# 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 A C C 15.66 20.97 17.51 37.82 118.27 -155.63 -94.87 139.27 99.58 0.41 0.01 99.48 0.18 0.03 0.00 0.00 0.00 0.28 0.02 1 R E E 108.36 8.49 22.44 31.33 125.58 -161.82 -120.98 136.94 18.86 80.95 0.19 17.53 0.81 0.14 0.14 0.09 0.00 66.58 14.72 2 I E E 21.48 21.06 13.86 34.57 116.96 -162.30 -116.53 121.59 8.23 91.40 0.37 4.58 2.21 0.73 0.29 0.20 0.00 73.34 18.65 3 A C T 45.98 12.45 15.91 29.15 94.65 -16.94 55.07 40.28 98.92 0.61 0.47 0.49 2.45 96.26 0.03 0.30 0.00 0.36 0.10 4 G C T 58.58 2.40 18.06 20.65 95.04 -51.72 81.66 2.59 99.63 0.12 0.25 0.46 2.87 96.37 0.01 0.19 0.00 0.08 0.02 5 V E E 44.05 13.83 11.83 26.39 122.17 110.42 -108.03 137.75 11.27 88.58 0.15 5.28 5.30 0.95 0.07 0.10 0.00 66.76 21.53 6 D E E 102.40 3.20 20.77 24.42 108.26 -126.34 -85.23 114.83 42.59 57.37 0.04 37.43 3.81 0.36 0.01 0.04 0.00 55.63 2.73 7 I C C 13.76 23.22 9.98 32.61 116.48 -162.10 -101.47 128.53 95.23 4.74 0.02 93.96 1.69 0.05 0.01 0.01 0.00 3.88 0.40 8 P C C 61.66 5.10 21.13 26.71 111.20 -113.58 -66.62 139.44 98.17 1.44 0.39 96.91 0.95 0.52 0.06 0.26 0.00 0.94 0.36 9 R C T 114.85 12.95 13.61 26.34 93.80 -129.11 -65.43 -24.13 97.66 0.49 1.85 3.08 13.27 81.24 0.22 1.67 0.00 0.26 0.26 10 D C T 107.71 3.40 19.10 22.71 95.46 56.72 -87.21 3.40 97.00 0.96 2.04 7.20 8.49 81.27 0.28 1.87 0.00 0.70 0.19 11 K C C 64.44 14.55 15.04 29.78 115.98 119.58 -77.62 139.46 92.41 6.34 1.25 74.76 16.94 0.87 0.62 0.60 0.00 4.58 1.64 12 R E B 97.79 11.46 23.49 34.48 113.17 -125.23 -83.18 131.11 20.30 78.88 0.82 17.54 0.56 0.11 0.71 0.09 0.00 13.32 67.66 13 V H H 4.40 26.32 18.72 45.06 94.77 -140.44 -68.89 -36.94 27.54 6.20 66.26 16.81 3.75 8.66 58.22 6.65 0.31 4.33 1.26 14 V H H 22.17 20.26 22.91 41.87 91.89 59.32 -62.78 -39.72 8.97 0.80 90.23 2.04 1.21 6.08 76.09 13.71 0.05 0.69 0.13 15 V H H 43.76 11.12 26.28 37.83 91.76 52.59 -65.07 -40.12 2.17 0.14 97.69 0.38 0.25 1.56 76.46 21.18 0.00 0.16 0.01 16 S H H 8.32 20.45 22.83 42.88 91.73 51.84 -65.99 -36.33 1.67 0.05 98.27 0.28 0.17 1.16 74.18 24.15 0.00 0.05 0.00 17 L H H 2.83 26.19 19.52 46.02 91.40 55.20 -68.74 -30.67 2.50 0.03 97.47 0.21 0.20 2.04 66.75 30.76 0.00 0.03 0.00 18 T H H 44.17 15.39 21.95 36.77 91.27 64.39 -69.60 -22.16 20.59 0.14 79.28 0.67 0.96 18.88 49.27 29.99 0.08 0.08 0.07 19 Y C T 98.46 11.29 23.28 34.74 93.67 59.73 -82.35 -10.83 53.87 0.37 45.76 1.88 3.94 48.23 23.98 21.41 0.09 0.18 0.29 20 I C S 13.30 23.24 16.28 39.45 117.52 90.58 -89.26 135.34 90.07 6.50 3.43 8.27 76.05 4.07 3.14 0.40 0.06 1.38 6.63 21 Y C T 98.21 12.83 22.77 34.92 107.28 -79.19 -67.16 120.68 97.68 0.54 1.78 0.72 10.35 87.13 0.57 0.65 0.00 0.23 0.34 22 G C T 36.20 8.87 22.50 31.84 95.41 8.70 85.34 -0.31 99.48 0.11 0.42 1.67 12.06 85.86 0.13 0.19 0.00 0.06 0.04 23 I C C 10.46 23.68 12.90 36.71 117.04 116.83 -103.27 126.93 94.04 5.54 0.41 74.44 16.63 0.83 0.28 0.13 0.00 1.15 6.53 24 G C C 27.30 6.46 23.63 30.06 127.77 -156.46 -92.96 170.54 99.44 0.26 0.29 97.42 1.89 0.18 0.23 0.02 0.00 0.07 0.18 25 N H H 87.03 12.05 16.39 28.42 92.04 -96.36 -60.58 -37.38 5.15 0.01 94.84 0.79 1.04 2.75 95.10 0.30 0.00 0.00 0.00 26 T H H 88.53 2.09 23.41 24.28 91.97 52.00 -64.37 -41.01 3.55 0.01 96.44 0.53 0.42 2.25 96.50 0.30 0.00 0.00 0.00 27 T H H 27.45 13.18 20.04 33.79 92.12 48.89 -65.92 -41.57 1.09 0.00 98.91 0.35 0.12 0.49 98.86 0.18 0.00 0.00 0.00 28 A H H 2.41 25.43 15.45 41.32 91.08 51.23 -62.66 -43.14 0.17 0.00 99.83 0.03 0.01 0.07 99.86 0.03 0.00 0.00 0.00 29 K H H 99.31 9.14 23.26 32.59 91.28 51.21 -63.11 -41.32 0.07 0.00 99.93 0.01 0.00 0.03 99.95 0.01 0.00 0.00 0.00 30 K H H 107.22 3.47 25.92 28.95 91.70 49.98 -64.52 -41.95 0.06 0.00 99.94 0.01 0.00 0.03 99.95 0.01 0.00 0.00 0.00 31 V H H 5.76 21.37 19.81 41.45 91.52 48.79 -63.98 -44.02 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 32 L H H 7.41 23.13 17.28 40.34 91.62 49.87 -63.38 -42.54 0.14 0.00 99.86 0.01 0.00 0.09 99.85 0.04 0.00 0.00 0.00 33 A H H 67.74 4.25 21.48 26.19 91.51 51.43 -63.06 -40.80 0.39 0.00 99.61 0.01 0.01 0.32 99.45 0.21 0.00 0.00 0.00 34 N H H 97.59 5.24 20.16 26.33 91.04 53.15 -66.02 -29.47 3.71 0.00 96.28 0.04 0.06 4.00 95.54 0.35 0.00 0.00 0.00 35 V C T 24.50 18.52 13.91 32.52 94.35 47.92 -91.27 0.20 61.36 0.01 38.63 0.16 0.62 61.72 36.78 0.70 0.00 0.00 0.01 36 G C T 56.25 1.83 22.61 23.89 94.14 -110.84 75.42 22.17 99.91 0.00 0.09 0.95 0.61 98.40 0.03 0.01 0.00 0.00 0.00 37 V C C 13.68 22.70 10.10 32.12 121.72 138.34 -102.03 141.10 99.50 0.44 0.05 96.79 2.58 0.07 0.02 0.02 0.00 0.10 0.42 38 S C C 55.77 3.86 24.03 27.19 121.72 -129.54 -84.75 154.56 99.54 0.36 0.09 98.98 0.51 0.14 0.02 0.03 0.00 0.10 0.23 39 E C T 81.48 16.93 13.52 29.75 91.19 -119.32 -64.81 -22.34 99.58 0.15 0.28 1.00 6.11 92.52 0.02 0.22 0.00 0.08 0.05 40 D C T 109.02 2.33 20.90 23.39 93.57 59.25 -89.84 -0.56 99.71 0.13 0.17 1.82 4.62 93.26 0.01 0.19 0.00 0.08 0.02 41 V C C 25.41 15.56 13.88 30.75 116.99 119.41 -71.34 141.32 98.97 0.99 0.03 71.27 27.72 0.14 0.01 0.02 0.00 0.42 0.42 42 R E B 86.88 7.60 24.11 32.10 117.12 -121.39 -81.26 144.75 30.98 68.97 0.04 27.87 0.26 0.01 0.03 0.00 0.00 4.26 67.56 43 V H G 8.05 25.10 13.34 39.00 90.95 -119.46 -58.44 -36.77 7.99 0.07 91.94 0.48 0.62 5.50 0.48 92.87 0.00 0.05 0.00 44 R H G 128.85 8.30 20.31 29.38 90.08 63.52 -67.12 -20.29 7.52 0.02 92.45 0.12 0.34 5.95 0.30 93.28 0.00 0.02 0.00 45 D H G 91.92 3.98 21.42 25.85 94.38 54.84 -92.44 -1.24 8.14 0.03 91.83 0.38 0.69 5.19 0.33 93.39 0.00 0.01 0.00 46 L C C 12.79 23.89 7.84 30.21 116.56 109.40 -75.53 139.12 99.33 0.41 0.26 67.83 31.12 0.19 0.10 0.12 0.00 0.07 0.57 47 T C C 66.78 2.97 20.26 22.63 124.29 -136.83 -86.27 167.06 99.75 0.16 0.09 98.90 0.83 0.03 0.06 0.00 0.00 0.03 0.15 48 N H H 117.62 3.26 14.38 19.53 91.10 -99.20 -58.83 -38.47 1.81 0.00 98.19 0.28 0.35 1.05 97.88 0.43 0.00 0.00 0.00 49 E H H 135.05 1.28 18.31 18.34 91.54 52.30 -64.53 -39.76 0.77 0.00 99.23 0.09 0.06 0.52 98.87 0.46 0.00 0.00 0.00 50 Q H H 43.79 14.25 15.74 30.30 92.24 48.49 -66.62 -39.69 0.39 0.00 99.61 0.08 0.03 0.23 99.13 0.52 0.00 0.00 0.00 51 T H H 19.11 18.24 15.21 33.44 91.46 51.95 -62.52 -43.09 0.12 0.00 99.88 0.03 0.00 0.06 99.85 0.05 0.00 0.00 0.00 52 D H H 84.76 2.34 23.47 24.52 91.43 50.33 -64.09 -40.68 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 53 A H H 42.11 5.99 21.54 28.29 91.45 50.83 -64.26 -41.57 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 54 I H H 3.75 24.69 15.66 40.78 91.42 49.74 -63.77 -43.17 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 55 R H H 93.70 12.70 20.52 32.73 91.31 51.65 -61.90 -41.69 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 56 A H H 59.44 1.93 22.90 22.79 91.24 50.62 -63.91 -41.60 0.33 0.00 99.67 0.02 0.01 0.24 99.60 0.13 0.00 0.00 0.00 57 E H H 46.29 11.43 18.40 30.81 92.21 49.00 -65.82 -40.80 0.89 0.00 99.11 0.07 0.04 0.67 98.85 0.37 0.00 0.00 0.00 58 I H H 10.64 22.93 12.33 34.89 91.93 51.00 -66.07 -37.66 3.85 0.01 96.13 0.45 0.27 2.84 94.52 1.92 0.00 0.00 0.00 59 D H H 99.88 4.16 17.40 22.94 91.25 57.99 -67.77 -25.10 28.69 0.03 71.28 1.47 1.09 25.38 69.38 2.64 0.01 0.01 0.02 60 K C H 153.15 1.37 18.19 18.49 93.93 52.27 -82.47 -13.99 52.52 0.07 47.41 2.82 3.09 44.78 46.42 2.80 0.01 0.02 0.05 61 L C C 42.74 17.41 9.94 26.42 113.84 88.21 -87.95 126.72 84.82 1.17 14.00 46.23 28.63 9.48 12.00 2.53 0.00 0.44 0.68 62 K C C 151.20 2.36 19.68 22.60 110.62 -142.58 -88.94 115.78 89.35 6.45 4.20 83.32 2.52 3.61 2.97 1.08 0.00 4.59 1.91 63 V C C 34.09 19.87 9.35 27.77 122.23 -172.55 -112.11 135.91 81.21 15.45 3.34 74.56 4.16 1.92 2.55 0.99 0.00 9.94 5.87 64 E C C 135.49 2.67 17.78 21.17 115.65 -146.28 -97.76 135.08 80.94 11.28 7.77 60.70 11.93 7.72 5.95 2.36 0.01 8.76 2.57 65 G C S 38.05 4.99 16.62 22.72 131.40 37.63 128.25 -173.85 83.47 4.97 11.56 26.32 43.64 14.03 8.31 3.13 0.05 2.97 1.55 66 D C C 82.99 4.70 18.39 23.60 106.87 -45.68 -86.74 101.76 82.79 2.34 14.87 69.72 5.41 6.79 13.35 2.47 0.00 1.25 1.02 67 L H H 32.13 19.45 12.58 31.63 94.16 -164.38 -65.29 -35.37 10.49 0.11 89.40 6.52 1.53 2.85 87.81 1.19 0.00 0.05 0.04 68 R H H 114.69 9.94 18.01 28.41 91.50 57.32 -62.59 -41.32 2.57 0.02 97.40 0.86 0.34 1.31 96.71 0.77 0.00 0.01 0.01 69 R H H 138.59 2.32 21.32 22.88 92.13 49.16 -65.69 -40.31 1.29 0.02 98.69 0.48 0.16 0.62 98.05 0.68 0.00 0.01 0.00 70 E H H 63.84 10.09 19.17 30.01 92.25 50.21 -65.48 -41.31 0.78 0.01 99.21 0.29 0.09 0.36 98.95 0.31 0.00 0.00 0.00 71 V H H 13.58 19.99 16.62 36.63 91.62 49.29 -63.92 -42.97 0.61 0.00 99.38 0.20 0.05 0.30 99.30 0.15 0.00 0.00 0.00 72 N H H 68.68 7.51 21.69 29.61 91.64 50.93 -63.23 -41.70 0.63 0.00 99.37 0.15 0.04 0.34 99.34 0.12 0.00 0.00 0.00 73 L H H 74.62 3.56 23.13 26.35 91.66 50.16 -64.18 -41.59 0.46 0.00 99.54 0.08 0.03 0.28 99.52 0.09 0.00 0.00 0.00 74 N H H 26.42 15.94 20.11 36.02 91.88 50.00 -64.83 -41.54 0.53 0.00 99.47 0.06 0.02 0.35 99.50 0.07 0.00 0.00 0.00 75 I H H 20.95 19.10 18.61 37.43 91.63 50.75 -63.75 -42.21 0.23 0.00 99.77 0.02 0.01 0.14 99.79 0.03 0.00 0.00 0.00 76 K H H 117.48 3.02 24.13 26.67 91.65 50.84 -63.66 -41.69 0.16 0.00 99.84 0.02 0.01 0.09 99.85 0.04 0.00 0.00 0.00 77 R H H 99.68 6.11 22.12 28.63 91.80 49.51 -64.93 -41.10 0.30 0.00 99.69 0.02 0.01 0.21 99.68 0.07 0.00 0.00 0.00 78 L H H 10.57 20.38 14.63 35.34 91.51 50.93 -63.85 -41.52 0.35 0.00 99.65 0.04 0.02 0.21 99.57 0.16 0.00 0.00 0.00 79 M H H 82.70 10.63 17.49 28.40 92.01 51.12 -64.09 -40.40 0.75 0.00 99.25 0.08 0.04 0.51 98.95 0.41 0.00 0.00 0.00 80 E H H 139.97 1.65 20.21 21.21 91.49 52.05 -66.28 -32.05 3.82 0.01 96.17 0.13 0.15 3.42 95.91 0.39 0.00 0.00 0.00 81 I H H 67.04 10.49 15.81 27.13 94.55 49.29 -87.16 -8.05 31.90 0.04 68.06 0.51 1.45 29.23 68.20 0.56 0.02 0.01 0.02 82 G C T 39.03 6.95 20.03 27.68 98.94 -103.59 85.16 12.27 98.65 0.10 1.25 16.95 6.38 75.40 1.00 0.19 0.00 0.04 0.04 83 S C C 19.35 16.53 14.89 31.86 119.70 151.82 -80.17 154.33 94.48 1.51 4.01 80.02 12.75 1.04 3.83 0.47 0.00 0.35 1.54 84 Y H H 97.59 11.19 21.70 33.28 93.17 -118.53 -63.99 -35.17 14.16 0.11 85.72 2.48 3.84 8.47 83.28 1.76 0.06 0.03 0.07 85 R H H 83.01 13.00 21.83 34.31 92.28 55.91 -64.91 -40.69 7.34 0.04 92.62 0.83 0.87 5.49 90.93 1.82 0.02 0.01 0.02 86 G H H 7.02 14.23 18.02 33.74 91.88 52.07 -63.87 -42.55 5.00 0.04 94.96 1.29 0.64 2.95 92.42 2.65 0.01 0.02 0.01 87 I H H 43.56 9.21 20.51 30.97 91.86 49.70 -64.24 -42.56 2.59 0.03 97.37 0.70 0.39 1.42 96.21 1.24 0.01 0.02 0.01 88 R H H 60.39 9.88 17.88 29.09 92.30 50.18 -64.44 -42.23 2.47 0.05 97.49 0.60 0.32 1.50 96.07 1.47 0.01 0.02 0.01 89 H H H 66.19 12.00 15.43 27.97 92.35 49.66 -65.17 -41.04 2.38 0.02 97.60 0.36 0.19 1.68 95.11 2.64 0.01 0.01 0.00 90 R H H 128.43 7.51 16.48 25.06 91.32 51.71 -66.17 -30.89 8.39 0.02 91.58 0.38 0.42 7.54 89.11 2.51 0.02 0.01 0.01 91 R C T 134.04 4.47 15.80 21.33 93.83 49.04 -90.57 1.71 65.54 0.03 34.42 0.44 1.27 64.55 31.67 2.02 0.01 0.01 0.04 92 G C T 56.11 2.22 16.80 19.52 95.35 -105.46 82.37 12.28 99.75 0.00 0.25 1.42 1.23 97.19 0.11 0.03 0.00 0.00 0.00 93 L C C 54.70 10.90 11.21 23.66 117.46 141.78 -87.78 137.03 99.79 0.18 0.02 93.73 6.01 0.07 0.01 0.01 0.00 0.05 0.12 94 P C C 73.79 5.23 18.71 24.62 112.77 -104.59 -65.97 144.44 99.10 0.68 0.22 94.97 3.58 0.54 0.06 0.11 0.00 0.24 0.49 95 T C C 43.72 17.15 11.57 27.72 117.53 -158.09 -103.84 135.33 85.78 12.73 1.49 73.51 8.51 1.83 0.64 0.74 0.00 2.71 12.05 96 R C T 140.09 5.95 16.63 23.51 106.97 -70.21 -77.10 97.92 88.54 4.35 7.12 23.48 31.36 34.30 2.58 3.94 0.01 2.07 2.25 97 G C T 44.13 6.82 14.33 22.00 99.68 -35.89 77.41 0.53 88.02 1.85 10.13 18.13 31.17 39.50 3.70 5.52 0.01 0.83 1.14 98 Q C C 103.97 6.15 14.34 21.58 99.93 98.55 -81.74 -14.52 77.30 2.20 20.51 31.74 26.22 20.27 11.20 8.10 0.03 0.87 1.57 99 N C C 86.14 6.72 13.96 21.79 103.62 62.08 -93.88 34.22 74.77 2.57 22.67 42.59 15.95 16.78 15.11 6.87 0.02 1.10 1.59 100 T C C 60.54 9.81 12.29 22.93 102.05 122.33 -79.01 -26.81 57.22 2.64 40.15 33.09 13.49 11.73 30.76 8.29 0.04 1.28 1.32 101 K C H 133.00 3.84 15.64 20.48 96.38 60.13 -72.33 -29.78 50.73 1.71 47.57 21.79 13.65 16.81 37.87 8.14 0.06 0.92 0.76 102 N C H 85.85 5.49 14.96 21.48 99.93 50.53 -86.81 -8.32 52.24 1.32 46.45 24.84 12.63 16.19 37.13 7.86 0.05 0.60 0.70 103 N H H 60.53 9.61 13.23 23.91 99.07 69.64 -80.80 -15.96 48.88 1.27 49.85 28.18 10.23 11.96 40.07 8.27 0.03 0.56 0.70 104 A H H 49.88 8.72 13.11 23.04 95.26 76.11 -67.01 -31.06 43.76 1.21 55.02 22.02 8.74 14.10 41.42 12.48 0.04 0.59 0.60 105 R H H 148.84 3.69 14.88 19.70 95.18 60.33 -73.39 -22.46 46.45 1.67 51.89 22.56 9.72 15.38 38.25 12.41 0.05 0.84 0.78 106 T C H 80.20 5.59 12.96 19.80 99.90 57.30 -89.13 0.00 53.89 2.46 43.65 28.30 11.90 15.17 31.71 10.47 0.05 1.15 1.25 107 R C C 128.94 7.60 10.35 19.10 109.83 110.08 -83.03 119.29 73.37 1.94 24.68 41.52 17.99 13.99 19.06 5.47 0.01 0.79 1.16 108 K C C 157.30 1.87 12.27 15.23 106.92 -134.36 -88.07 60.99 86.13 2.08 11.80 50.45 22.14 13.60 8.36 3.20 0.00 0.82 1.43 109 G C C 36.59 6.47 9.56 17.51 126.58 -125.87 -102.63 173.51 98.05 1.43 0.52 53.16 43.49 1.59 0.22 0.24 0.00 0.58 0.72 110 P C C 104.04 2.63 11.68 15.64 109.29 -61.35 -68.60 143.64 98.31 1.19 0.51 93.54 2.66 2.23 0.16 0.22 0.00 0.59 0.59 111 T C C 104.56 3.23 11.40 16.37 106.97 -116.19 -83.39 98.04 99.81 0.13 0.06 99.46 0.25 0.16 0.02 0.01 0.00 0.06 0.04