# 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 117.92 5.53 11.48 18.64 114.84 -163.43 -98.02 136.83 99.79 0.20 0.01 99.69 0.15 0.04 0.00 0.00 0.00 0.08 0.04 1 S C C 78.50 3.25 10.33 15.50 117.68 -125.73 -88.74 147.32 96.71 2.75 0.55 94.46 1.49 1.03 0.20 0.18 0.00 1.18 1.45 2 A C C 73.93 4.39 9.98 16.23 115.51 -102.37 -74.68 147.96 97.64 1.52 0.85 73.11 21.19 3.40 0.25 0.56 0.00 0.84 0.65 3 P C C 92.45 4.76 10.86 17.41 112.60 -102.69 -69.23 147.97 96.61 1.60 1.80 67.91 24.38 4.40 0.60 1.10 0.00 0.80 0.81 4 T C C 92.55 4.38 12.88 19.09 116.06 -106.60 -83.91 139.52 94.24 3.44 2.32 70.80 21.37 2.20 1.17 1.08 0.00 1.78 1.60 5 P C C 65.48 11.29 11.16 23.08 113.26 -106.16 -66.41 145.11 89.88 4.62 5.50 76.27 7.57 6.02 1.80 3.65 0.00 2.97 1.71 6 R C C 156.22 4.67 15.08 21.13 103.02 -152.58 -91.56 6.94 80.70 12.42 6.88 49.96 19.32 10.92 1.98 5.12 0.01 7.43 5.26 7 T C C 66.41 8.25 14.18 23.46 118.82 58.81 -113.95 144.45 74.61 19.27 6.11 37.03 25.32 13.23 1.64 4.36 0.05 12.92 5.45 8 G C C 37.55 8.13 16.24 25.00 113.27 -114.42 77.52 144.60 74.95 20.98 4.07 41.82 22.72 11.35 1.06 3.04 0.02 16.76 3.24 9 I C C 69.20 11.55 14.12 26.35 121.10 -7.80 -106.91 137.62 58.81 37.68 3.51 43.72 10.78 3.48 1.92 1.99 0.05 28.41 9.64 10 I C C 78.82 9.00 15.04 25.28 115.88 -138.97 -94.29 131.73 52.71 43.15 4.14 38.01 10.16 4.26 2.38 2.31 0.07 32.44 10.36 11 A C C 53.19 8.96 12.80 23.01 123.89 -169.16 -122.38 138.83 56.61 36.79 6.60 28.77 19.14 11.06 2.71 4.12 0.22 26.03 7.94 12 G C S 45.20 3.79 15.39 20.11 118.52 20.41 82.52 -154.01 74.28 11.52 14.20 15.86 30.09 29.72 1.58 11.78 0.06 8.18 2.73 13 F C T 151.96 3.54 13.79 18.39 95.02 -22.62 -75.27 -20.79 79.50 3.81 16.70 7.10 21.25 50.91 1.46 15.47 0.02 2.49 1.30 14 N C T 79.40 8.11 11.08 20.32 102.25 51.43 -103.78 33.97 71.83 11.64 16.53 12.06 18.81 41.80 1.57 14.97 0.06 7.81 2.93 15 K C T 137.29 4.64 12.34 19.14 110.50 136.94 -62.53 128.82 81.30 13.62 5.08 8.63 11.00 61.98 0.83 4.26 0.01 10.61 2.66 16 G C T 52.72 3.27 15.65 19.74 95.68 16.75 85.35 -1.76 84.73 12.94 2.33 10.74 14.27 59.68 0.25 2.27 0.00 11.93 0.86 17 H C C 76.91 9.58 12.49 23.57 117.91 123.35 -84.18 140.73 60.87 37.97 1.16 45.08 13.12 2.65 0.35 0.99 0.00 32.91 4.90 18 V E E 83.80 6.40 17.19 24.71 115.58 -129.83 -87.86 134.17 27.33 72.10 0.56 23.43 1.87 0.37 0.46 0.22 0.00 46.65 26.98 19 T C C 44.61 14.68 11.67 26.40 117.47 -148.99 -97.65 136.67 65.59 33.52 0.89 56.13 7.06 1.46 0.40 0.59 0.00 29.69 4.67 20 T C C 58.06 8.37 14.24 23.96 122.39 -146.21 -108.44 146.40 80.61 18.34 1.05 64.77 13.01 2.38 0.39 0.75 0.00 14.93 3.77 21 R C C 165.06 3.72 13.43 18.82 105.88 -127.81 -82.04 61.90 91.57 7.36 1.07 53.80 34.67 3.55 0.30 0.77 0.00 5.16 1.76 22 R C C 140.12 4.22 10.90 17.03 117.09 87.24 -94.17 134.56 96.36 2.97 0.68 57.54 36.71 2.39 0.18 0.48 0.00 1.76 0.94 23 P C C 102.50 3.27 11.37 16.40 110.69 -110.71 -70.47 142.25 96.55 2.18 1.27 79.65 12.17 4.61 0.25 1.12 0.00 1.34 0.86 24 R C C 137.54 6.34 9.03 16.87 116.79 -118.47 -88.47 140.77 96.55 2.35 1.10 75.24 18.07 2.92 0.26 0.87 0.00 0.99 1.64 25 Q C C 135.42 1.77 13.45 16.08 116.18 -109.02 -82.97 144.42 99.06 0.79 0.15 77.99 20.49 0.62 0.04 0.09 0.00 0.32 0.44 26 P C C 82.79 6.85 10.28 18.89 114.72 -102.53 -64.62 145.73 98.84 0.95 0.21 86.20 11.71 0.83 0.06 0.14 0.00 0.34 0.72 27 S C C 46.53 7.05 10.05 18.99 117.52 -122.23 -86.84 145.00 98.89 0.83 0.27 89.88 8.40 0.46 0.11 0.13 0.00 0.23 0.79 28 P C G 97.09 3.26 11.52 16.36 93.38 -110.52 -61.50 -29.65 55.26 0.76 43.98 20.34 8.97 25.55 6.29 38.06 0.00 0.38 0.39 29 N C G 113.70 2.74 11.17 15.27 95.03 59.12 -75.81 -15.17 50.67 0.55 48.78 9.35 8.66 31.92 7.80 41.67 0.01 0.28 0.31 30 D H G 88.30 5.56 11.10 18.09 100.35 56.81 -92.68 10.03 47.43 1.22 51.35 17.57 11.02 20.09 9.04 41.06 0.01 0.60 0.61 31 R C C 121.53 7.54 10.38 19.26 109.51 105.34 -88.40 109.29 69.57 2.00 28.43 43.60 12.39 13.44 10.95 17.36 0.01 0.88 1.37 32 F C C 143.08 3.65 12.66 17.63 104.46 94.48 -90.76 8.40 82.77 2.84 14.39 41.82 20.27 21.23 7.18 6.46 0.01 1.15 1.89 33 A C C 57.36 7.12 11.67 20.00 120.92 62.61 -100.86 155.05 89.77 2.13 8.10 38.69 33.01 18.48 3.30 4.28 0.00 0.96 1.28 34 V C C 101.28 3.55 14.29 19.08 116.00 -95.99 -86.29 135.17 93.41 2.65 3.94 71.25 18.94 3.03 2.55 1.41 0.00 1.12 1.71 35 P C C 64.07 11.89 9.56 21.83 111.74 -109.23 -68.09 139.90 94.21 2.64 3.15 82.14 9.49 2.41 2.15 0.99 0.00 1.14 1.69 36 H C C 96.36 4.44 13.62 19.29 121.08 -143.67 -88.39 161.02 93.24 2.89 3.86 82.32 9.16 1.11 3.77 0.49 0.00 0.78 2.38 37 K H H 156.14 1.47 13.69 15.63 92.28 -103.99 -60.35 -37.62 4.79 0.03 95.18 1.01 1.04 2.64 94.33 0.95 0.01 0.01 0.01 38 H H H 114.55 3.51 14.95 19.35 92.19 52.32 -65.43 -39.48 3.85 0.03 96.12 0.77 0.46 2.52 94.99 1.23 0.01 0.01 0.01 39 L H H 35.11 13.74 12.53 26.92 92.45 49.68 -66.45 -40.38 1.82 0.02 98.15 0.51 0.21 1.01 97.11 1.13 0.00 0.01 0.00 40 R H H 117.46 6.41 16.88 24.34 91.65 52.43 -63.28 -41.20 0.62 0.01 99.37 0.17 0.07 0.29 99.20 0.27 0.00 0.00 0.00 41 A H H 60.51 2.60 19.67 21.67 91.93 50.45 -64.44 -41.94 0.63 0.00 99.37 0.13 0.05 0.36 99.24 0.21 0.00 0.00 0.00 42 V H H 47.29 10.11 18.20 29.15 92.10 48.87 -65.23 -42.03 0.40 0.00 99.60 0.07 0.03 0.25 99.52 0.14 0.00 0.00 0.00 43 K H H 58.33 15.21 16.84 31.72 91.76 51.43 -63.28 -41.21 0.29 0.00 99.71 0.04 0.02 0.17 99.68 0.09 0.00 0.00 0.00 44 A H H 53.60 4.75 20.57 25.77 91.70 51.21 -64.32 -40.37 0.59 0.00 99.41 0.07 0.03 0.37 99.39 0.13 0.00 0.00 0.00 45 I H H 77.03 4.57 20.73 25.50 91.94 49.71 -64.93 -42.21 0.92 0.01 99.07 0.10 0.07 0.64 99.01 0.17 0.00 0.00 0.00 46 I H H 26.61 14.76 15.94 31.57 92.18 49.45 -65.13 -42.46 1.66 0.02 98.31 0.22 0.19 1.14 98.20 0.23 0.01 0.01 0.01 47 A H H 34.74 11.70 15.10 27.63 92.10 51.44 -64.18 -40.70 2.55 0.02 97.43 0.37 0.25 1.76 97.21 0.39 0.01 0.01 0.01 48 D H H 105.56 1.96 18.38 20.12 93.60 47.67 -69.29 -37.74 4.67 0.02 95.31 0.31 0.34 4.04 94.71 0.55 0.02 0.01 0.01 49 L H H 92.15 5.95 16.71 23.30 98.98 38.61 -82.95 -37.92 12.31 0.04 87.65 0.32 0.88 11.37 86.73 0.62 0.05 0.01 0.02 50 V H H 55.74 10.92 14.24 25.93 100.94 24.63 -103.25 -12.84 27.42 0.19 72.38 1.36 5.35 20.47 71.82 0.72 0.10 0.05 0.14 51 G C C 44.74 3.93 18.56 23.07 97.63 -114.99 81.79 8.05 98.86 0.35 0.79 44.42 35.76 18.75 0.33 0.39 0.00 0.16 0.18 52 L C C 48.48 13.79 12.70 27.00 122.10 116.51 -104.45 144.67 96.61 2.00 1.38 71.28 22.91 1.93 0.91 0.42 0.00 0.60 1.95 53 S C C 36.81 8.23 17.90 27.48 119.69 -121.57 -77.85 158.21 93.07 0.31 6.62 80.73 9.55 1.71 7.22 0.46 0.00 0.09 0.24 54 P H H 63.77 8.80 18.37 28.32 92.29 -106.24 -59.92 -35.78 17.34 0.08 82.59 3.10 2.78 11.53 80.14 2.34 0.03 0.03 0.05 55 L H H 53.17 13.40 19.00 32.35 92.00 54.30 -65.22 -37.96 11.38 0.07 88.55 1.89 1.32 8.11 86.04 2.53 0.03 0.03 0.04 56 E H H 53.98 14.61 18.85 33.17 92.52 51.86 -65.44 -39.98 3.77 0.03 96.20 1.28 0.48 1.93 94.45 1.84 0.00 0.02 0.01 57 K H H 91.18 8.51 21.70 30.37 92.10 51.38 -65.09 -41.13 0.99 0.00 99.01 0.29 0.10 0.46 98.64 0.50 0.00 0.00 0.00 58 R H H 91.00 10.01 22.33 32.35 92.01 50.37 -64.77 -41.01 0.84 0.00 99.15 0.17 0.07 0.49 98.77 0.50 0.00 0.00 0.00 59 V H H 17.10 18.74 18.99 37.67 92.23 50.12 -64.57 -42.11 0.79 0.00 99.21 0.11 0.05 0.49 98.82 0.51 0.00 0.00 0.00 60 Q H H 54.06 11.41 21.37 33.11 91.54 51.35 -63.26 -41.79 0.61 0.00 99.38 0.07 0.04 0.41 99.01 0.46 0.00 0.00 0.00 61 E H H 74.21 5.98 22.75 29.09 91.74 50.91 -64.38 -41.46 0.98 0.00 99.02 0.07 0.06 0.76 98.30 0.81 0.00 0.00 0.00 62 F H H 37.35 13.90 18.32 32.94 91.92 50.33 -65.09 -41.53 1.05 0.00 98.95 0.07 0.06 0.81 97.60 1.45 0.00 0.00 0.00 63 L H H 36.99 15.65 16.05 31.72 92.17 50.53 -66.03 -38.01 2.89 0.01 97.10 0.22 0.19 2.35 94.97 2.26 0.01 0.00 0.00 64 R H H 145.71 3.99 19.50 23.94 93.44 48.17 -70.48 -33.66 11.59 0.02 88.39 0.47 0.65 10.52 86.73 1.59 0.02 0.00 0.01 65 V H H 79.88 5.16 16.44 22.47 99.19 39.05 -94.31 -16.66 33.37 0.20 66.43 2.59 5.11 25.62 64.97 1.41 0.08 0.06 0.15 66 G C C 27.79 13.58 10.56 23.74 108.23 105.16 -71.62 105.91 90.42 0.70 8.87 43.05 15.75 32.12 5.66 2.64 0.00 0.27 0.52 67 K C S 160.03 1.74 17.16 18.81 96.95 -150.87 -80.19 -6.12 94.97 0.63 4.40 35.85 37.59 21.83 1.66 2.39 0.00 0.25 0.43 68 E C C 69.11 11.41 11.63 24.03 107.62 97.73 -88.30 105.31 94.82 0.62 4.57 79.04 11.99 3.88 2.85 1.49 0.00 0.20 0.54 69 K H H 135.06 4.12 15.81 21.87 94.49 -170.16 -66.61 -33.61 13.24 0.07 86.69 5.74 3.31 4.10 85.56 1.23 0.00 0.02 0.03 70 R H H 129.08 3.44 19.95 23.40 92.33 56.31 -64.95 -40.52 3.90 0.01 96.08 0.73 0.47 2.51 94.88 1.39 0.01 0.01 0.00 71 A H H 11.46 16.14 15.69 32.82 91.86 50.18 -64.53 -42.02 1.85 0.01 98.14 0.47 0.18 1.05 96.78 1.50 0.00 0.01 0.00 72 L H H 28.95 15.31 16.47 32.31 91.44 51.51 -62.92 -41.68 0.77 0.01 99.23 0.20 0.08 0.39 98.65 0.68 0.00 0.00 0.00 73 K H H 112.34 2.52 23.87 25.21 91.78 50.42 -63.90 -42.21 0.67 0.01 99.32 0.15 0.06 0.36 99.24 0.19 0.00 0.00 0.00 74 Y H H 70.21 7.41 21.04 29.41 91.80 49.35 -64.27 -42.64 0.68 0.01 99.32 0.11 0.06 0.40 99.23 0.20 0.00 0.00 0.00 75 C H H 6.35 19.80 13.95 34.54 91.32 50.39 -63.77 -42.50 0.70 0.01 99.30 0.12 0.07 0.39 99.31 0.11 0.00 0.00 0.00 76 K H H 89.08 9.67 16.61 26.97 91.75 50.82 -63.75 -40.31 0.60 0.00 99.40 0.08 0.04 0.37 99.39 0.11 0.00 0.00 0.00 77 K H H 151.25 1.19 19.01 18.84 92.23 49.62 -66.20 -38.69 1.06 0.00 98.94 0.05 0.05 0.87 98.83 0.19 0.00 0.00 0.00 78 R H H 126.01 5.70 16.86 23.50 97.08 39.00 -79.67 -38.41 3.53 0.00 96.47 0.07 0.16 3.36 96.16 0.24 0.01 0.00 0.00 79 L H H 52.17 11.96 12.43 25.14 101.70 24.85 -106.16 -16.43 10.97 0.03 88.99 0.50 1.42 8.72 89.08 0.23 0.02 0.01 0.02 80 G C S 51.51 2.23 17.56 19.87 98.35 -124.36 79.12 -1.69 99.48 0.19 0.33 34.68 59.77 5.10 0.15 0.13 0.00 0.07 0.12 81 D C S 63.52 3.64 18.73 22.81 137.97 30.48 -147.90 164.36 98.07 1.23 0.71 39.45 57.73 0.74 0.60 0.10 0.00 0.19 1.18 82 F H H 101.47 11.79 13.36 25.59 91.77 -108.95 -62.05 -36.18 6.01 0.02 93.97 0.99 2.87 1.99 93.83 0.31 0.00 0.00 0.01 83 T H H 92.24 1.63 20.57 20.83 91.78 53.69 -63.38 -42.37 1.52 0.00 98.48 0.14 0.17 1.04 98.40 0.25 0.00 0.00 0.00 84 A H H 35.74 5.48 18.68 25.66 91.44 48.21 -64.61 -41.14 0.48 0.00 99.52 0.06 0.04 0.30 99.37 0.23 0.00 0.00 0.00 85 A H H 5.86 18.73 12.56 32.25 90.99 52.08 -62.13 -43.13 0.15 0.00 99.85 0.02 0.01 0.08 99.81 0.08 0.00 0.00 0.00 86 K H H 106.24 5.50 21.03 27.11 91.60 50.66 -63.71 -41.33 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 87 K H H 124.41 1.59 22.97 22.36 91.56 49.32 -64.61 -41.36 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 88 K H H 64.40 11.59 18.63 30.67 92.16 49.09 -65.68 -40.71 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 89 R H H 67.63 15.25 17.05 31.98 91.56 51.78 -62.89 -41.88 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 90 A H H 57.49 2.44 22.14 23.38 91.18 50.58 -63.24 -42.08 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 91 K H H 107.58 3.29 21.95 24.82 91.74 49.24 -64.81 -41.38 0.14 0.00 99.86 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 92 M H H 27.30 16.10 16.14 32.81 92.04 49.86 -64.71 -41.47 0.13 0.00 99.87 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 93 E H H 82.43 7.39 19.89 27.97 91.48 51.69 -63.10 -41.39 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 94 E H H 106.27 1.97 22.29 22.46 91.73 50.01 -64.46 -41.29 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 95 A H H 29.71 8.41 18.30 28.38 91.83 50.71 -64.17 -42.13 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.02 0.00 0.00 0.00 96 L H H 43.14 12.38 16.62 29.84 91.84 49.87 -64.34 -41.30 0.12 0.00 99.88 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 97 R H H 128.32 2.83 19.51 22.21 91.67 50.84 -63.87 -41.52 0.22 0.00 99.78 0.02 0.01 0.14 99.79 0.04 0.00 0.00 0.00 98 H H H 103.88 2.39 18.60 20.41 91.94 49.49 -64.95 -41.11 0.52 0.00 99.48 0.05 0.03 0.34 99.47 0.11 0.00 0.00 0.00 99 A H H 30.58 7.83 13.64 23.64 92.10 51.08 -64.58 -40.26 1.56 0.00 98.43 0.21 0.12 1.01 98.38 0.28 0.00 0.00 0.00 100 T H H 62.34 5.23 13.04 19.97 92.43 51.15 -65.86 -38.93 5.46 0.01 94.53 0.83 0.51 3.64 94.37 0.64 0.00 0.00 0.00 101 K H H 138.98 1.44 13.23 14.67 93.02 52.17 -67.23 -35.79 15.28 0.06 84.66 2.68 1.67 10.44 83.69 1.45 0.01 0.02 0.04 102 K H H 140.71 1.83 11.40 13.92 93.87 53.34 -70.63 -29.83 33.59 0.20 66.21 6.92 4.60 22.07 64.19 1.99 0.03 0.07 0.13 103 H C H 130.03 3.23 9.32 14.05 98.76 52.00 -84.91 -5.76 60.43 0.25 39.32 28.95 1.94 27.58 39.52 1.76 0.00 0.09 0.17 104 H C C 137.55 3.17 10.70 15.43 102.12 97.11 -81.96 53.36 99.91 0.02 0.07 99.72 0.08 0.14 0.04 0.00 0.00 0.01 0.00