.97 11.67 14.77 95.93 -125.01 72.78 11.77 98.74 0.90 0.36 44.96 6.13 47.62 0.07 0.25 0.00 0.85 0.12 33 K C C 106.84 3.50 11.48 16.93 126.60 121.25 -110.57 153.73 59.35 40.61 0.04 54.70 2.63 0.22 0.00 0.03 0.00 41.96 0.45 34 V E E 87.87 6.74 11.74 20.26 117.64 -126.50 -97.63 132.42 1.17 98.83 0.00 1.08 0.03 0.00 0.00 0.00 0.00 98.80 0.08 35 I E E 59.41 9.05 12.88 23.98 123.30 -169.57 -118.85 138.42 0.37 99.63 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.66 0.00 36 K E E 120.13 6.92 13.96 22.82 120.45 -149.15 -106.33 133.89 0.33 99.67 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.00 37 R E E 95.09 8.46 14.46 24.58 128.62 -177.49 -132.03 146.91 0.45 99.55 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.00 38 S E E 60.01 9.17 14.19 24.69 124.02 -149.27 -115.70 143.33 2.04 97.96 0.00 1.82 0.05 0.00 0.00 0.00 0.00 98.11 0.01 39 K E E 78.38 10.14 15.88 27.16 131.12 -175.60 -134.50 148.64 2.82 97.17 0.00 2.53 0.15 0.01 0.00 0.00 0.00 97.27 0.04 40 K E E 113.11 7.86 18.28 27.39 118.61 -134.42 -100.96 133.24 4.27 95.73 0.00 3.95 0.24 0.01 0.00 0.00 0.00 95.72 0.08 41 Y E E 27.58 18.74 15.92 34.92 130.00 -175.33 -129.49 146.47 5.54 94.46 0.00 5.13 0.27 0.02 0.00 0.00 0.00 94.38 0.19 42 L E E 60.08 10.52 24.16 35.05 119.89 -138.53 -101.40 136.99 8.66 91.33 0.01 8.34 0.35 0.02 0.00 0.00 0.00 90.72 0.56 43 A E E 5.70 23.76 17.29 41.19 127.98 -170.32 -125.00 143.52 26.44 73.53 0.03 25.62 0.79 0.06 0.01 0.02 0.00 72.30 1.20 44 H E E 64.46 10.30 23.91 34.69 119.74 -151.06 -111.21 129.98 35.63 64.31 0.06 32.03 2.92 0.14 0.03 0.05 0.00 56.76 8.08 45 D C C 16.58 19.37 13.75 33.21 111.18 -172.18 -116.80 102.34 94.96 4.98 0.05 93.50 1.74 0.16 0.01 0.04 0.00 3.91 0.65 46 P C T 87.24 4.80 16.97 23.34 93.09 -161.30 -66.59 -26.25 90.47 0.60 8.93 20.12 12.99 55.11 0.30 10.93 0.00 0.36 0.20 47 E C T 131.44 2.02 17.71 19.21 95.87 44.62 -91.60 -0.44 90.19 0.40 9.41 3.56 20.85 64.27 0.20 10.72 0.00 0.22 0.17 48 E C S 91.74 12.53 13.03 25.80 94.68 -120.46 59.58 37.39 91.57 1.69 6.74 31.27 46.96 11.86 0.34 7.86 0.00 0.84 0.86 49 K C C 121.77 4.36 21.74 26.55 102.79 128.79 -94.14 4.62 95.28 4.26 0.46 89.56 3.65 1.90 0.12 0.34 0.00 1.67 2.75 50 Y C C 22.24 23.00 11.08 33.24 129.84 87.53 -121.60 149.13 94.20 5.73 0.06 93.70 1.35 0.11 0.02 0.03 0.00 2.14 2.66 51 K C C 116.44 3.10 24.61 27.99 130.60 -159.60 -125.05 156.27 96.33 3.64 0.03 96.15 0.77 0.07 0.01 0.01 0.00 1.01 1.97 52 L C T 87.76 12.17 15.81 28.23 110.45 -82.60 -59.30 135.23 99.69 0.23 0.08 0.10 1.15 98.59 0.00 0.04 0.00 0.08 0.06 53 G C T 35.23 5.87 20.26 27.43 96.95 26.84 90.65 -7.81 99.93 0.04 0.03 0.14 1.16 98.65 0.00 0.02 0.00 0.02 0.00 54 D C C 26.84 14.69 17.24 33.24 117.90 133.50 -70.72 146.72 97.75 2.25 0.00 97.17 0.84 0.01 0.00 0.00 0.00 1.93 0.05 55 V E E 46.85 10.64 24.16 35.67 117.16 -131.44 -99.24 131.78 0.50 99.50 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.36 0.10 56 V E E 3.99 25.26 16.58 42.48 129.90 -174.63 -126.63 150.24 0.05 99.95 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 57 E E E 56.79 9.43 26.64 37.12 117.86 -133.37 -102.92 131.25 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 58 I E E 8.29 24.64 16.40 41.48 118.57 -154.38 -105.61 128.17 0.20 99.79 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 59 I E E 56.68 9.06 24.05 33.63 129.44 -173.69 -126.98 146.76 0.62 99.38 0.00 0.54 0.02 0.00 0.00 0.00 0.00 99.43 0.01 60 E E E 86.27 12.27 18.25 30.47 115.22 -113.04 -79.39 136.99 2.98 97.00 0.02 2.67 0.16 0.02 0.00 0.01 0.00 97.04 0.10 61 S E E 24.86 14.12 13.56 28.42 132.14 -169.04 -131.13 160.65 45.77 54.13 0.09 42.02 2.28 0.19 0.02 0.06 0.00 54.89 0.55 62 R C C 161.57 2.10 18.40 20.49 115.08 -96.98 -82.54 138.56 72.93 26.73 0.34 48.12 22.10 1.82 0.07 0.30 0.00 26.79 0.79 63 P C C 63.08 11.96 9.86 22.25 112.16 -106.33 -66.05 139.88 80.26 18.47 1.27 57.23 18.57 4.31 0.33 0.97 0.00 16.89 1.70 64 I C S 112.13 3.47 12.86 17.74 99.13 -167.48 -87.33 -29.17 75.09 23.43 1.47 29.58 39.99 6.85 0.48 1.09 0.04 15.32 6.65 65 S C S 51.16 3.28 13.42 17.88 136.20 4.44 -147.90 165.74 81.62 16.87 1.51 32.46 41.29 8.61 0.40 1.20 0.01 10.61 5.42 66 K C S 169.45 1.49 11.79 14.33 92.17 -99.09 -65.60 -24.18 96.92 0.68 2.40 4.06 58.38 35.20 0.47 1.27 0.00 0.38 0.25 67 R C S 163.78 2.05 14.06 16.60 99.66 49.09 -93.26 -11.68 94.59 3.09 2.33 5.11 58.25 32.00 0.46 1.32 0.00 2.29 0.58 68 K C E 75.39 11.06 13.29 25.22 119.14 54.11 -117.95 123.89 50.46 48.15 1.39 39.58 8.60 2.47 0.66 0.86 0.00 44.11 3.71 69 R E E 73.86 11.30 18.12 30.43 128.46 156.50 -126.34 145.43 28.71 70.79 0.49 24.20 3.34 0.60 0.30 0.22 0.00 70.26 1.08 70 F E E 18.96 20.99 16.44 37.50 128.15 -158.10 -119.71 145.67 12.05 87.67 0.28 10.34 1.00 0.17 0.18 0.08 0.00 87.99 0.24 71 R E E 87.54 8.48 25.21 34.33 123.71 -154.21 -118.08 135.94 1.57 98.21 0.22 1.37 0.09 0.02 0.22 0.03 0.00 98.20 0.07 72 V E E 19.70 21.36 14.42 36.07 109.89 -117.46 -75.43 125.15 0.58 99.34 0.08 0.55 0.01 0.00 0.08 0.01 0.00 99.31 0.03 73 L E E 73.21 7.39 20.70 29.07 101.06 176.04 -96.44 -32.85 1.68 98.04 0.28 1.22 0.24 0.06 0.15 0.06 0.00 98.25 0.03 74 R E E 112.78 4.27 23.45 28.37 138.42 -2.32 -152.62 151.08 1.36 98.37 0.27 1.05 0.15 0.04 0.14 0.05 0.00 98.55 0.02 75 L E E 64.72 16.50 15.27 31.12 114.36 -129.96 -95.77 124.60 3.46 96.09 0.45 3.25 0.16 0.06 0.30 0.10 0.00 95.99 0.13 76 V E E 43.53 12.95 15.58 29.36 110.22 -166.25 -96.87 117.05 23.23 73.99 2.79 18.96 3.08 1.26 1.74 0.99 0.00 73.16 0.81 77 E C E 113.71 5.40 18.53 24.73 114.97 -92.78 -92.50 132.00 51.14 43.08 5.78 37.44 9.35 4.12 3.05 2.44 0.02 42.23 1.36 78 S C C 56.33 10.86 13.51 24.67 105.05 -145.57 -83.30 4.40 64.10 11.49 24.41 33.09 14.95 16.25 17.44 7.03 0.10 9.58 1.57 79 G C C 37.63 6.99 15.16 22.93 100.98 48.59 -69.44 -32.34 63.57 4.10 32.33 28.45 15.87 19.62 24.57 7.64 0.07 2.69 1.10 80 R H H 132.04 6.43 16.60 23.65 96.35 54.29 -74.44 -24.31 45.68 3.31 51.01 28.49 9.53 8.85 43.58 6.52 0.04 2.16 0.83 81 M H H 58.51 13.20 13.16 26.65 95.78 65.54 -70.20 -34.61 28.66 2.39 68.96 19.40 5.44 5.30 63.70 3.98 0.02 1.70 0.46 82 D H H 83.66 4.34 18.32 23.11 93.88 57.56 -66.85 -37.40 22.20 2.32 75.48 16.30 3.28 3.97 71.14 3.11 0.01 1.83 0.36 83 L H H 73.81 5.85 17.73 24.52 93.22 52.80 -66.63 -40.28 12.23 1.73 86.04 8.98 1.89 2.51 82.62 2.29 0.01 1.46 0.23 84 V H H 37.04 12.60 15.49 29.04 93.11 50.97 -65.74 -41.46 8.04 1.70 90.26 5.52 1.15 2.01 87.78 1.77 0.01 1.57 0.20 85 E H H 81.02 8.88 17.35 26.99 92.21 51.94 -64.56 -40.10 7.75 1.29 90.97 4.98 1.07 2.21 88.64 1.74 0.01 1.18 0.17 86 K H H 109.54 3.69 18.85 22.76 92.60 51.05 -66.24 -39.99 8.12 1.06 90.81 4.60 1.24 2.75 88.62 1.68 0.01 0.93 0.17 87 Y H H 92.93 6.95 17.60 25.66 93.22 48.73 -68.40 -39.66 9.41 1.29 89.30 5.06 1.42 3.31 87.32 1.58 0.02 1.10 0.20 88 L H H 48.50 10.79 15.46 27.39 93.36 51.97 -65.94 -40.97 11.11 1.71 87.18 6.35 1.57 3.46 85.25 1.64 0.02 1.46 0.25 89 I H H 76.83 5.84 16.56 23.51 93.32 51.02 -67.08 -39.96 13.23 2.45 84.33 8.04 1.88 3.72 82.14 1.82 0.02 2.04 0.34 90 R H H 126.69 3.92 16.64 21.27 93.38 51.66 -68.79 -37.02 17.58 2.08 80.35 10.14 2.42 5.35 78.13 2.02 0.02 1.54 0.38 91 R H H 113.20 7.03 15.16 23.10 94.99 53.14 -71.59 -34.42 21.96 1.45 76.58 11.69 3.69 7.23 73.64 2.46 0.03 0.90 0.37 92 Q H H 94.28 6.49 14.83 22.31 95.60 57.08 -69.53 -33.76 30.74 1.19 68.07 14.81 5.66 10.37 65.52 2.58 0.03 0.64 0.39 93 N H H 90.95 4.71 15.04 20.69 98.35 52.90 -79.18 -17.58 44.41 1.11 54.48 24.59 6.07 13.27 52.24 2.84 0.01 0.59 0.39 94 Y H H 116.19 7.17 13.29 21.57 100.76 70.88 -75.74 -24.97 33.59 1.31 65.10 19.82 6.59 8.24 60.58 3.64 0.02 0.72 0.40 95 E H H 104.07 4.65 15.12 20.77 100.15 70.97 -73.51 -33.27 30.67 1.86 67.47 18.72 5.63 7.72 62.52 3.72 0.03 1.20 0.46 96 S H H 52.65 5.58 14.60 21.40 98.81 54.92 -71.64 -35.61 28.25 1.99 69.76 18.26 4.96 7.04 63.31 4.52 0.03 1.38 0.49 97 L H H 70.42 8.66 11.93 21.70 95.64 58.36 -68.58 -34.21 21.99 1.90 76.11 11.73 4.51 7.96 67.17 6.67 0.08 1.37 0.49 98 S H H 65.97 4.12 13.01 18.42 94.44 55.65 -68.37 -36.16 25.15 1.96 72.89 12.32 4.75 10.10 63.71 7.08 0.10 1.38 0.55 99 K H H 144.91 2.01 12.84 15.52 96.36 54.44 -74.21 -24.75 32.93 2.13 64.94 11.75 7.37 16.16 55.52 6.87 0.25 1.26 0.81 100 R C H 145.99 4.03 10.99 16.37 100.09 55.22 -84.47 -2.55 54.59 1.97 43.43 11.26 11.37 32.62 36.96 5.61 0.24 0.96 0.98 101 G C T 52.17 3.39 11.46 16.34 103.15 -85.39 80.96 4.93 76.96 1.61 21.43 18.49 14.19 44.37 16.84 4.49 0.03 0.80 0.80 102 G C C 47.45 4.43 10.15 16.31 115.59 -145.22 74.04 165.14 84.07 5.89 10.04 45.65 17.75 21.52 5.15 4.30 0.01 3.65 1.98 103 K C C 153.71 2.13 10.74 14.30 110.41 -72.76 -87.99 116.01 84.51 9.38 6.12 74.85 2.73 6.93 3.39 2.11 0.00 6.25 3.74 104 A C C 73.40 5.42 11.19 18.21 108.25 -123.35 -80.96 119.67 99.86 0.13 0.01 99.80 0.07 0.04 0.01 0.00 0.00 0.07 0.01