# 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 107.12 8.03 12.75 21.88 115.68 -157.18 -94.27 131.15 99.90 0.08 0.02 99.86 0.06 0.03 0.01 0.00 0.00 0.04 0.01 1 A C C 62.15 7.12 11.99 20.50 114.95 -137.72 -87.43 134.48 93.17 4.92 1.91 90.04 0.86 2.98 0.98 0.54 0.00 3.52 1.07 2 R C C 149.22 5.36 14.17 21.27 116.30 -145.42 -97.53 129.23 84.02 13.52 2.45 66.33 13.69 3.79 1.47 1.09 0.00 10.58 3.06 3 V C C 35.67 15.21 12.22 27.93 121.28 -158.24 -111.23 135.71 86.58 11.94 1.48 79.76 6.39 0.76 1.15 0.42 0.00 9.23 2.30 4 T C C 55.47 5.14 22.50 27.55 122.43 -140.14 -89.92 159.33 85.33 12.75 1.92 83.86 1.98 0.39 1.93 0.21 0.00 7.67 3.96 5 V H H 32.99 19.86 13.35 32.77 91.73 -111.85 -58.54 -38.78 3.71 0.04 96.24 1.22 0.65 1.83 95.43 0.83 0.01 0.02 0.01 6 Q H H 111.30 3.50 20.15 24.24 91.68 53.29 -62.88 -40.75 2.05 0.02 97.93 0.38 0.23 1.36 97.19 0.83 0.01 0.01 0.00 7 D H H 67.95 3.80 20.75 24.60 92.25 48.62 -66.50 -39.28 1.67 0.03 98.31 0.38 0.19 1.05 97.21 1.14 0.00 0.02 0.00 8 A H H 5.24 19.82 13.30 33.80 91.88 52.57 -63.98 -42.82 1.33 0.02 98.64 0.41 0.18 0.70 98.25 0.44 0.00 0.01 0.00 9 V H H 37.54 13.57 14.93 29.11 92.10 50.55 -63.86 -41.07 1.19 0.02 98.79 0.30 0.15 0.67 98.51 0.34 0.00 0.01 0.00 10 E H H 148.58 0.91 19.51 18.35 92.29 49.33 -65.54 -38.99 1.61 0.02 98.37 0.24 0.14 1.13 97.96 0.50 0.01 0.01 0.00 11 K H H 120.83 4.31 16.98 22.20 95.96 42.68 -76.89 -38.40 3.30 0.01 96.69 0.15 0.25 2.84 96.35 0.40 0.01 0.00 0.00 12 I H H 43.22 14.58 11.94 26.67 101.48 27.75 -101.31 -17.98 10.59 0.05 89.36 1.00 1.73 7.31 89.62 0.29 0.02 0.01 0.03 13 G C S 53.70 2.20 18.59 20.86 97.85 -127.00 78.54 0.87 99.39 0.11 0.50 40.30 45.91 13.24 0.29 0.16 0.00 0.05 0.06 14 N C S 64.51 5.63 18.48 25.20 136.09 32.22 -145.84 155.44 98.32 0.70 0.98 48.53 48.85 0.78 0.87 0.14 0.00 0.13 0.70 15 R H H 104.91 13.92 15.40 29.08 92.72 -119.45 -63.12 -36.19 2.53 0.00 97.47 0.26 0.43 1.64 97.26 0.41 0.00 0.00 0.00 16 F H H 114.36 6.79 20.77 27.50 91.68 55.45 -63.95 -41.65 1.50 0.00 98.50 0.11 0.10 1.19 98.13 0.47 0.00 0.00 0.00 17 D H H 50.78 8.96 21.62 31.36 91.66 49.40 -65.71 -40.57 0.21 0.00 99.79 0.03 0.01 0.12 99.59 0.24 0.00 0.00 0.00 18 L H H 9.78 21.71 17.82 39.51 91.32 51.42 -63.12 -43.19 0.05 0.00 99.95 0.00 0.00 0.03 99.94 0.03 0.00 0.00 0.00 19 V H H 35.69 15.32 22.83 37.89 91.69 49.82 -64.22 -42.65 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 20 L H H 72.69 6.41 26.77 33.21 91.52 49.77 -63.53 -42.42 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.01 0.00 0.00 0.00 21 V H H 21.61 14.56 24.07 39.11 91.45 49.38 -64.26 -43.23 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 22 A H H 5.02 22.48 21.30 43.55 91.31 50.62 -63.43 -42.74 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 23 A H H 34.77 10.97 24.65 35.83 91.20 51.20 -62.97 -42.36 0.15 0.00 99.85 0.01 0.00 0.11 99.86 0.02 0.00 0.00 0.00 24 R H H 108.71 5.38 27.19 32.99 91.67 49.56 -64.53 -42.00 0.33 0.00 99.67 0.01 0.01 0.23 99.73 0.02 0.00 0.00 0.00 25 R H H 41.69 16.32 22.56 38.45 91.85 49.73 -64.76 -41.95 0.30 0.00 99.70 0.03 0.01 0.17 99.77 0.03 0.00 0.00 0.00 26 A H H 12.23 17.88 19.28 37.35 91.45 51.99 -62.46 -42.47 0.25 0.00 99.75 0.04 0.01 0.12 99.78 0.05 0.00 0.00 0.00 27 R H H 119.83 4.23 24.61 28.47 91.57 50.25 -63.60 -41.01 0.38 0.00 99.62 0.04 0.02 0.25 99.55 0.14 0.00 0.00 0.00 28 Q H H 66.40 6.87 20.07 27.83 91.84 50.51 -64.82 -40.80 0.84 0.00 99.16 0.09 0.06 0.60 98.87 0.38 0.00 0.00 0.00 29 M H H 36.23 16.01 13.92 30.09 92.22 51.00 -65.35 -38.67 2.37 0.01 97.62 0.27 0.17 1.78 96.95 0.82 0.00 0.00 0.00 30 Q H H 105.44 6.82 16.40 24.30 92.16 53.46 -68.50 -28.48 9.79 0.03 90.18 0.61 0.62 8.30 89.62 0.81 0.01 0.01 0.01 31 V C T 105.80 2.12 14.99 17.17 97.73 52.62 -87.91 -4.65 57.11 0.14 42.75 2.37 5.24 46.98 43.91 1.32 0.02 0.04 0.11 32 G C T 54.32 2.92 13.79 17.79 102.63 -93.23 87.09 8.51 90.95 0.16 8.88 13.66 9.84 66.82 8.35 1.15 0.00 0.07 0.12 33 G C C 38.64 7.67 10.45 19.42 116.62 157.39 -75.95 167.67 96.82 0.43 2.75 64.45 18.95 13.38 0.80 1.91 0.00 0.18 0.33 34 K C C 152.07 2.80 13.81 17.90 101.40 -129.51 -81.90 -13.34 97.22 0.75 2.03 45.35 44.58 7.33 0.56 1.34 0.00 0.29 0.55 35 D C C 104.95 3.09 15.85 19.88 108.91 38.21 -102.08 101.07 98.07 0.73 1.20 59.42 35.21 3.37 0.31 0.90 0.00 0.32 0.46 36 P C C 51.88 14.67 10.59 25.21 114.15 -148.07 -68.00 144.17 94.36 0.71 4.93 73.82 8.90 10.49 0.86 5.14 0.00 0.37 0.43 37 L C C 98.00 6.36 17.43 24.65 97.06 -142.83 -80.33 -15.07 95.77 1.14 3.09 41.67 41.57 12.10 0.58 2.83 0.00 0.46 0.79 38 V C S 38.16 14.15 10.24 24.94 118.75 69.72 -108.52 128.23 98.02 1.21 0.77 27.84 69.18 1.14 0.38 0.26 0.00 0.37 0.84 39 P C C 77.72 4.12 15.09 20.34 112.29 -113.50 -66.99 148.42 95.91 0.55 3.55 87.09 5.29 3.64 0.92 2.44 0.00 0.28 0.33 40 E C C 131.14 5.49 10.85 18.01 100.09 -112.27 -70.12 -18.43 70.38 0.67 28.95 29.86 15.09 24.32 3.60 26.36 0.00 0.31 0.46 41 E C T 146.72 1.77 13.07 15.50 99.50 67.35 -80.94 -4.20 68.88 0.66 30.46 22.48 14.85 30.71 3.36 27.85 0.00 0.31 0.44 42 N C C 91.42 6.54 11.51 19.34 104.21 58.84 -94.95 53.33 74.50 0.65 24.85 37.96 15.41 19.09 2.86 23.91 0.00 0.29 0.46 43 D C C 76.10 9.17 12.57 22.71 107.30 143.81 -88.69 64.72 91.84 0.47 7.69 56.85 24.32 10.40 2.54 5.22 0.00 0.16 0.52 44 K C C 102.62 5.77 19.40 25.64 116.31 127.66 -82.93 143.27 94.03 0.66 5.31 65.67 26.52 1.33 5.23 0.51 0.00 0.14 0.59 45 T H H 42.59 16.41 16.85 32.87 92.66 -118.59 -60.46 -37.41 2.49 0.01 97.51 0.56 0.49 1.19 97.53 0.22 0.00 0.00 0.00 46 T H H 33.12 17.04 19.88 36.10 91.92 53.80 -64.13 -40.76 0.90 0.00 99.10 0.15 0.08 0.52 99.08 0.16 0.00 0.00 0.00 47 V H H 44.55 9.07 23.51 33.24 91.70 49.37 -64.49 -42.43 0.20 0.00 99.80 0.04 0.01 0.11 99.74 0.11 0.00 0.00 0.00 48 I H H 27.97 12.46 23.36 36.66 91.64 49.32 -63.48 -43.44 0.04 0.00 99.96 0.00 0.00 0.02 99.95 0.02 0.00 0.00 0.00 49 A H H 4.24 21.78 20.40 42.41 91.38 50.25 -62.42 -43.67 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 50 L H H 32.23 15.75 23.36 38.83 91.39 49.82 -63.43 -41.85 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.01 0.00 0.00 0.00 51 R H H 96.49 6.45 25.58 32.46 91.74 49.98 -64.41 -42.11 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 52 E H H 24.59 13.56 19.79 34.45 92.05 49.41 -64.39 -42.61 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 53 I H H 19.98 19.24 16.03 35.32 91.98 49.20 -64.30 -42.82 0.28 0.00 99.72 0.01 0.01 0.21 99.69 0.08 0.00 0.00 0.00 54 E H H 105.04 7.50 18.18 26.49 90.99 51.20 -64.64 -34.33 2.47 0.00 97.53 0.04 0.04 2.46 97.32 0.13 0.00 0.00 0.00 55 E C T 117.17 3.25 17.60 21.16 92.00 51.37 -84.22 -5.34 77.64 0.00 22.36 0.13 0.51 76.44 22.64 0.28 0.00 0.00 0.01 56 G C T 44.76 6.84 15.37 23.58 94.14 -114.31 76.83 15.91 99.68 0.00 0.31 0.44 0.91 98.46 0.17 0.02 0.00 0.00 0.00 57 L C S 67.80 9.16 17.43 27.80 95.14 127.04 -79.13 -18.34 99.13 0.33 0.55 36.87 59.86 2.42 0.29 0.25 0.00 0.11 0.21 58 I C S 20.11 21.86 11.87 32.99 121.76 60.15 -114.14 130.50 91.37 7.27 1.36 34.56 53.75 3.12 0.70 0.55 0.00 2.21 5.10 59 N C C 69.67 6.36 21.40 28.18 133.14 173.46 -133.28 160.71 93.41 4.64 1.96 86.52 5.23 1.74 0.91 0.92 0.00 2.63 2.05 60 N C T 91.59 11.39 14.04 25.77 94.25 -109.32 -73.20 -12.34 61.60 1.74 36.66 15.06 15.00 32.45 7.56 28.05 0.02 0.93 0.92 61 Q C T 134.32 1.97 18.10 20.08 95.71 75.26 -76.18 -14.95 61.07 2.02 36.92 13.41 14.10 34.53 8.02 27.81 0.04 1.13 0.95 62 I C G 72.27 10.80 14.41 25.69 98.76 55.86 -89.45 -11.38 58.95 3.82 37.23 25.80 15.64 18.95 9.60 26.28 0.04 1.95 1.74 63 L C C 37.94 18.03 9.46 26.29 117.90 88.29 -95.13 136.61 89.28 2.05 8.67 54.71 31.72 2.91 6.45 2.11 0.00 0.72 1.37 64 D C C 73.22 3.58 17.46 21.33 118.43 -130.48 -83.54 154.91 93.94 0.86 5.20 90.43 2.57 1.15 4.47 0.59 0.00 0.32 0.48 65 V H H 92.28 5.39 12.73 19.93 92.03 -112.48 -59.67 -37.03 5.98 0.05 93.98 2.40 1.04 2.70 91.85 1.97 0.00 0.02 0.02 66 R H H 159.64 1.21 15.82 16.19 91.88 53.17 -64.51 -39.82 4.12 0.03 95.85 1.00 0.52 2.51 93.41 2.52 0.00 0.02 0.01 67 E H H 81.34 5.20 14.34 21.11 92.46 48.77 -66.76 -38.90 3.65 0.04 96.31 1.40 0.44 1.80 93.51 2.80 0.00 0.03 0.01 68 R H H 86.46 9.70 13.10 23.93 91.81 52.96 -63.33 -41.37 1.98 0.01 98.00 0.97 0.23 0.74 97.36 0.70 0.00 0.01 0.00 69 Q H H 99.36 2.27 17.11 19.22 91.85 50.48 -64.06 -41.15 1.24 0.01 98.75 0.44 0.12 0.56 98.55 0.33 0.00 0.00 0.00 70 E H H 101.72 2.05 17.74 19.12 91.78 49.88 -64.85 -40.99 1.39 0.01 98.61 0.42 0.13 0.68 98.46 0.32 0.00 0.00 0.00 71 Q H H 65.96 7.25 14.94 23.78 92.26 50.34 -64.67 -40.91 1.24 0.00 98.75 0.36 0.12 0.59 98.69 0.24 0.00 0.00 0.00 72 Q H H 85.13 5.48 16.11 22.77 91.90 50.56 -64.16 -40.70 0.87 0.00 99.12 0.25 0.08 0.39 99.14 0.14 0.00 0.00 0.00 73 E H H 117.73 1.60 18.04 18.49 92.08 50.05 -65.03 -40.80 0.73 0.00 99.27 0.18 0.06 0.35 99.29 0.13 0.00 0.00 0.00 74 Q H H 100.46 2.72 17.37 20.15 92.22 49.25 -65.46 -41.23 0.75 0.00 99.25 0.16 0.06 0.38 99.27 0.13 0.00 0.00 0.00 75 E H H 80.96 6.29 15.69 23.26 91.96 49.57 -64.91 -41.05 0.91 0.00 99.09 0.20 0.08 0.46 99.14 0.12 0.00 0.00 0.00 76 A H H 53.31 3.32 16.87 20.88 91.82 51.20 -63.57 -41.36 0.87 0.00 99.13 0.18 0.07 0.44 99.20 0.12 0.00 0.00 0.00 77 A H H 55.64 2.36 17.53 19.61 91.76 50.29 -64.21 -41.36 0.83 0.00 99.17 0.17 0.06 0.43 99.19 0.15 0.00 0.00 0.00 78 E H H 96.69 4.49 17.05 22.25 91.99 50.08 -64.72 -40.58 1.07 0.00 98.93 0.21 0.07 0.59 98.94 0.19 0.00 0.00 0.00 79 L H H 76.47 6.16 15.89 23.27 92.15 50.29 -64.79 -40.67 0.96 0.00 99.04 0.20 0.07 0.50 99.01 0.21 0.00 0.00 0.00 80 Q H H 112.34 1.96 18.41 19.80 91.80 50.81 -64.32 -40.84 1.05 0.00 98.94 0.21 0.08 0.56 98.91 0.22 0.00 0.00 0.00 81 A H H 55.13 3.20 17.12 20.68 92.00 50.57 -64.53 -41.09 1.76 0.01 98.23 0.38 0.14 1.00 98.09 0.37 0.00 0.00 0.00 82 V H H 61.01 6.47 15.69 23.41 92.17 49.22 -65.11 -41.36 1.91 0.01 98.08 0.50 0.20 1.03 97.75 0.51 0.00 0.01 0.00 83 T H H 64.61 4.08 15.86 21.07 91.85 51.13 -64.15 -40.94 2.86 0.03 97.11 0.82 0.32 1.55 96.40 0.88 0.00 0.01 0.01 84 A H H 59.97 2.16 15.53 17.69 92.06 51.35 -64.77 -40.39 6.85 0.06 93.09 1.60 0.71 4.39 91.37 1.86 0.01 0.04 0.02 85 I H H 95.71 3.33 13.95 18.03 93.16 49.58 -67.50 -38.22 11.77 0.14 88.09 3.13 1.56 7.22 85.65 2.28 0.02 0.08 0.05 86 A H H 57.33 5.41 11.00 17.97 94.29 53.64 -69.68 -29.31 24.47 0.36 75.17 7.75 4.11 13.38 71.77 2.61 0.04 0.16 0.18 87 E C H 135.41 2.06 11.31 14.35 98.00 59.47 -77.95 -8.47 55.17 0.59 44.25 10.49 7.84 36.80 40.73 3.50 0.05 0.25 0.34 88 G C T 56.94 2.15 10.30 13.80 102.65 -9.80 55.13 6.88 76.66 0.76 22.58 23.34 11.98 41.70 18.82 3.43 0.01 0.32 0.41 89 R C C 163.63 2.55 8.43 12.75 107.92 121.90 -87.99 94.72 90.96 0.95 8.09 78.09 1.76 11.53 6.26 1.33 0.00 0.47 0.54 90 R C C 161.52 3.14 10.43 15.46 110.48 -152.46 -91.16 116.67 99.94 0.04 0.02 99.87 0.06 0.04 0.01 0.00 0.00 0.02 0.00