# 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 73.00 10.96 21.31 32.02 113.90 -157.01 -91.83 129.04 99.80 0.19 0.00 99.80 0.06 0.01 0.00 0.00 0.00 0.12 0.00 1 V E E 14.77 22.07 14.66 36.43 122.80 -154.24 -111.39 135.92 20.86 79.13 0.01 21.28 0.23 0.02 0.00 0.00 0.00 77.93 0.53 2 K E E 79.86 8.75 24.46 33.51 120.07 -158.76 -111.20 132.88 5.91 94.08 0.00 5.28 0.38 0.02 0.00 0.00 0.00 94.22 0.09 3 I E E 11.73 24.06 16.72 40.93 119.93 -158.64 -110.14 129.39 1.45 98.55 0.00 1.36 0.04 0.00 0.00 0.00 0.00 98.58 0.02 4 R E E 72.93 10.13 25.75 36.21 124.19 -171.30 -122.67 136.11 0.58 99.42 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.44 0.01 5 L E E 18.25 22.87 17.67 40.15 120.31 -154.37 -106.28 132.36 0.60 99.40 0.00 0.55 0.01 0.00 0.00 0.00 0.00 99.44 0.00 6 A E E 32.72 10.44 23.16 34.19 130.78 -174.72 -129.57 148.67 0.38 99.61 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.00 7 R E E 101.81 13.64 17.30 30.66 114.55 -117.94 -82.48 131.76 1.13 98.87 0.00 1.06 0.03 0.00 0.00 0.00 0.00 98.86 0.04 8 F E E 75.74 10.66 16.40 27.99 129.39 174.13 -131.49 154.42 15.69 84.30 0.02 13.98 1.02 0.07 0.00 0.01 0.00 84.66 0.25 9 G E E 35.94 4.66 15.53 21.69 130.08 30.00 117.17 -172.30 45.53 54.39 0.09 32.17 12.53 0.90 0.01 0.10 0.00 53.44 0.85 10 S C C 62.61 4.34 13.53 19.16 124.93 -59.28 -112.10 159.95 65.49 33.99 0.52 50.33 13.61 1.86 0.12 0.50 0.00 29.11 4.48 11 K C T 158.71 2.45 11.22 15.27 96.24 -93.10 -63.47 -32.34 98.34 0.51 1.15 1.88 44.72 51.84 0.03 1.11 0.00 0.30 0.12 12 H C T 166.52 0.83 13.92 13.67 96.78 32.69 -82.56 -10.45 98.36 0.36 1.28 2.23 43.83 52.27 0.03 1.33 0.00 0.22 0.09 13 N C S 79.50 5.70 13.68 20.90 113.05 35.30 -128.65 88.89 70.72 28.94 0.34 20.95 48.23 2.23 0.03 0.37 0.00 26.49 1.71 14 P C C 37.29 13.63 13.35 28.05 115.82 -154.14 -70.92 144.76 58.20 41.77 0.03 53.96 1.78 0.15 0.00 0.03 0.00 43.77 0.31 15 H E E 42.54 12.34 19.84 33.33 129.74 -170.72 -127.07 149.05 2.79 97.21 0.00 2.43 0.17 0.01 0.00 0.00 0.00 97.28 0.10 16 Y E E 35.69 18.93 19.10 37.66 126.58 -155.28 -120.21 142.41 0.27 99.73 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 17 R E E 50.95 15.04 24.28 38.94 131.47 -173.83 -132.35 146.18 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 18 I E E 10.41 22.38 21.60 44.00 117.60 -141.44 -105.02 128.48 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 19 V E E 11.48 18.59 25.01 43.49 124.75 -169.25 -119.91 138.76 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 20 V E E 10.05 21.17 23.71 44.67 119.06 -151.49 -107.12 129.64 0.56 99.44 0.00 0.52 0.01 0.00 0.00 0.00 0.00 99.46 0.01 21 T E E 12.61 16.69 20.67 38.03 133.14 174.51 -131.17 155.66 3.65 96.34 0.00 3.51 0.07 0.00 0.00 0.00 0.00 96.27 0.14 22 D E E 33.19 11.07 18.85 31.32 112.43 -104.42 -72.30 140.62 22.06 77.83 0.11 20.61 1.42 0.18 0.03 0.07 0.00 76.60 1.09 23 A C T 55.82 10.67 14.62 26.30 92.29 -129.15 -66.14 -20.89 96.57 1.05 2.37 1.29 12.56 82.98 0.25 1.88 0.00 0.69 0.35 24 R C T 176.58 1.32 16.96 17.47 94.47 60.96 -84.21 -9.72 96.62 0.86 2.52 1.73 13.38 81.65 0.36 1.99 0.00 0.55 0.33 25 R C S 97.28 9.06 10.12 20.44 120.03 82.43 -98.42 140.53 93.64 3.69 2.67 26.00 65.33 2.44 1.05 1.31 0.01 1.41 2.45 26 K C C 120.59 3.44 14.07 18.55 114.47 -112.92 -69.90 154.82 94.18 2.74 3.08 86.42 3.71 3.87 0.88 2.16 0.00 1.34 1.61 27 R C T 145.42 7.72 10.94 19.90 94.22 -104.87 -62.21 -27.28 90.57 1.02 8.42 5.37 13.87 69.72 0.68 9.18 0.00 0.56 0.61 28 D C T 110.72 2.09 15.37 17.70 96.34 55.97 -84.64 0.35 90.15 0.59 9.26 3.18 11.81 73.75 0.63 9.96 0.00 0.32 0.34 29 G C S 30.96 10.88 13.03 24.39 100.29 -109.04 82.40 4.47 92.01 2.50 5.48 40.47 41.49 9.31 0.48 5.85 0.00 1.42 0.97 30 K C C 103.37 6.46 17.42 24.92 114.95 131.91 -84.16 135.59 92.30 7.12 0.58 79.47 11.24 1.57 0.14 0.53 0.00 5.39 1.67 31 Y E E 79.32 14.87 14.29 28.95 118.15 -133.26 -95.74 137.29 48.87 50.94 0.18 46.41 1.91 0.27 0.07 0.13 0.00 46.44 4.76 32 I E E 63.90 13.30 17.86 31.07 101.03 -171.13 -92.73 -29.91 39.66 60.28 0.06 27.84 11.44 0.22 0.01 0.04 0.00 60.15 0.30 33 E E E 75.97 9.08 21.40 30.88 134.72 -5.17 -144.09 147.09 4.57 95.37 0.06 4.04 0.45 0.05 0.01 0.04 0.00 95.27 0.14 34 K E E 98.09 12.72 19.45 31.85 111.18 -120.03 -81.07 124.53 1.25 98.75 0.01 1.39 0.03 0.00 0.00 0.00 0.00 98.46 0.11 35 I E E 18.72 19.79 18.25 38.23 100.93 175.59 -99.48 -24.56 4.31 95.67 0.03 3.44 0.70 0.11 0.00 0.02 0.00 95.67 0.06 36 G E E 6.74 14.11 22.21 37.37 145.37 -40.88 166.75 175.14 3.00 96.98 0.02 2.16 0.72 0.11 0.00 0.02 0.00 96.96 0.04 37 Y E E 73.01 13.48 22.78 36.41 134.25 -112.53 -138.78 151.56 2.05 97.93 0.01 1.86 0.18 0.02 0.00 0.01 0.00 97.78 0.15 38 Y E E 39.50 18.27 17.80 36.18 124.04 -147.57 -118.17 136.75 9.54 90.44 0.02 8.75 0.66 0.03 0.01 0.01 0.00 88.17 2.37 39 D C C 35.90 10.18 18.77 30.72 111.07 -161.23 -114.76 108.24 91.83 8.15 0.02 90.84 1.14 0.08 0.00 0.01 0.00 7.59 0.33 40 P C T 51.51 13.21 14.01 28.38 93.35 -166.66 -66.83 -19.76 98.12 1.09 0.79 7.97 17.17 72.80 0.06 0.91 0.00 0.92 0.16 41 R C T 156.90 2.76 15.82 19.17 95.80 58.72 -85.65 -9.06 98.17 0.87 0.96 5.58 22.05 70.43 0.09 1.04 0.00 0.57 0.24 42 K C C 108.90 6.62 10.98 19.22 112.90 86.32 -94.37 116.43 97.14 1.96 0.90 54.15 37.60 5.26 0.15 0.90 0.00 0.82 1.13 43 T C S 98.51 3.82 12.22 17.60 100.09 -154.70 -84.85 -16.21 99.26 0.51 0.23 42.93 52.00 4.36 0.04 0.21 0.00 0.24 0.21 44 T C S 88.73 2.96 14.77 18.65 115.61 44.70 -114.37 109.68 98.31 1.14 0.55 39.36 56.33 2.75 0.09 0.48 0.00 0.57 0.42 45 P C C 62.35 11.70 11.03 23.34 107.43 -125.86 -65.86 132.39 87.10 2.11 10.80 48.62 15.32 21.16 0.69 12.37 0.00 1.38 0.46 46 D C C 89.95 6.24 16.23 23.38 99.65 70.23 -81.58 -10.19 73.22 12.44 14.35 37.64 16.16 19.25 0.85 14.31 0.00 10.86 0.93 47 W C E 116.89 8.67 17.33 26.77 122.01 52.38 -116.88 132.35 44.41 42.41 13.19 33.69 7.08 5.28 1.69 10.72 0.00 40.07 1.48 48 L E E 28.84 20.05 13.64 33.08 122.34 -166.94 -115.56 134.33 30.81 68.49 0.70 27.37 2.72 0.53 0.28 0.40 0.00 67.13 1.57 49 K E E 113.21 5.86 24.12 31.06 124.42 -167.30 -122.22 136.98 14.31 85.44 0.25 12.85 1.15 0.20 0.15 0.12 0.00 82.98 2.55 50 V E E 16.00 23.33 12.91 35.97 119.80 -150.14 -104.52 132.76 24.64 75.22 0.14 23.69 0.91 0.08 0.12 0.05 0.00 69.32 5.84 51 D C C 61.93 6.83 21.30 29.06 105.31 -133.32 -85.62 102.95 87.49 12.33 0.18 87.63 0.58 0.06 0.12 0.03 0.00 11.14 0.44 52 V H H 54.98 15.42 14.11 29.55 93.80 -169.35 -64.73 -35.63 2.26 0.01 97.73 0.59 0.23 1.13 97.60 0.45 0.00 0.00 0.00 53 E H H 130.17 1.46 21.96 21.72 91.53 54.52 -63.26 -40.85 0.77 0.00 99.23 0.08 0.05 0.54 98.94 0.40 0.00 0.00 0.00 54 R H H 89.59 8.80 19.76 29.17 92.06 48.63 -66.09 -40.28 0.24 0.00 99.76 0.03 0.01 0.15 99.47 0.34 0.00 0.00 0.00 55 A H H 2.47 25.11 13.41 38.91 91.40 51.87 -63.46 -42.88 0.15 0.00 99.85 0.02 0.01 0.08 99.80 0.09 0.00 0.00 0.00 56 R H H 109.90 8.59 21.36 30.26 91.48 51.78 -62.99 -41.60 0.15 0.00 99.85 0.02 0.01 0.10 99.81 0.07 0.00 0.00 0.00 57 Y H H 122.62 2.60 23.31 24.73 91.73 50.25 -64.02 -42.63 0.21 0.00 99.79 0.01 0.01 0.17 99.69 0.13 0.00 0.00 0.00 58 W H H 28.47 17.20 17.36 34.91 92.06 49.75 -64.63 -42.32 0.52 0.00 99.48 0.04 0.02 0.42 99.08 0.44 0.00 0.00 0.00 59 L H H 29.42 19.37 15.16 33.89 91.85 50.48 -64.70 -38.73 1.68 0.00 98.32 0.09 0.07 1.55 96.98 1.31 0.00 0.00 0.00 60 S H H 82.85 2.66 19.45 22.70 90.39 56.47 -67.77 -24.10 12.32 0.01 87.67 0.23 0.34 12.38 85.73 1.29 0.02 0.00 0.01 61 V C T 88.64 4.97 17.50 23.31 95.15 51.93 -92.90 -0.11 78.37 0.05 21.58 0.52 2.32 74.59 21.26 1.23 0.00 0.01 0.06 62 G C T 40.92 6.03 19.87 26.51 100.95 -97.66 94.31 7.13 99.39 0.03 0.58 4.66 2.94 91.84 0.44 0.08 0.00 0.01 0.01 63 A C C 14.78 20.88 12.47 33.07 116.18 156.95 -72.78 142.99 98.68 1.26 0.06 97.41 1.34 0.13 0.02 0.02 0.00 0.75 0.33 64 Q C C 109.39 5.15 25.30 31.21 113.83 -139.37 -100.27 124.86 89.22 10.76 0.02 88.82 1.56 0.05 0.01 0.01 0.00 7.98 1.58 65 P C C 25.04 22.48 13.52 35.26 117.03 -120.79 -69.48 148.55 81.55 18.40 0.04 83.84 0.59 0.03 0.02 0.01 0.00 10.17 5.34 66 T C C 37.27 10.70 17.98 29.77 121.73 -117.57 -76.29 165.41 98.62 1.30 0.07 98.53 0.45 0.03 0.04 0.01 0.00 0.48 0.46 67 D H H 109.70 2.32 19.24 21.94 90.77 -101.44 -59.80 -36.33 1.37 0.00 98.62 0.21 0.24 0.70 98.73 0.11 0.00 0.00 0.00 68 T H H 56.60 7.27 19.88 27.95 91.70 52.86 -64.42 -41.03 0.44 0.00 99.56 0.04 0.03 0.28 99.56 0.09 0.00 0.00 0.00 69 A H H 2.78 24.77 14.62 39.72 91.27 49.14 -64.58 -42.37 0.12 0.00 99.88 0.02 0.00 0.07 99.86 0.06 0.00 0.00 0.00 70 R H H 87.68 13.47 19.32 32.32 91.09 52.00 -61.64 -42.25 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 71 R H H 133.71 1.95 24.15 24.31 91.50 50.25 -63.76 -42.03 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 72 L H H 28.71 13.11 19.59 33.64 91.81 49.45 -64.23 -42.84 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 73 L H H 6.35 23.27 14.76 38.09 91.56 49.22 -64.21 -42.46 0.20 0.00 99.80 0.02 0.01 0.12 99.80 0.05 0.00 0.00 0.00 74 R H H 129.40 6.10 18.74 25.92 91.45 50.30 -63.14 -41.23 0.60 0.00 99.40 0.05 0.02 0.44 99.34 0.15 0.00 0.00 0.00 75 Q H H 125.83 2.10 19.13 21.13 91.62 51.29 -65.47 -33.16 3.49 0.00 96.51 0.07 0.08 3.34 96.31 0.20 0.00 0.00 0.00 76 A C T 35.84 11.89 14.03 26.94 93.13 52.52 -81.31 -11.55 67.71 0.02 32.27 0.28 1.17 65.25 32.79 0.49 0.00 0.00 0.02 77 G C T 37.38 5.05 19.66 25.56 97.02 -113.30 80.13 11.15 97.87 0.03 2.11 2.04 2.77 92.84 2.16 0.16 0.00 0.01 0.01 78 V H H 24.52 14.33 15.64 31.19 95.22 119.09 -72.41 -34.16 32.21 0.27 67.52 18.32 5.10 9.07 64.99 2.26 0.01 0.10 0.15 79 F H H 46.49 16.06 15.30 31.07 94.26 53.92 -69.25 -40.15 10.89 0.18 88.94 4.13 1.88 5.67 85.58 2.56 0.02 0.09 0.07 80 R H H 134.51 3.89 19.17 23.67 92.98 53.65 -64.83 -41.55 3.35 0.07 96.58 1.60 0.49 1.40 93.74 2.69 0.01 0.04 0.02 81 Q H H 99.41 3.49 18.14 21.91 92.71 49.93 -66.11 -40.41 2.80 0.06 97.14 1.04 0.40 1.43 94.76 2.31 0.01 0.04 0.02 82 E H H 68.72 9.48 14.31 24.97 93.17 49.66 -66.66 -39.14 4.32 0.07 95.60 1.46 0.65 2.33 93.15 2.32 0.01 0.04 0.03 83 A H H 43.88 8.98 12.30 22.68 93.88 52.40 -67.50 -36.94 10.67 0.13 89.20 3.41 1.57 5.80 87.10 1.99 0.01 0.06 0.06 84 R H H 159.49 2.11 14.17 16.92 94.27 53.19 -69.80 -32.10 23.52 0.23 76.26 6.23 3.19 14.19 74.08 2.07 0.03 0.09 0.12 85 E H H 134.91 2.36 11.91 15.33 97.84 54.51 -79.28 -14.93 41.55 0.42 58.03 10.91 6.96 24.28 55.28 2.14 0.04 0.15 0.26 86 G C C 50.37 3.98 10.84 16.33 102.91 44.19 -67.19 -6.14 73.29 0.31 26.40 39.86 1.75 29.40 26.99 1.66 0.00 0.13 0.21 87 A C C 68.49 6.35 11.70 19.25 103.50 81.21 -78.36 11.77 99.91 0.03 0.06 99.76 0.08 0.10 0.03 0.00 0.00 0.01 0.01