#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pe0 s SER 3 N 0.00 5.94 0.84 0.00 0.01 -1.26 -4.98 113.70 114.25 1pe0 s SER 3 Ca 0.00 2.94 -0.11 0.00 1.31 0.00 0.00 55.95 60.09 1pe0 s SER 3 Cb 0.00 -2.66 0.10 0.00 0.21 0.00 0.00 66.02 63.67 1pe0 s SER 3 CO 0.00 -1.14 1.09 -0.54 0.41 0.00 0.00 173.24 173.07 1pe0 s LYS 4 N -2.40 1.69 0.04 12.44 3.01 -1.26 -4.79 119.74 128.47 1pe0 s LYS 4 Ca 0.60 1.02 0.08 0.00 -1.01 0.00 0.00 55.97 56.66 1pe0 s LYS 4 Cb -0.44 -1.84 -0.03 0.00 -1.01 0.00 0.00 37.83 34.51 1pe0 s LYS 4 CO 0.57 -2.00 -0.22 1.03 0.51 0.00 0.00 175.35 175.25 1pe0 s ARG 5 N -4.90 1.47 -0.01 1.68 1.81 -1.26 -1.15 118.95 116.59 1pe0 s ARG 5 Ca 0.63 -0.97 0.02 0.00 -1.72 0.00 0.00 55.73 53.69 1pe0 s ARG 5 Cb -0.18 -1.59 -0.00 0.00 -0.45 0.00 0.00 34.95 32.73 1pe0 s ARG 5 CO 0.57 0.41 -0.07 0.00 -0.68 0.00 0.00 175.30 175.52 1pe0 s ALA 6 N -0.80 0.66 -0.22 2.13 0.00 -0.12 -0.94 121.76 122.47 1pe0 s ALA 6 Ca 0.08 -0.28 -0.04 0.00 0.00 0.00 0.00 51.96 51.72 1pe0 s ALA 6 Cb -0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 1pe0 s ALA 6 CO 0.02 0.13 -0.03 -1.17 0.00 0.00 0.00 175.76 174.71 1pe0 s LEU 7 N 0.02 2.99 -0.30 0.00 2.96 -0.02 -1.00 118.68 123.34 1pe0 s LEU 7 Ca 0.00 -0.35 -0.04 0.00 -0.22 0.00 0.00 54.13 53.52 1pe0 s LEU 7 Cb -0.05 -1.77 0.03 0.00 0.50 0.00 0.00 46.19 44.91 1pe0 s LEU 7 CO -0.00 -0.01 0.02 -0.69 -1.32 0.00 0.00 176.35 174.35 1pe0 s VAL 8 N 1.42 3.32 -0.32 1.68 1.01 -0.63 0.44 120.40 127.32 1pe0 s VAL 8 Ca 0.05 -1.12 -0.24 0.00 0.00 0.00 0.00 61.98 60.67 1pe0 s VAL 8 Cb -0.14 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.43 1pe0 s VAL 8 CO -0.02 -0.02 0.82 -0.63 0.00 0.00 0.00 175.10 175.26 1pe0 s ILE 9 N 1.35 4.74 -0.35 2.22 1.01 -0.97 -0.91 121.20 128.29 1pe0 s ILE 9 Ca -0.02 1.17 -0.09 0.00 0.00 0.00 0.00 60.65 61.71 1pe0 s ILE 9 Cb -0.18 -4.20 0.03 0.00 0.01 0.00 0.00 42.46 38.12 1pe0 s ILE 9 CO -0.00 -0.33 0.15 -0.22 0.00 0.00 0.00 174.94 174.53 1pe0 s LEU 10 N 3.09 4.42 0.23 2.97 2.96 0.31 -4.40 118.68 128.26 1pe0 s LEU 10 Ca 0.34 -0.99 0.09 0.00 -0.22 0.00 0.00 54.13 53.34 1pe0 s LEU 10 Cb -0.14 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 1pe0 s LEU 10 CO 0.14 -0.33 0.00 0.00 -1.32 0.00 0.00 176.35 174.85 1pe0 s ALA 11 N 1.49 3.18 0.31 5.97 0.00 -1.26 -1.07 121.76 130.38 1pe0 s ALA 11 Ca 0.01 -1.52 -0.30 0.00 0.00 0.00 0.00 51.96 50.15 1pe0 s ALA 11 Cb -0.19 -0.88 -0.12 0.00 0.00 0.00 0.00 23.12 21.93 1pe0 s ALA 11 CO 0.05 0.36 1.52 1.17 0.00 0.00 0.00 175.76 178.85 1pe0 n LYS 12 N -0.57 2.55 -0.48 0.00 4.81 -1.26 -1.73 118.16 121.48 1pe0 n LYS 12 Ca -0.08 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.26 1pe0 n LYS 12 Cb 0.57 -2.64 0.00 0.00 0.02 0.00 0.00 35.03 32.98 1pe0 n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pe0 n GLY 13 N 1.67 0.74 3.76 3.14 0.00 -0.51 -3.32 105.19 110.68 1pe0 n GLY 13 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1pe0 n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pe0 s ALA 14 N -2.82 2.76 -0.30 4.61 0.00 -0.71 -2.45 121.76 122.85 1pe0 s ALA 14 Ca 0.00 1.03 -0.29 0.00 0.00 0.00 0.00 51.96 52.70 1pe0 s ALA 14 Cb 0.00 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 1pe0 s ALA 14 CO 0.00 -1.00 1.42 -2.00 0.00 0.00 0.00 175.76 174.18 1pe0 s GLU 15 N -3.03 3.81 0.39 0.00 -6.30 -0.57 -1.03 118.70 111.97 1pe0 s GLU 15 Ca 0.71 1.32 0.06 0.00 -2.50 0.00 0.00 54.97 54.56 1pe0 s GLU 15 Cb -0.31 -3.96 0.78 0.00 0.00 0.00 0.00 34.13 30.64 1pe0 s GLU 15 CO 0.36 -1.26 2.03 1.05 0.02 0.00 0.00 175.26 177.46 1pe0 h GLU 16 N 10.03 0.65 -0.34 4.30 9.09 -1.91 -1.88 114.58 134.51 1pe0 h GLU 16 Ca -0.29 -0.04 -0.08 0.00 0.05 0.00 0.00 59.36 59.00 1pe0 h GLU 16 Cb 1.12 -0.15 -0.01 0.00 -1.65 0.00 0.00 28.75 28.06 1pe0 h GLU 16 CO 1.03 0.43 -0.12 0.52 0.05 0.00 0.00 179.01 180.92 1pe0 h MET 17 N 0.67 0.68 0.00 1.06 2.86 -1.99 0.25 114.93 118.45 1pe0 h MET 17 Ca 0.20 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1pe0 h MET 17 Cb -0.03 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.60 1pe0 h MET 17 CO -0.05 0.86 0.00 0.39 1.06 0.00 0.00 176.91 179.18 1pe0 n GLU 18 N -4.38 0.05 -0.11 1.72 1.02 -0.92 -1.53 120.64 116.48 1pe0 n GLU 18 Ca -0.02 0.31 -0.21 0.00 -0.02 0.00 0.00 57.16 57.22 1pe0 n GLU 18 Cb 0.36 -1.59 -0.09 0.00 -0.02 0.00 0.00 31.44 30.10 1pe0 n GLU 18 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1pe0 n THR 19 N -1.68 1.51 -0.19 2.62 -1.04 -0.75 -4.40 114.28 110.34 1pe0 n THR 19 Ca 0.03 -0.11 -0.10 0.00 -2.04 0.00 0.00 64.05 61.83 1pe0 n THR 19 Cb 0.17 -2.07 0.01 0.00 -1.82 0.00 0.00 70.33 66.63 1pe0 n THR 19 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1pe0 h VAL 20 N -1.00 1.27 -0.17 12.58 2.07 -0.87 -2.81 116.25 127.31 1pe0 h VAL 20 Ca -0.40 -1.22 -0.00 0.00 0.82 0.00 0.00 66.70 65.90 1pe0 h VAL 20 Cb 1.29 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1pe0 h VAL 20 CO -0.24 0.43 0.09 0.40 0.02 0.00 0.00 177.57 178.28 1pe0 h ILE 21 N 0.91 1.09 -0.67 4.57 2.04 -1.51 0.78 117.51 124.73 1pe0 h ILE 21 Ca 0.15 -0.25 -0.08 0.00 1.00 0.00 0.00 64.86 65.68 1pe0 h ILE 21 Cb 0.63 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 1pe0 h ILE 21 CO 0.04 0.09 0.10 -0.65 0.00 0.00 0.00 178.15 177.73 1pe0 h PRO 22 N 0.18 1.11 0.05 2.37 0.11 -1.76 -0.37 132.00 133.68 1pe0 h PRO 22 Ca 0.06 -0.30 -0.00 0.00 0.11 0.00 0.00 66.00 65.87 1pe0 h PRO 22 Cb 0.06 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.04 1pe0 h PRO 22 CO -0.01 1.02 -0.03 0.28 -0.21 0.00 0.00 178.00 179.05 1pe0 h VAL 23 N 1.03 1.02 0.48 3.15 2.07 -1.30 -0.26 116.25 122.43 1pe0 h VAL 23 Ca 0.20 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1pe0 h VAL 23 Cb 0.45 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1pe0 h VAL 23 CO 0.01 0.06 -0.27 -0.78 0.02 0.00 0.00 177.57 176.61 1pe0 h ASP 24 N -0.18 -0.67 -0.76 0.57 1.82 -0.77 -1.45 116.42 114.98 1pe0 h ASP 24 Ca -0.01 0.03 0.04 0.00 -0.39 0.00 0.00 57.03 56.71 1pe0 h ASP 24 Cb 0.15 0.19 -0.05 0.00 0.68 0.00 0.00 39.33 40.30 1pe0 h ASP 24 CO 0.01 -0.44 0.48 0.58 -1.61 0.00 0.00 179.24 178.26 1pe0 h VAL 25 N -0.70 1.08 -0.63 2.25 2.07 -1.06 -0.81 116.25 118.46 1pe0 h VAL 25 Ca -0.06 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 1pe0 h VAL 25 Cb 0.56 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1pe0 h VAL 25 CO 0.07 0.17 0.15 0.24 0.02 0.00 0.00 177.57 178.22 1pe0 h MET 26 N 0.91 0.99 -0.11 1.57 2.86 -0.93 -2.16 114.93 118.06 1pe0 h MET 26 Ca 0.31 -0.22 -0.08 0.00 -2.06 0.00 0.00 59.70 57.65 1pe0 h MET 26 Cb 0.06 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 1pe0 h MET 26 CO -0.13 0.88 -0.31 0.00 1.06 0.00 0.00 176.91 178.41 1pe0 h ARG 27 N 0.94 0.21 -0.05 1.72 3.08 -0.63 -1.62 114.38 118.03 1pe0 h ARG 27 Ca 0.20 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 1pe0 h ARG 27 Cb 0.34 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1pe0 h ARG 27 CO 0.00 0.51 -0.24 0.00 -1.07 0.00 0.00 179.97 179.17 1pe0 h ARG 28 N 0.18 0.09 -0.01 0.04 3.08 -0.55 -1.86 114.38 115.35 1pe0 h ARG 28 Ca 0.03 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1pe0 h ARG 28 Cb 0.65 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1pe0 h ARG 28 CO 0.05 0.33 0.00 0.00 -1.07 0.00 0.00 179.97 179.27 1pe0 n ALA 29 N -2.49 2.64 -0.79 0.04 0.00 -0.71 -4.88 120.51 114.32 1pe0 n ALA 29 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1pe0 n ALA 29 Cb 0.32 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.40 1pe0 n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pe0 n GLY 30 N 0.95 0.55 3.76 0.00 0.00 -0.70 -5.03 105.19 104.72 1pe0 n GLY 30 Ca 0.19 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 1pe0 n GLY 30 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pe0 s ILE 31 N -2.00 4.85 -0.49 -0.61 1.01 -0.69 -4.50 121.20 118.77 1pe0 s ILE 31 Ca 0.00 1.35 -0.28 0.00 0.00 0.00 0.00 60.65 61.71 1pe0 s ILE 31 Cb 0.00 -3.98 0.03 0.00 0.01 0.00 0.00 42.46 38.52 1pe0 s ILE 31 CO 0.00 0.41 1.12 -0.54 0.00 0.00 0.00 174.94 175.93 1pe0 s LYS 32 N -0.18 3.67 -0.12 2.79 1.02 -0.30 -4.12 119.74 122.50 1pe0 s LYS 32 Ca 0.33 0.47 -0.05 0.00 0.02 0.00 0.00 55.97 56.74 1pe0 s LYS 32 Cb -0.19 -3.93 -0.04 0.00 -0.52 0.00 0.00 37.83 33.16 1pe0 s LYS 32 CO 0.19 -1.41 0.05 0.08 -0.92 0.00 0.00 175.35 173.34 1pe0 s VAL 33 N 4.45 4.74 -0.22 3.17 1.01 -1.26 -0.94 120.40 131.33 1pe0 s VAL 33 Ca 0.46 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.38 1pe0 s VAL 33 Cb -0.07 -3.05 0.05 0.00 0.00 0.00 0.00 36.38 33.30 1pe0 s VAL 33 CO 0.30 0.58 -0.13 -0.89 0.00 0.00 0.00 175.10 174.96 1pe0 s THR 34 N -0.62 1.96 -0.48 3.92 2.01 -0.17 -4.96 115.64 117.30 1pe0 s THR 34 Ca 0.11 -1.26 -0.25 0.00 0.31 0.00 0.00 61.69 60.60 1pe0 s THR 34 Cb -0.12 -1.99 0.03 0.00 0.01 0.00 0.00 72.50 70.43 1pe0 s THR 34 CO 0.02 0.17 0.90 -0.69 -0.69 0.00 0.00 174.62 174.33 1pe0 s VAL 35 N 1.25 4.49 -0.23 3.82 1.01 -1.26 -1.60 120.40 127.88 1pe0 s VAL 35 Ca -0.03 0.59 -0.08 0.00 0.00 0.00 0.00 61.98 62.47 1pe0 s VAL 35 Cb -0.17 -4.43 -0.03 0.00 0.00 0.00 0.00 36.38 31.74 1pe0 s VAL 35 CO -0.08 -0.86 0.08 0.00 0.00 0.00 0.00 175.10 174.23 1pe0 s ALA 36 N 3.70 3.27 -0.07 5.51 0.00 -0.08 -0.33 121.76 133.76 1pe0 s ALA 36 Ca 0.34 -1.00 -0.30 0.00 0.00 0.00 0.00 51.96 51.01 1pe0 s ALA 36 Cb -0.11 -2.06 -0.02 0.00 0.00 0.00 0.00 23.12 20.93 1pe0 s ALA 36 CO 0.24 -0.27 1.07 0.20 0.00 0.00 0.00 175.76 177.00 1pe0 s GLY 37 N 1.21 2.37 0.19 0.00 0.00 0.34 -0.53 107.32 110.91 1pe0 s GLY 37 Ca 0.05 0.49 -0.12 0.00 0.00 0.00 0.00 44.72 45.14 1pe0 s GLY 37 CO 0.04 1.97 1.85 -2.00 0.00 0.00 0.00 173.10 174.96 1pe0 h LEU 38 N 7.81 0.69 0.00 0.66 5.85 -1.44 -0.66 115.31 128.21 1pe0 h LEU 38 Ca -0.34 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1pe0 h LEU 38 Cb 1.17 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1pe0 h LEU 38 CO 0.84 0.49 -0.23 0.00 -0.34 0.00 0.00 178.44 179.21 1pe0 n ALA 39 N -2.29 2.71 0.00 1.25 0.00 -1.26 -4.67 120.51 116.25 1pe0 n ALA 39 Ca 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1pe0 n ALA 39 Cb 0.05 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1pe0 n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pe0 n GLY 40 N 1.43 0.43 0.09 0.00 0.00 -1.00 -4.90 105.19 101.24 1pe0 n GLY 40 Ca 0.06 -1.49 0.12 0.00 0.00 0.00 0.00 46.02 44.70 1pe0 n GLY 40 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1pe0 h LYS 41 N 0.00 0.00 -7.25 1.61 1.63 -1.84 -3.28 116.57 107.44 1pe0 h LYS 41 Ca 0.00 0.00 -0.52 0.00 -0.85 0.00 0.00 60.65 59.28 1pe0 h LYS 41 Cb 0.00 0.00 0.15 0.00 -0.60 0.00 0.00 32.23 31.78 1pe0 h LYS 41 CO 0.00 0.00 0.32 -0.51 -3.45 0.00 0.00 179.45 175.81 1pe0 s ASP 42 N -4.65 4.11 0.46 4.20 1.01 -1.26 -4.34 116.67 116.21 1pe0 s ASP 42 Ca 0.04 2.08 -0.23 0.00 0.71 0.00 0.00 52.55 55.15 1pe0 s ASP 42 Cb 0.12 -2.55 -0.09 0.00 1.01 0.00 0.00 42.92 41.40 1pe0 s ASP 42 CO 0.74 -2.30 1.05 -2.65 0.21 0.00 0.00 175.17 172.21 1pe0 n PRO 43 N -3.33 1.36 -4.63 8.23 -0.02 -1.26 -4.52 135.00 130.84 1pe0 n PRO 43 Ca 0.11 0.49 -0.33 0.00 -2.02 0.00 0.00 63.50 61.75 1pe0 n PRO 43 Cb 0.52 -2.14 -0.14 0.00 -0.02 0.00 0.00 33.50 31.73 1pe0 n PRO 43 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pe0 s VAL 44 N -1.32 3.35 -0.31 -1.45 1.01 0.62 -4.94 120.40 117.36 1pe0 s VAL 44 Ca 0.65 -0.55 -0.23 0.00 0.00 0.00 0.00 61.98 61.86 1pe0 s VAL 44 Cb -0.51 -2.43 -0.00 0.00 0.00 0.00 0.00 36.38 33.43 1pe0 s VAL 44 CO 0.55 0.51 0.75 -1.58 0.00 0.00 0.00 175.10 175.33 1pe0 s GLN 45 N 0.37 3.93 0.84 2.72 0.74 -1.26 -1.39 119.66 125.62 1pe0 s GLN 45 Ca -0.08 0.49 -0.09 0.00 0.05 0.00 0.00 55.36 55.73 1pe0 s GLN 45 Cb -0.15 -3.73 0.16 0.00 1.10 0.00 0.00 33.01 30.38 1pe0 s GLN 45 CO 0.05 -0.66 1.17 0.00 -0.55 0.00 0.00 175.29 175.29 1pe0 h SER 47 N -1.11 0.32 -0.68 0.00 4.64 -1.16 -1.13 113.55 114.43 1pe0 h SER 47 Ca -0.41 0.04 -0.48 0.00 -0.47 0.00 0.00 61.79 60.46 1pe0 h SER 47 Cb 1.26 -0.02 -0.32 0.00 -0.31 0.00 0.00 62.40 63.00 1pe0 h SER 47 CO 0.42 0.12 -0.36 0.54 -0.87 0.00 0.00 176.83 176.67 1pe0 n ARG 48 N -4.47 3.03 -0.97 4.77 3.00 -1.26 -4.95 116.66 115.80 1pe0 n ARG 48 Ca 0.20 -3.80 0.00 0.00 -0.01 0.00 0.00 57.85 54.24 1pe0 n ARG 48 Cb 0.78 -2.17 0.00 0.00 0.00 0.00 0.00 32.46 31.07 1pe0 n ARG 48 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1pe0 n ASP 49 N -0.84 -5.53 -4.73 0.55 8.00 -0.43 -4.97 116.55 108.60 1pe0 n ASP 49 Ca 0.44 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.53 1pe0 n ASP 49 Cb 0.90 -3.36 -0.03 0.00 -0.02 0.00 0.00 41.12 38.61 1pe0 n ASP 49 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1pe0 s VAL 50 N -1.03 3.51 -0.27 2.53 1.01 -1.26 -4.67 120.40 120.22 1pe0 s VAL 50 Ca 0.00 1.23 -0.08 0.00 0.00 0.00 0.00 61.98 63.13 1pe0 s VAL 50 Cb 0.00 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 1pe0 s VAL 50 CO 0.00 0.18 0.11 -0.69 0.00 0.00 0.00 175.10 174.70 1pe0 s VAL 51 N 0.15 4.53 -0.10 2.92 1.01 -1.26 -0.85 120.40 126.81 1pe0 s VAL 51 Ca 0.55 -0.19 -0.00 0.00 0.00 0.00 0.00 61.98 62.34 1pe0 s VAL 51 Cb -0.34 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 1pe0 s VAL 51 CO 0.36 0.25 -0.07 -0.63 0.00 0.00 0.00 175.10 175.01 1pe0 s ILE 52 N 1.64 3.62 -0.38 2.22 1.01 -0.49 -4.89 121.20 123.92 1pe0 s ILE 52 Ca 0.06 -0.49 -0.18 0.00 0.00 0.00 0.00 60.65 60.04 1pe0 s ILE 52 Cb -0.16 -2.51 0.01 0.00 0.01 0.00 0.00 42.46 39.81 1pe0 s ILE 52 CO 0.05 0.56 0.48 0.00 0.00 0.00 0.00 174.94 176.03 1pe0 s PRO 54 N 2.30 2.28 0.29 0.00 0.04 -1.26 -4.92 135.00 133.73 1pe0 s PRO 54 Ca 0.16 1.49 0.13 0.00 0.04 0.00 0.00 61.00 62.82 1pe0 s PRO 54 Cb -0.16 -1.88 0.37 0.00 0.04 0.00 0.00 34.50 32.87 1pe0 s PRO 54 CO 0.14 -1.67 1.60 -0.44 0.04 0.00 0.00 177.00 176.67 1pe0 h ASP 55 N -0.50 0.00 -5.20 6.66 3.32 -1.03 -3.47 116.42 116.20 1pe0 h ASP 55 Ca -0.46 0.00 0.12 0.00 0.02 0.00 0.00 57.03 56.71 1pe0 h ASP 55 Cb 1.26 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.75 1pe0 h ASP 55 CO 0.51 0.59 0.39 0.00 -1.72 0.00 0.00 179.24 179.00 1pe0 s ALA 56 N -3.48 -1.43 0.58 3.45 0.00 -1.05 -5.01 121.76 114.83 1pe0 s ALA 56 Ca -0.00 -0.13 -0.10 0.00 0.00 0.00 0.00 51.96 51.72 1pe0 s ALA 56 Cb 0.12 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.92 1pe0 s ALA 56 CO 0.75 -1.04 0.97 -1.54 0.00 0.00 0.00 175.76 174.90 1pe0 s SER 57 N -2.98 6.25 0.32 0.00 1.04 -1.26 -0.50 113.70 116.57 1pe0 s SER 57 Ca 0.13 1.31 0.01 0.00 0.48 0.00 0.00 55.95 57.88 1pe0 s SER 57 Cb -0.03 -2.42 0.53 0.00 0.10 0.00 0.00 66.02 64.20 1pe0 s SER 57 CO 0.05 -0.79 1.90 0.25 0.98 0.00 0.00 173.24 175.63 1pe0 h LEU 58 N -0.13 0.69 -0.29 2.42 5.85 -1.37 -1.00 115.31 121.47 1pe0 h LEU 58 Ca -0.45 -0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.24 1pe0 h LEU 58 Cb 1.19 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.99 1pe0 h LEU 58 CO 0.62 0.63 -0.04 -0.08 -0.34 0.00 0.00 178.44 179.23 1pe0 h GLU 59 N 0.74 0.04 -0.24 1.25 4.81 -1.90 0.13 114.58 119.41 1pe0 h GLU 59 Ca 0.18 -0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.24 1pe0 h GLU 59 Cb 0.18 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1pe0 h GLU 59 CO -0.01 0.03 -0.49 -0.44 -0.73 0.00 0.00 179.01 177.36 1pe0 h ASP 60 N 0.04 0.85 -0.75 1.04 5.19 -1.85 -3.24 116.42 117.70 1pe0 h ASP 60 Ca 0.14 -0.55 -0.02 0.00 -0.62 0.00 0.00 57.03 55.99 1pe0 h ASP 60 Cb 0.21 -0.24 -0.04 0.00 0.18 0.00 0.00 39.33 39.44 1pe0 h ASP 60 CO -0.27 1.24 0.40 0.00 -3.12 0.00 0.00 179.24 177.48 1pe0 h ALA 61 N 0.63 1.26 -0.93 3.45 0.00 -0.85 -2.46 119.26 120.36 1pe0 h ALA 61 Ca 0.01 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.87 1pe0 h ALA 61 Cb 1.10 -0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 1pe0 h ALA 61 CO 0.11 0.59 0.58 -0.22 0.00 0.00 0.00 179.25 180.30 1pe0 h LYS 62 N 1.07 0.96 0.00 0.00 3.64 -0.77 -1.12 116.57 120.36 1pe0 h LYS 62 Ca 0.27 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 1pe0 h LYS 62 Cb 0.06 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1pe0 h LYS 62 CO -0.04 0.64 -0.10 0.87 -2.27 0.00 0.00 179.45 178.55 1pe0 h LYS 63 N 0.99 0.00 -5.01 1.90 1.57 -1.49 -3.39 116.57 111.15 1pe0 h LYS 63 Ca 0.43 0.00 -0.71 0.00 -1.87 0.00 0.00 60.65 58.50 1pe0 h LYS 63 Cb 0.29 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.50 1pe0 h LYS 63 CO -0.21 0.10 2.16 0.39 -0.57 0.00 0.00 179.45 181.32 1pe0 n GLU 64 N -3.49 3.22 -1.03 3.15 1.02 -0.42 -4.94 120.64 118.14 1pe0 n GLU 64 Ca -0.01 -3.32 0.10 0.00 -0.02 0.00 0.00 57.16 53.91 1pe0 n GLU 64 Cb 0.25 -3.29 -0.04 0.00 -0.02 0.00 0.00 31.44 28.33 1pe0 n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pe0 n GLY 65 N 4.57 -1.56 3.80 0.62 0.00 -1.26 -4.80 105.19 106.57 1pe0 n GLY 65 Ca 0.46 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 1pe0 n GLY 65 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1pe0 s PRO 66 N -3.58 3.63 0.01 1.61 0.02 -1.26 -4.95 135.00 130.48 1pe0 s PRO 66 Ca 0.00 1.27 0.01 0.00 0.02 0.00 0.00 61.00 62.30 1pe0 s PRO 66 Cb 0.00 -2.07 -0.04 0.00 0.02 0.00 0.00 34.50 32.41 1pe0 s PRO 66 CO 0.00 -0.56 0.06 0.71 -0.33 0.00 0.00 177.00 176.88 1pe0 s TYR 67 N -2.21 3.22 -0.04 6.54 1.51 -1.26 -4.91 117.35 120.21 1pe0 s TYR 67 Ca 0.65 0.15 0.31 0.00 -1.01 0.00 0.00 57.07 57.17 1pe0 s TYR 67 Cb -0.16 -1.70 1.09 0.00 -0.11 0.00 0.00 41.96 41.09 1pe0 s TYR 67 CO 0.27 0.53 1.88 -0.44 -1.11 0.00 0.00 175.55 176.68 1pe0 h ASP 68 N 3.98 0.00 -3.98 2.29 3.32 -1.41 -3.45 116.42 117.17 1pe0 h ASP 68 Ca -0.49 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.48 1pe0 h ASP 68 Cb 1.18 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.50 1pe0 h ASP 68 CO 0.62 0.01 -0.07 0.54 -1.72 0.00 0.00 179.24 178.61 1pe0 s VAL 69 N -3.55 0.00 -0.19 -1.35 0.11 -1.13 -2.96 120.40 111.34 1pe0 s VAL 69 Ca 0.03 -0.01 -0.01 0.00 -2.93 0.00 0.00 61.98 59.05 1pe0 s VAL 69 Cb 0.08 -0.76 -0.00 0.00 -1.53 0.00 0.00 36.38 34.17 1pe0 s VAL 69 CO 0.58 -0.00 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.54 1pe0 s VAL 70 N 0.22 2.88 -0.14 2.04 1.01 -0.75 -0.84 120.40 124.83 1pe0 s VAL 70 Ca -0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.27 1pe0 s VAL 70 Cb -0.04 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 1pe0 s VAL 70 CO 0.01 0.48 -0.02 -0.69 0.00 0.00 0.00 175.10 174.88 1pe0 s VAL 71 N 1.18 4.10 -0.30 2.92 1.01 0.17 -0.85 120.40 128.63 1pe0 s VAL 71 Ca 0.02 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.71 1pe0 s VAL 71 Cb -0.14 -2.78 0.07 0.00 0.00 0.00 0.00 36.38 33.53 1pe0 s VAL 71 CO -0.04 0.52 -0.01 -0.76 0.00 0.00 0.00 175.10 174.81 1pe0 s LEU 72 N 0.03 4.03 0.99 3.92 1.43 0.12 -2.30 118.68 126.89 1pe0 s LEU 72 Ca 0.01 -1.56 -0.12 0.00 -1.03 0.00 0.00 54.13 51.43 1pe0 s LEU 72 Cb -0.13 -1.65 0.18 0.00 0.03 0.00 0.00 46.19 44.62 1pe0 s LEU 72 CO 0.02 -0.28 1.09 -2.84 0.23 0.00 0.00 176.35 174.56 1pe0 s PRO 73 N 1.12 0.52 0.00 1.29 0.02 -1.26 -2.04 135.00 134.65 1pe0 s PRO 73 Ca -0.02 0.65 0.00 0.00 0.02 0.00 0.00 61.00 61.65 1pe0 s PRO 73 Cb -0.20 -1.74 0.00 0.00 0.02 0.00 0.00 34.50 32.58 1pe0 s PRO 73 CO -0.04 -2.70 0.00 0.41 -0.33 0.00 0.00 177.00 174.33 1pe0 n GLY 74 N -0.88 1.50 0.01 0.52 0.00 -1.13 -4.04 105.19 101.17 1pe0 n GLY 74 Ca 0.06 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1pe0 n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pe0 n GLY 75 N 5.00 1.40 0.42 -0.02 0.00 -1.26 -1.51 105.19 109.22 1pe0 n GLY 75 Ca 0.00 -1.28 -0.15 0.00 0.00 0.00 0.00 46.02 44.58 1pe0 n GLY 75 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1pe0 h ASN 76 N 0.00 -1.19 -0.26 1.61 2.35 -1.97 0.20 115.58 116.32 1pe0 h ASN 76 Ca 0.00 0.12 -0.07 0.00 -0.55 0.00 0.00 56.30 55.80 1pe0 h ASN 76 Cb 0.00 0.42 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 1pe0 h ASN 76 CO 0.00 -0.53 -0.05 0.25 -1.65 0.00 0.00 177.43 175.45 1pe0 h LEU 77 N -0.75 0.59 -0.18 1.61 5.85 -1.88 -2.04 115.31 118.51 1pe0 h LEU 77 Ca -0.01 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1pe0 h LEU 77 Cb 0.72 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1pe0 h LEU 77 CO -0.16 0.70 0.08 1.23 -0.34 0.00 0.00 178.44 179.95 1pe0 h GLY 78 N 0.93 0.28 1.81 3.75 0.00 -1.11 -0.88 103.07 107.85 1pe0 h GLY 78 Ca 0.11 -0.15 -0.06 0.00 0.00 0.00 0.00 47.33 47.23 1pe0 h GLY 78 CO 0.02 0.14 -0.21 0.00 0.00 0.00 0.00 176.54 176.49 1pe0 h ALA 79 N 0.93 1.40 -0.19 3.60 0.00 -0.48 -1.35 119.26 123.17 1pe0 h ALA 79 Ca 0.06 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1pe0 h ALA 79 Cb 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1pe0 h ALA 79 CO -0.01 0.42 -0.05 0.37 0.00 0.00 0.00 179.25 179.99 1pe0 h GLN 80 N 0.21 0.37 -0.68 0.00 4.15 -1.06 0.12 115.11 118.21 1pe0 h GLN 80 Ca 0.04 -0.14 -0.00 0.00 0.77 0.00 0.00 58.65 59.32 1pe0 h GLN 80 Cb 0.49 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.13 1pe0 h GLN 80 CO 0.03 0.62 0.42 -0.91 -1.93 0.00 0.00 178.83 177.07 1pe0 h ASN 81 N 0.09 0.81 -0.57 -0.69 -0.26 -0.85 -1.05 115.58 113.06 1pe0 h ASN 81 Ca 0.05 -0.05 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 1pe0 h ASN 81 Cb 0.49 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 37.52 1pe0 h ASN 81 CO 0.02 0.62 0.33 -0.07 -1.06 0.00 0.00 177.43 177.27 1pe0 h LEU 82 N 0.93 0.70 -1.78 1.61 3.38 -1.11 -2.64 115.31 116.40 1pe0 h LEU 82 Ca 0.25 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1pe0 h LEU 82 Cb -0.05 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 1pe0 h LEU 82 CO -0.05 0.58 -0.15 0.28 0.09 0.00 0.00 178.44 179.19 1pe0 h SER 83 N 0.77 0.00 -0.19 -0.43 0.02 -0.26 -2.65 113.55 110.81 1pe0 h SER 83 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1pe0 h SER 83 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1pe0 h SER 83 CO -0.03 0.15 0.00 -0.62 -1.14 0.00 0.00 176.83 175.19 1pe0 n GLU 84 N -4.03 2.09 -3.28 3.45 1.02 -0.46 -4.78 120.64 114.65 1pe0 n GLU 84 Ca -0.02 -1.63 -0.39 0.00 -0.02 0.00 0.00 57.16 55.09 1pe0 n GLU 84 Cb 0.24 -1.46 -0.08 0.00 -0.02 0.00 0.00 31.44 30.12 1pe0 n GLU 84 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1pe0 s SER 85 N -1.69 6.41 0.33 1.62 0.15 -1.00 -4.94 113.70 114.58 1pe0 s SER 85 Ca 0.34 0.48 0.11 0.00 0.70 0.00 0.00 55.95 57.58 1pe0 s SER 85 Cb 0.20 -2.26 0.57 0.00 -1.71 0.00 0.00 66.02 62.82 1pe0 s SER 85 CO 0.30 -0.23 1.74 0.00 1.20 0.00 0.00 173.24 176.25 1pe0 h ALA 86 N 7.94 1.22 -0.58 5.45 0.00 -1.91 -1.79 119.26 129.59 1pe0 h ALA 86 Ca -0.31 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.14 1pe0 h ALA 86 Cb 1.15 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1pe0 h ALA 86 CO 0.70 0.57 0.16 0.00 0.00 0.00 0.00 179.25 180.68 1pe0 h ALA 87 N 1.51 0.76 -0.35 0.00 0.00 -1.95 -1.82 119.26 117.41 1pe0 h ALA 87 Ca 0.00 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 1pe0 h ALA 87 Cb 0.80 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1pe0 h ALA 87 CO 0.06 0.45 -0.36 0.28 0.00 0.00 0.00 179.25 179.68 1pe0 h VAL 88 N 0.83 1.28 -0.29 0.00 2.07 -1.78 -2.14 116.25 116.23 1pe0 h VAL 88 Ca 0.18 -1.52 0.04 0.00 0.82 0.00 0.00 66.70 66.23 1pe0 h VAL 88 Cb 0.32 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 1pe0 h VAL 88 CO -0.00 0.50 0.03 0.50 0.02 0.00 0.00 177.57 178.62 1pe0 h LYS 89 N 0.67 0.12 -0.16 1.57 3.64 -1.05 0.56 116.57 121.91 1pe0 h LYS 89 Ca 0.06 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1pe0 h LYS 89 Cb 0.91 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 1pe0 h LYS 89 CO 0.08 0.08 0.10 1.49 -2.27 0.00 0.00 179.45 178.93 1pe0 h GLU 90 N 0.13 0.22 -0.24 1.90 4.81 -1.23 0.15 114.58 120.32 1pe0 h GLU 90 Ca 0.13 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 1pe0 h GLU 90 Cb 0.16 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1pe0 h GLU 90 CO -0.20 0.18 0.11 0.82 -0.73 0.00 0.00 179.01 179.19 1pe0 h ILE 91 N 0.19 0.98 -0.45 2.32 2.04 -1.02 -1.63 117.51 119.94 1pe0 h ILE 91 Ca 0.06 -0.08 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 1pe0 h ILE 91 Cb 0.02 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1pe0 h ILE 91 CO -0.01 0.04 0.03 -0.07 0.00 0.00 0.00 178.15 178.15 1pe0 h LEU 92 N 0.24 0.75 -0.36 1.44 3.38 -0.69 -1.30 115.31 118.78 1pe0 h LEU 92 Ca 0.10 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1pe0 h LEU 92 Cb 0.04 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1pe0 h LEU 92 CO -0.08 0.85 0.23 0.11 0.09 0.00 0.00 178.44 179.65 1pe0 h LYS 93 N 0.62 0.48 -0.27 1.13 1.79 -0.86 -1.11 116.57 118.35 1pe0 h LYS 93 Ca 0.13 -0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.47 1pe0 h LYS 93 Cb 0.45 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.98 1pe0 h LYS 93 CO 0.02 0.33 -0.26 0.93 -1.08 0.00 0.00 179.45 179.39 1pe0 h GLU 94 N 0.48 0.53 -0.35 3.15 5.08 -1.22 -1.23 114.58 121.02 1pe0 h GLU 94 Ca 0.13 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 1pe0 h GLU 94 Cb -0.04 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1pe0 h GLU 94 CO -0.03 0.74 0.01 0.37 -1.00 0.00 0.00 179.01 179.10 1pe0 h GLN 95 N 0.46 0.61 -0.45 2.33 5.75 -0.97 -2.05 115.11 120.79 1pe0 h GLN 95 Ca 0.07 -0.19 -0.02 0.00 -0.15 0.00 0.00 58.65 58.36 1pe0 h GLN 95 Cb 0.69 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.17 1pe0 h GLN 95 CO 0.05 0.72 0.22 1.49 -2.65 0.00 0.00 178.83 178.66 1pe0 h GLU 96 N 0.43 0.65 -0.42 1.69 4.81 -1.03 0.62 114.58 121.33 1pe0 h GLU 96 Ca 0.10 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1pe0 h GLU 96 Cb 0.44 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1pe0 h GLU 96 CO 0.02 0.56 0.27 -0.91 -0.73 0.00 0.00 179.01 178.22 1pe0 h ASN 97 N 0.59 0.48 -0.41 1.04 -0.26 -1.08 -2.04 115.58 113.91 1pe0 h ASN 97 Ca 0.16 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.88 1pe0 h ASN 97 Cb 0.12 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1pe0 h ASN 97 CO -0.02 0.36 0.00 -2.11 -1.06 0.00 0.00 177.43 174.60 1pe0 n ARG 98 N -4.47 2.32 -3.43 0.81 1.85 -0.79 -4.91 116.66 108.05 1pe0 n ARG 98 Ca 0.03 -1.62 -0.20 0.00 -1.00 0.00 0.00 57.85 55.06 1pe0 n ARG 98 Cb 0.06 -1.49 0.07 0.00 -1.05 0.00 0.00 32.46 30.05 1pe0 n ARG 98 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1pe0 n LYS 99 N 0.66 -6.78 -4.00 2.89 4.76 -0.77 -5.01 118.16 109.91 1pe0 n LYS 99 Ca 0.15 0.72 -0.36 0.00 -2.87 0.00 0.00 58.31 55.95 1pe0 n LYS 99 Cb 0.48 -5.42 -0.07 0.00 -1.84 0.00 0.00 35.03 28.18 1pe0 n LYS 99 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1pe0 s GLY 100 N -3.36 2.09 0.37 0.72 0.00 0.19 -5.04 107.32 102.28 1pe0 s GLY 100 Ca 0.46 -0.71 -0.28 0.00 0.00 0.00 0.00 44.72 44.20 1pe0 s GLY 100 CO 0.63 -0.48 1.40 -2.27 0.00 0.00 0.00 173.10 172.38 1pe0 s LEU 101 N -1.14 4.32 -0.08 0.66 2.96 -1.15 -4.37 118.68 119.87 1pe0 s LEU 101 Ca 0.16 2.87 0.02 0.00 -0.22 0.00 0.00 54.13 56.96 1pe0 s LEU 101 Cb -0.12 -3.72 0.02 0.00 0.50 0.00 0.00 46.19 42.87 1pe0 s LEU 101 CO 0.06 -0.79 -0.12 -0.63 -1.32 0.00 0.00 176.35 173.55 1pe0 s ILE 102 N -1.15 1.20 -0.06 6.68 1.01 -0.65 -1.81 121.20 126.41 1pe0 s ILE 102 Ca 0.53 -0.48 0.04 0.00 0.00 0.00 0.00 60.65 60.73 1pe0 s ILE 102 Cb -0.43 -1.12 0.00 0.00 0.01 0.00 0.00 42.46 40.93 1pe0 s ILE 102 CO 0.57 0.38 -0.17 0.00 0.00 0.00 0.00 174.94 175.72 1pe0 s ALA 103 N 0.91 1.57 0.01 9.38 0.00 -0.03 -1.22 121.76 132.38 1pe0 s ALA 103 Ca -0.10 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.22 1pe0 s ALA 103 Cb -0.15 -0.60 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 1pe0 s ALA 103 CO 0.01 0.22 -0.01 0.00 0.00 0.00 0.00 175.76 175.97 1pe0 s ALA 104 N 0.33 0.09 0.05 0.00 0.00 -0.04 0.14 121.76 122.33 1pe0 s ALA 104 Ca -0.11 -0.18 0.05 0.00 0.00 0.00 0.00 51.96 51.72 1pe0 s ALA 104 Cb -0.15 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 1pe0 s ALA 104 CO 0.04 -0.03 -0.15 -1.50 0.00 0.00 0.00 175.76 174.12 1pe0 s ILE 105 N -0.39 1.20 0.00 0.00 2.07 -0.86 -1.74 121.20 121.46 1pe0 s ILE 105 Ca -0.04 -1.14 0.00 0.00 -1.41 0.00 0.00 60.65 58.07 1pe0 s ILE 105 Cb -0.03 -1.10 0.00 0.00 0.13 0.00 0.00 42.46 41.46 1pe0 s ILE 105 CO -0.00 -0.05 0.00 0.00 -1.91 0.00 0.00 174.94 172.98 1pe0 n ALA 107 N 8.18 3.10 -0.31 0.00 0.00 -1.26 -1.61 120.51 128.61 1pe0 n ALA 107 Ca 0.00 -0.32 0.12 0.00 0.00 0.00 0.00 53.44 53.24 1pe0 n ALA 107 Cb 0.00 -1.07 0.29 0.00 0.00 0.00 0.00 19.45 18.67 1pe0 n ALA 107 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1pe0 h GLY 108 N 4.48 1.53 1.62 0.00 0.00 -1.06 -1.54 103.07 108.08 1pe0 h GLY 108 Ca 0.00 -0.20 0.02 0.00 0.00 0.00 0.00 47.33 47.14 1pe0 h GLY 108 CO 0.00 -0.20 0.18 -2.55 0.00 0.00 0.00 176.54 173.97 1pe0 h PRO 109 N 0.48 0.00 0.00 4.80 0.11 -1.76 -0.85 132.00 134.78 1pe0 h PRO 109 Ca 0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.65 1pe0 h PRO 109 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1pe0 h PRO 109 CO -0.48 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 179.10 1pe0 h THR 110 N 0.00 0.00 0.00 -1.15 1.35 -1.59 0.50 112.91 112.01 1pe0 h THR 110 Ca 0.03 -0.35 -0.08 0.00 -0.55 0.00 0.00 66.41 65.45 1pe0 h THR 110 Cb 0.38 1.32 -0.01 0.00 -1.73 0.00 0.00 68.15 68.10 1pe0 h THR 110 CO -0.00 0.00 -0.39 0.00 -0.25 0.00 0.00 175.52 174.88 1pe0 h ALA 111 N 2.02 1.04 -0.40 6.62 0.00 -1.32 -1.49 119.26 125.72 1pe0 h ALA 111 Ca 0.00 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.41 1pe0 h ALA 111 Cb 0.36 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1pe0 h ALA 111 CO 0.00 0.49 -0.31 -0.07 0.00 0.00 0.00 179.25 179.35 1pe0 h LEU 112 N 0.00 0.98 -0.25 0.00 3.38 -1.03 -2.17 115.31 116.22 1pe0 h LEU 112 Ca -0.00 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 1pe0 h LEU 112 Cb 0.87 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1pe0 h LEU 112 CO 0.05 1.21 0.04 0.25 0.09 0.00 0.00 178.44 180.08 1pe0 h LEU 113 N 0.75 0.39 -1.21 1.67 5.85 -1.30 0.21 115.31 121.67 1pe0 h LEU 113 Ca 0.07 -0.26 0.08 0.00 0.84 0.00 0.00 57.88 58.61 1pe0 h LEU 113 Cb 0.90 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.77 1pe0 h LEU 113 CO 0.08 0.55 0.56 0.00 -0.34 0.00 0.00 178.44 179.30 1pe0 h ALA 114 N 0.85 1.59 -0.67 1.25 0.00 -1.20 -1.69 119.26 119.41 1pe0 h ALA 114 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1pe0 h ALA 114 Cb 0.32 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1pe0 h ALA 114 CO 0.00 0.26 0.00 0.72 0.00 0.00 0.00 179.25 180.23 1pe0 n HIS 115 N -4.50 1.53 -3.83 0.00 8.25 -0.83 -4.96 115.22 110.88 1pe0 n HIS 115 Ca 0.14 -0.61 -0.29 0.00 -0.26 0.00 0.00 57.72 56.70 1pe0 n HIS 115 Cb 0.24 -0.25 0.01 0.00 1.12 0.00 0.00 29.99 31.12 1pe0 n HIS 115 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1pe0 n GLU 116 N 1.18 -2.30 -4.14 -0.41 1.02 -0.57 -4.91 120.64 110.51 1pe0 n GLU 116 Ca 0.26 0.42 -0.35 0.00 -0.02 0.00 0.00 57.16 57.47 1pe0 n GLU 116 Cb 0.91 -4.26 -0.09 0.00 -0.02 0.00 0.00 31.44 27.97 1pe0 n GLU 116 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1pe0 s ILE 117 N -3.71 4.67 -1.56 -3.67 -1.09 0.64 -4.62 121.20 111.86 1pe0 s ILE 117 Ca 0.23 -0.09 -0.03 0.00 -2.23 0.00 0.00 60.65 58.53 1pe0 s ILE 117 Cb -0.09 -3.04 0.01 0.00 -1.58 0.00 0.00 42.46 37.76 1pe0 s ILE 117 CO 0.88 0.53 0.31 0.61 -1.23 0.00 0.00 174.94 176.04 1pe0 n GLY 118 N 2.85 -0.51 3.67 6.18 0.00 -1.26 -4.65 105.19 111.46 1pe0 n GLY 118 Ca -0.18 0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 1pe0 n GLY 118 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1pe0 n PHE 119 N -4.15 2.06 0.00 1.61 0.99 -1.26 -1.48 117.46 115.22 1pe0 n PHE 119 Ca -0.16 0.58 0.00 0.00 -0.00 0.00 0.00 57.45 57.87 1pe0 n PHE 119 Cb 0.64 -2.38 0.00 0.00 -1.00 0.00 0.00 39.48 36.73 1pe0 n PHE 119 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1pe0 n GLY 120 N 0.96 1.87 3.80 1.37 0.00 0.18 -5.00 105.19 108.38 1pe0 n GLY 120 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1pe0 n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pe0 s SER 121 N -1.83 5.82 -0.08 1.61 0.01 -0.55 -4.58 113.70 114.10 1pe0 s SER 121 Ca 0.00 1.87 -0.24 0.00 1.31 0.00 0.00 55.95 58.90 1pe0 s SER 121 Cb 0.00 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.65 1pe0 s SER 121 CO 0.00 -1.14 0.71 -0.75 0.41 0.00 0.00 173.24 172.47 1pe0 s LYS 122 N -3.89 4.42 0.11 12.44 2.20 -1.26 -1.86 119.74 131.90 1pe0 s LYS 122 Ca 0.65 0.89 -0.03 0.00 -0.36 0.00 0.00 55.97 57.12 1pe0 s LYS 122 Cb -0.17 -3.46 -0.03 0.00 -1.51 0.00 0.00 37.83 32.66 1pe0 s LYS 122 CO 0.34 0.03 0.07 0.14 -0.36 0.00 0.00 175.35 175.56 1pe0 s VAL 123 N 0.93 0.14 0.24 4.02 -7.23 0.47 -4.45 120.40 114.52 1pe0 s VAL 123 Ca 0.37 -1.75 0.03 0.00 -1.81 0.00 0.00 61.98 58.82 1pe0 s VAL 123 Cb -0.18 -1.81 -0.05 0.00 0.56 0.00 0.00 36.38 34.91 1pe0 s VAL 123 CO 0.18 -0.62 0.01 0.28 -0.31 0.00 0.00 175.10 174.64 1pe0 s THR 124 N -3.98 1.01 0.27 5.32 -1.32 -1.26 -0.28 115.64 115.39 1pe0 s THR 124 Ca 0.17 -2.03 -0.07 0.00 -1.21 0.00 0.00 61.69 58.54 1pe0 s THR 124 Cb 0.07 -2.40 0.03 0.00 -1.51 0.00 0.00 72.50 68.69 1pe0 s THR 124 CO -0.03 -0.28 0.49 0.35 -2.21 0.00 0.00 174.62 172.94 1pe0 n THR 125 N -0.44 0.00 -2.33 5.08 -2.24 -1.26 -4.30 114.28 108.79 1pe0 n THR 125 Ca -0.04 -0.88 -0.37 0.00 -2.27 0.00 0.00 64.05 60.49 1pe0 n THR 125 Cb 0.64 0.72 -0.02 0.00 -2.10 0.00 0.00 70.33 69.58 1pe0 n THR 125 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1pe0 s HIS 126 N -3.99 2.96 0.37 4.78 2.46 -0.63 -4.50 115.29 116.74 1pe0 s HIS 126 Ca 0.14 1.56 0.15 0.00 0.47 0.00 0.00 55.06 57.38 1pe0 s HIS 126 Cb -0.03 -3.32 1.01 0.00 -0.13 0.00 0.00 32.58 30.12 1pe0 s HIS 126 CO 0.10 -1.30 1.77 -1.35 -2.47 0.00 0.00 174.74 171.50 1pe0 h PRO 127 N 2.13 0.47 0.00 2.88 0.11 -1.93 0.12 132.00 135.78 1pe0 h PRO 127 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1pe0 h PRO 127 Cb 1.24 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1pe0 h PRO 127 CO 0.61 0.31 0.00 1.28 -0.21 0.00 0.00 178.00 179.98 1pe0 n LEU 128 N -4.68 0.40 -0.59 2.35 4.77 -1.26 -2.42 117.00 115.57 1pe0 n LEU 128 Ca 0.25 0.60 0.07 0.00 -0.03 0.00 0.00 56.01 56.89 1pe0 n LEU 128 Cb 0.79 -0.55 0.09 0.00 -2.33 0.00 0.00 43.42 41.42 1pe0 n LEU 128 CO 0.24 -0.44 0.51 0.00 -1.33 0.00 0.00 177.39 176.36 1pe0 n ALA 129 N -1.66 2.41 0.03 -1.18 0.00 0.38 -4.67 120.51 115.81 1pe0 n ALA 129 Ca 0.03 -0.74 -0.11 0.00 0.00 0.00 0.00 53.44 52.62 1pe0 n ALA 129 Cb 0.20 -0.47 -0.05 0.00 0.00 0.00 0.00 19.45 19.14 1pe0 n ALA 129 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1pe0 h ARG 130 N 2.56 -0.10 -0.67 0.00 2.43 -1.22 -1.04 114.38 116.33 1pe0 h ARG 130 Ca 0.00 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1pe0 h ARG 130 Cb 0.61 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.14 1pe0 h ARG 130 CO 0.00 -0.07 0.43 -0.44 -1.51 0.00 0.00 179.97 178.38 1pe0 h ASP 131 N -0.11 0.72 -0.20 -3.80 3.32 -1.83 -0.74 116.42 113.78 1pe0 h ASP 131 Ca 0.05 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1pe0 h ASP 131 Cb 0.18 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1pe0 h ASP 131 CO -0.12 0.51 0.11 0.50 -1.72 0.00 0.00 179.24 178.52 1pe0 h LYS 132 N 0.85 0.28 -0.58 3.56 3.64 -1.82 -2.20 116.57 120.30 1pe0 h LYS 132 Ca 0.26 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 1pe0 h LYS 132 Cb -0.03 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 1pe0 h LYS 132 CO -0.09 0.27 0.22 1.98 -2.27 0.00 0.00 179.45 179.56 1pe0 h MET 133 N 0.22 0.85 -0.14 1.90 4.05 -0.85 -2.80 114.93 118.16 1pe0 h MET 133 Ca 0.07 -0.14 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 1pe0 h MET 133 Cb 0.07 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 30.72 1pe0 h MET 133 CO -0.01 0.71 0.00 -1.33 0.23 0.00 0.00 176.91 176.51 1pe0 n MET 134 N -4.32 1.68 -1.82 0.39 2.81 -0.31 -4.73 117.12 110.83 1pe0 n MET 134 Ca 0.05 -1.01 -0.42 0.00 -1.81 0.00 0.00 57.70 54.50 1pe0 n MET 134 Cb 0.17 -1.40 -0.03 0.00 -0.71 0.00 0.00 33.22 31.26 1pe0 n MET 134 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1pe0 s ASN 135 N -1.62 6.39 0.00 7.83 3.84 -0.84 -0.85 114.94 129.69 1pe0 s ASN 135 Ca 0.33 2.33 0.00 0.00 0.21 0.00 0.00 52.86 55.73 1pe0 s ASN 135 Cb 0.18 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.35 1pe0 s ASN 135 CO 0.27 -1.14 0.00 0.61 -2.79 0.00 0.00 177.10 174.05 1pe0 n GLY 136 N 4.57 0.73 3.67 1.21 0.00 -1.26 -4.52 105.19 109.59 1pe0 n GLY 136 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 1pe0 n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pe0 n GLY 137 N -2.00 -0.39 0.69 -0.02 0.00 -0.03 -4.89 105.19 98.55 1pe0 n GLY 137 Ca 0.00 0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.28 1pe0 n GLY 137 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pe0 n HIS 138 N -4.46 0.28 -4.09 1.61 8.25 -1.26 -4.91 115.22 110.64 1pe0 n HIS 138 Ca -0.17 -0.14 -0.13 0.00 -0.26 0.00 0.00 57.72 57.02 1pe0 n HIS 138 Cb 0.62 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.68 1pe0 n HIS 138 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1pe0 s TYR 139 N -1.72 0.92 -0.13 4.41 2.02 -1.26 0.51 117.35 122.10 1pe0 s TYR 139 Ca 0.33 -1.17 -0.00 0.00 -0.37 0.00 0.00 57.07 55.86 1pe0 s TYR 139 Cb 0.18 -0.11 -0.01 0.00 -0.40 0.00 0.00 41.96 41.62 1pe0 s TYR 139 CO 0.27 -1.02 -0.13 0.99 -1.57 0.00 0.00 175.55 174.09 1pe0 s THR 140 N -3.48 3.02 0.38 -0.71 2.01 -0.78 -4.93 115.64 111.15 1pe0 s THR 140 Ca 0.30 -0.67 -0.15 0.00 0.31 0.00 0.00 61.69 61.48 1pe0 s THR 140 Cb 0.01 -2.27 -0.08 0.00 0.01 0.00 0.00 72.50 70.16 1pe0 s THR 140 CO 0.16 0.52 0.80 -0.47 -0.69 0.00 0.00 174.62 174.94 1pe0 s TYR 141 N 0.42 3.40 0.04 4.92 5.04 -1.26 -0.39 117.35 129.51 1pe0 s TYR 141 Ca -0.10 1.24 0.01 0.00 -2.44 0.00 0.00 57.07 55.78 1pe0 s TYR 141 Cb -0.16 -2.58 -0.03 0.00 0.35 0.00 0.00 41.96 39.55 1pe0 s TYR 141 CO 0.05 -0.04 -0.05 0.45 -1.34 0.00 0.00 175.55 174.62 1pe0 s SER 142 N -2.59 0.58 -0.01 4.32 0.15 0.61 -4.80 113.70 111.96 1pe0 s SER 142 Ca 0.55 -0.63 0.12 0.00 0.70 0.00 0.00 55.95 56.69 1pe0 s SER 142 Cb -0.10 0.09 0.34 0.00 -1.71 0.00 0.00 66.02 64.64 1pe0 s SER 142 CO 0.22 -0.32 1.28 -0.62 1.20 0.00 0.00 173.24 175.00 1pe0 n GLU 143 N 1.21 2.87 -2.17 5.44 1.02 -1.26 -4.39 120.64 123.36 1pe0 n GLU 143 Ca -0.21 -2.12 -0.41 0.00 -0.02 0.00 0.00 57.16 54.40 1pe0 n GLU 143 Cb 0.56 -1.31 -0.03 0.00 -0.02 0.00 0.00 31.44 30.64 1pe0 n GLU 143 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1pe0 s ASN 144 N -1.03 6.85 0.41 1.62 0.02 -1.26 -4.89 114.94 116.66 1pe0 s ASN 144 Ca 0.26 2.59 0.14 0.00 -1.02 0.00 0.00 52.86 54.82 1pe0 s ASN 144 Cb 0.14 -2.64 0.99 0.00 0.02 0.00 0.00 41.25 39.76 1pe0 s ASN 144 CO 0.17 -0.50 1.93 0.03 0.02 0.00 0.00 177.10 178.75 1pe0 h ARG 145 N 3.89 0.46 -3.94 -0.60 3.08 -1.94 -3.38 114.38 111.94 1pe0 h ARG 145 Ca -0.48 -0.03 -0.38 0.00 0.07 0.00 0.00 59.98 59.16 1pe0 h ARG 145 Cb 1.22 -0.10 -0.34 0.00 0.08 0.00 0.00 29.97 30.83 1pe0 h ARG 145 CO 0.68 0.30 -0.76 0.08 -1.07 0.00 0.00 179.97 179.21 1pe0 s VAL 146 N -5.46 0.41 -0.12 2.04 1.01 -1.26 -2.82 120.40 114.21 1pe0 s VAL 146 Ca -0.08 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1pe0 s VAL 146 Cb 0.21 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 36.15 1pe0 s VAL 146 CO 0.77 0.19 -0.18 -0.70 0.00 0.00 0.00 175.10 175.18 1pe0 s GLU 147 N 0.87 2.54 -0.22 2.72 2.56 0.52 -5.00 118.70 122.70 1pe0 s GLU 147 Ca -0.11 -0.68 0.01 0.00 0.00 0.00 0.00 54.97 54.19 1pe0 s GLU 147 Cb -0.14 -2.11 0.05 0.00 2.00 0.00 0.00 34.13 33.94 1pe0 s GLU 147 CO -0.00 -0.04 -0.08 0.21 -0.56 0.00 0.00 175.26 174.78 1pe0 s LYS 148 N 0.92 1.89 -0.42 4.30 2.20 -1.26 -0.25 119.74 127.12 1pe0 s LYS 148 Ca -0.07 -0.93 0.02 0.00 -0.36 0.00 0.00 55.97 54.64 1pe0 s LYS 148 Cb -0.15 -2.50 0.11 0.00 -1.51 0.00 0.00 37.83 33.78 1pe0 s LYS 148 CO -0.02 -0.50 0.16 0.34 -0.36 0.00 0.00 175.35 174.97 1pe0 s ASP 149 N 1.38 4.79 1.83 1.43 -1.08 0.01 -5.00 116.67 120.03 1pe0 s ASP 149 Ca -0.03 -2.38 0.00 0.00 -0.52 0.00 0.00 52.55 49.61 1pe0 s ASP 149 Cb -0.17 -1.69 0.00 0.00 -1.46 0.00 0.00 42.92 39.60 1pe0 s ASP 149 CO -0.07 -0.38 0.00 0.61 0.52 0.00 0.00 175.17 175.85 1pe0 n GLY 150 N 3.99 3.75 1.69 2.66 0.00 -1.26 -1.90 105.19 114.12 1pe0 n GLY 150 Ca 0.03 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.09 1pe0 n GLY 150 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pe0 n LEU 151 N 0.00 5.03 -4.12 0.99 4.77 -1.26 -4.78 117.00 117.63 1pe0 n LEU 151 Ca 0.00 -2.55 -0.33 0.00 -0.03 0.00 0.00 56.01 53.10 1pe0 n LEU 151 Cb 0.00 -0.66 -0.15 0.00 -2.33 0.00 0.00 43.42 40.28 1pe0 n LEU 151 CO 0.00 0.58 -0.48 -0.63 -1.33 0.00 0.00 177.39 175.53 1pe0 s ILE 152 N -2.48 2.26 -0.16 -0.08 -1.09 -0.80 -1.64 121.20 117.22 1pe0 s ILE 152 Ca 0.47 -1.22 0.01 0.00 -2.23 0.00 0.00 60.65 57.67 1pe0 s ILE 152 Cb 0.35 -2.14 0.02 0.00 -1.58 0.00 0.00 42.46 39.12 1pe0 s ILE 152 CO 0.14 0.26 -0.17 -0.22 -1.23 0.00 0.00 174.94 173.72 1pe0 s LEU 153 N 1.23 1.87 0.22 2.97 0.20 -0.36 -0.81 118.68 124.00 1pe0 s LEU 153 Ca -0.01 -0.55 0.07 0.00 0.69 0.00 0.00 54.13 54.33 1pe0 s LEU 153 Cb -0.16 -1.30 -0.05 0.00 -0.43 0.00 0.00 46.19 44.25 1pe0 s LEU 153 CO -0.08 -0.02 -0.13 0.42 -0.29 0.00 0.00 176.35 176.25 1pe0 s THR 154 N 1.32 1.70 0.22 3.68 -4.23 0.66 -0.86 115.64 118.12 1pe0 s THR 154 Ca 0.03 -2.19 -0.06 0.00 -1.18 0.00 0.00 61.69 58.29 1pe0 s THR 154 Cb -0.13 -2.12 -0.03 0.00 1.34 0.00 0.00 72.50 71.57 1pe0 s THR 154 CO -0.10 -0.54 0.27 -0.55 -0.54 0.00 0.00 174.62 173.16 1pe0 s SER 155 N -3.33 0.06 -0.09 3.99 0.15 -0.71 -0.35 113.70 113.41 1pe0 s SER 155 Ca 0.24 -1.20 -0.04 0.00 0.70 0.00 0.00 55.95 55.65 1pe0 s SER 155 Cb 0.00 0.46 -0.26 0.00 -1.71 0.00 0.00 66.02 64.51 1pe0 s SER 155 CO 0.08 -0.96 0.50 0.03 1.20 0.00 0.00 173.24 174.09 1pe0 h ARG 156 N 2.48 0.24 0.00 5.44 2.47 -1.75 -1.05 114.38 122.21 1pe0 h ARG 156 Ca -0.32 -0.41 0.01 0.00 -1.26 0.00 0.00 59.98 58.01 1pe0 h ARG 156 Cb 1.25 0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 29.72 1pe0 h ARG 156 CO 0.46 1.10 0.04 0.41 0.56 0.00 0.00 179.97 182.54 1pe0 n GLY 157 N 1.88 0.60 0.30 0.04 0.00 -1.26 -2.73 105.19 104.01 1pe0 n GLY 157 Ca -0.27 -0.84 0.09 0.00 0.00 0.00 0.00 46.02 45.00 1pe0 n GLY 157 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1pe0 h PRO 158 N 0.00 0.36 0.00 1.61 0.11 -1.98 0.74 132.00 132.84 1pe0 h PRO 158 Ca -0.01 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1pe0 h PRO 158 Cb 0.05 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.08 1pe0 h PRO 158 CO 0.01 0.24 0.00 0.41 -0.21 0.00 0.00 178.00 178.45 1pe0 n GLY 159 N -1.34 -0.86 0.35 -0.55 0.00 -1.26 -2.11 105.19 99.42 1pe0 n GLY 159 Ca 0.18 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 46.17 1pe0 n GLY 159 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pe0 n THR 160 N -1.34 0.62 -0.32 2.61 -2.24 0.22 -4.72 114.28 109.12 1pe0 n THR 160 Ca 0.07 -0.81 0.01 0.00 -2.27 0.00 0.00 64.05 61.04 1pe0 n THR 160 Cb 0.14 0.74 0.14 0.00 -2.10 0.00 0.00 70.33 69.25 1pe0 n THR 160 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1pe0 h SER 161 N 1.29 0.87 -0.27 3.42 0.02 -1.08 0.91 113.55 118.72 1pe0 h SER 161 Ca 0.00 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 1pe0 h SER 161 Cb 0.51 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1pe0 h SER 161 CO 0.00 0.57 0.02 -0.26 -1.14 0.00 0.00 176.83 176.02 1pe0 h PHE 162 N 1.01 0.50 -0.92 3.45 -1.00 -1.84 0.40 116.94 118.54 1pe0 h PHE 162 Ca 0.38 -0.08 -0.01 0.00 2.81 0.00 0.00 57.97 61.07 1pe0 h PHE 162 Cb 0.15 -0.13 -0.04 0.00 3.61 0.00 0.00 35.95 39.53 1pe0 h PHE 162 CO -0.03 0.60 0.55 0.93 -1.61 0.00 0.00 178.31 178.75 1pe0 h GLU 163 N 0.26 1.25 0.09 1.51 5.08 -1.79 0.16 114.58 121.13 1pe0 h GLU 163 Ca 0.08 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1pe0 h GLU 163 Cb 0.38 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1pe0 h GLU 163 CO 0.01 0.87 -0.04 0.35 -1.00 0.00 0.00 179.01 179.20 1pe0 h PHE 164 N 1.27 -0.11 -0.68 4.33 3.57 -0.62 -0.80 116.94 123.90 1pe0 h PHE 164 Ca 0.33 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.79 1pe0 h PHE 164 Cb -0.05 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 1pe0 h PHE 164 CO 0.01 0.03 0.29 0.00 -2.23 0.00 0.00 178.31 176.40 1pe0 h ALA 165 N 0.69 0.88 -0.01 2.41 0.00 -0.51 -1.99 119.26 120.72 1pe0 h ALA 165 Ca -0.01 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1pe0 h ALA 165 Cb 0.18 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1pe0 h ALA 165 CO 0.02 0.48 -0.38 -0.07 0.00 0.00 0.00 179.25 179.30 1pe0 h LEU 166 N 0.96 0.03 -0.67 0.00 3.38 -0.88 -0.85 115.31 117.26 1pe0 h LEU 166 Ca 0.23 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.08 1pe0 h LEU 166 Cb 0.17 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1pe0 h LEU 166 CO -0.02 0.40 -0.17 0.00 0.09 0.00 0.00 178.44 178.74 1pe0 h ALA 167 N 1.60 0.86 -0.29 1.53 0.00 -0.62 0.41 119.26 122.75 1pe0 h ALA 167 Ca -0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 1pe0 h ALA 167 Cb 0.67 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1pe0 h ALA 167 CO 0.05 0.64 -0.04 0.82 0.00 0.00 0.00 179.25 180.72 1pe0 h ILE 168 N 0.76 1.27 -0.68 0.00 2.04 -0.85 -1.42 117.51 118.63 1pe0 h ILE 168 Ca 0.11 -1.03 0.02 0.00 1.00 0.00 0.00 64.86 64.96 1pe0 h ILE 168 Cb 0.69 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 1pe0 h ILE 168 CO 0.05 0.33 0.44 0.58 0.00 0.00 0.00 178.15 179.55 1pe0 h VAL 169 N 0.32 1.13 -0.62 1.67 2.07 -0.90 -1.36 116.25 118.56 1pe0 h VAL 169 Ca 0.08 -0.30 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 1pe0 h VAL 169 Cb 0.50 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1pe0 h VAL 169 CO 0.02 0.16 0.07 -0.08 0.02 0.00 0.00 177.57 177.76 1pe0 h GLU 170 N 0.88 1.04 -0.37 1.57 4.81 -0.79 0.22 114.58 121.94 1pe0 h GLU 170 Ca 0.26 -0.30 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 1pe0 h GLU 170 Cb -0.04 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1pe0 h GLU 170 CO -0.08 0.99 -0.01 0.00 -0.73 0.00 0.00 179.01 179.18 1pe0 h ALA 171 N 1.01 1.30 0.07 2.92 0.00 -0.81 -0.44 119.26 123.32 1pe0 h ALA 171 Ca 0.18 -0.22 -0.27 0.00 0.00 0.00 0.00 54.91 54.60 1pe0 h ALA 171 Cb 0.47 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1pe0 h ALA 171 CO 0.02 0.47 -1.46 -0.07 0.00 0.00 0.00 179.25 178.21 1pe0 h LEU 172 N 0.55 0.24 -0.97 0.00 4.07 -1.08 -3.42 115.31 114.70 1pe0 h LEU 172 Ca 0.12 -0.76 0.00 0.00 0.08 0.00 0.00 57.88 57.31 1pe0 h LEU 172 Cb 0.37 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.03 1pe0 h LEU 172 CO 0.01 1.62 -0.06 0.59 -1.08 0.00 0.00 178.44 179.52 1pe0 n ASN 173 N -4.01 1.26 0.00 -0.43 3.02 0.77 -5.04 115.26 110.83 1pe0 n ASN 173 Ca -0.29 -1.13 0.00 0.00 -0.03 0.00 0.00 54.58 53.13 1pe0 n ASN 173 Cb 0.85 0.22 0.00 0.00 -0.61 0.00 0.00 39.78 40.24 1pe0 n ASN 173 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pe0 n GLY 174 N 0.53 2.27 0.31 7.41 0.00 -0.18 -4.49 105.19 111.05 1pe0 n GLY 174 Ca 0.03 -1.92 -0.00 0.00 0.00 0.00 0.00 46.02 44.13 1pe0 n GLY 174 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pe0 h LYS 175 N 0.00 0.75 0.00 1.61 1.57 -1.90 -2.47 116.57 116.14 1pe0 h LYS 175 Ca 0.00 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1pe0 h LYS 175 Cb 0.00 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.17 1pe0 h LYS 175 CO 0.00 0.62 -0.00 1.49 -0.57 0.00 0.00 179.45 180.98 1pe0 h GLU 176 N 0.74 -0.00 -0.84 3.15 4.57 -1.96 0.40 114.58 120.63 1pe0 h GLU 176 Ca 0.18 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.35 1pe0 h GLU 176 Cb 0.15 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.70 1pe0 h GLU 176 CO -0.02 0.15 0.48 0.28 -1.18 0.00 0.00 179.01 178.73 1pe0 h VAL 177 N -0.16 1.24 -0.54 0.32 2.07 -1.76 -0.31 116.25 117.10 1pe0 h VAL 177 Ca -0.00 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 1pe0 h VAL 177 Cb 0.16 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 1pe0 h VAL 177 CO 0.00 0.26 0.33 0.00 0.02 0.00 0.00 177.57 178.18 1pe0 h ALA 178 N 1.26 0.69 -0.69 1.67 0.00 -1.23 -0.73 119.26 120.23 1pe0 h ALA 178 Ca 0.30 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1pe0 h ALA 178 Cb -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1pe0 h ALA 178 CO -0.05 0.17 0.25 0.00 0.00 0.00 0.00 179.25 179.62 1pe0 h ALA 179 N 1.17 0.90 -0.36 0.00 0.00 -0.37 -0.04 119.26 120.56 1pe0 h ALA 179 Ca 0.20 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1pe0 h ALA 179 Cb -0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1pe0 h ALA 179 CO -0.04 0.55 -0.12 1.96 0.00 0.00 0.00 179.25 181.61 1pe0 h GLN 180 N 1.00 0.64 -0.17 0.00 4.20 -0.69 -1.87 115.11 118.22 1pe0 h GLN 180 Ca 0.23 -0.20 -0.19 0.00 0.06 0.00 0.00 58.65 58.55 1pe0 h GLN 180 Cb 0.25 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1pe0 h GLN 180 CO -0.01 0.74 -0.67 0.28 -0.67 0.00 0.00 178.83 178.50 1pe0 h VAL 181 N 0.58 1.31 -0.32 -0.54 2.07 -0.80 -3.30 116.25 115.25 1pe0 h VAL 181 Ca 0.10 -1.93 -0.07 0.00 0.82 0.00 0.00 66.70 65.62 1pe0 h VAL 181 Cb 0.54 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1pe0 h VAL 181 CO 0.03 0.60 -0.09 0.50 0.02 0.00 0.00 177.57 178.64 1pe0 h LYS 182 N 0.47 0.63 -0.94 1.57 3.64 -0.74 -3.35 116.57 117.84 1pe0 h LYS 182 Ca -0.02 -0.25 0.15 0.00 -1.27 0.00 0.00 60.65 59.27 1pe0 h LYS 182 Cb 1.26 -0.03 -0.16 0.00 -0.41 0.00 0.00 32.23 32.89 1pe0 h LYS 182 CO 0.13 0.82 -0.36 0.00 -2.27 0.00 0.00 179.45 177.77 1pe0 h ALA 183 N 0.80 0.21 0.00 5.00 0.00 -1.42 -0.36 119.26 123.48 1pe0 h ALA 183 Ca 0.08 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1pe0 h ALA 183 Cb 0.59 0.94 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1pe0 h ALA 183 CO 0.03 -0.59 0.00 -2.30 0.00 0.00 0.00 179.25 176.39 1pe0 n PRO 184 N -5.49 0.10 0.21 0.00 -0.02 -1.26 -3.60 135.00 124.94 1pe0 n PRO 184 Ca 0.10 0.18 0.10 0.00 -2.02 0.00 0.00 63.50 61.86 1pe0 n PRO 184 Cb 0.41 -1.50 0.30 0.00 -0.02 0.00 0.00 33.50 32.69 1pe0 n PRO 184 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1pe0 h LEU 185 N 0.00 0.00 -1.41 2.45 3.38 -1.23 -3.47 115.31 115.02 1pe0 h LEU 185 Ca 0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 1pe0 h LEU 185 Cb 0.23 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.09 1pe0 h LEU 185 CO 0.00 0.20 -0.51 0.52 0.09 0.00 0.00 178.44 178.74 1pe0 n VAL 186 N -3.23 -3.36 -1.84 1.22 0.31 -1.24 -5.03 118.33 105.16 1pe0 n VAL 186 Ca 0.02 -0.21 -0.12 0.00 -0.01 0.00 0.00 64.34 64.02 1pe0 n VAL 186 Cb 0.52 -3.85 0.07 0.00 -0.91 0.00 0.00 33.84 29.67 1pe0 n VAL 186 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1pe0 n LEU 187 N -3.39 0.00 0.00 7.52 4.77 -1.26 -5.20 117.00 119.44 1pe0 n LEU 187 Ca -0.12 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 1pe0 n LEU 187 Cb 0.59 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1pe0 n LEU 187 CO 0.44 -0.83 0.03 0.29 -1.33 0.00 0.00 177.39 175.98