#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ha4 n ARG 71 N 0.00 -0.66 -2.34 0.54 3.00 -1.26 -4.97 116.66 110.97 3ha4 n ARG 71 Ca 0.00 0.82 -0.42 0.00 -0.00 0.00 0.00 57.85 58.25 3ha4 n ARG 71 Cb 0.00 -4.73 -0.03 0.00 0.00 0.00 0.00 32.46 27.71 3ha4 n ARG 71 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 3ha4 s ARG 72 N -2.87 4.33 0.44 -0.14 1.70 -1.26 -4.97 118.95 116.17 3ha4 s ARG 72 Ca 0.00 1.83 -0.23 0.00 -0.47 0.00 0.00 55.73 56.86 3ha4 s ARG 72 Cb 0.00 -3.54 -0.08 0.00 -0.57 0.00 0.00 34.95 30.76 3ha4 s ARG 72 CO 0.00 -0.49 1.08 -2.14 -1.08 0.00 0.00 175.30 172.67 3ha4 s PRO 73 N 2.18 3.97 0.27 3.89 0.02 -1.26 -4.97 135.00 139.10 3ha4 s PRO 73 Ca 0.60 1.55 -0.30 0.00 0.02 0.00 0.00 61.00 62.87 3ha4 s PRO 73 Cb -0.28 -2.40 -0.09 0.00 0.02 0.00 0.00 34.50 31.74 3ha4 s PRO 73 CO 0.25 -0.32 1.07 -2.14 -0.33 0.00 0.00 177.00 175.53 3ha4 s PRO 74 N -2.71 4.68 0.26 5.54 0.02 -1.26 -4.88 135.00 136.64 3ha4 s PRO 74 Ca 0.61 1.75 -0.01 0.00 0.02 0.00 0.00 61.00 63.37 3ha4 s PRO 74 Cb -0.22 -3.20 0.54 0.00 0.02 0.00 0.00 34.50 31.64 3ha4 s PRO 74 CO 0.28 0.26 1.72 2.35 -0.33 0.00 0.00 177.00 181.28 3ha4 h TRP 75 N 3.86 0.59 -0.74 6.54 7.01 -1.99 -1.48 115.95 129.74 3ha4 h TRP 75 Ca -0.46 0.04 0.01 0.00 2.11 0.00 0.00 58.89 60.59 3ha4 h TRP 75 Cb 1.21 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 28.10 3ha4 h TRP 75 CO 0.59 0.05 0.48 -1.35 -2.79 0.00 0.00 178.44 175.42 3ha4 h PRO 76 N 0.46 0.94 -0.39 2.65 0.11 -1.99 -0.73 132.00 133.05 3ha4 h PRO 76 Ca 0.46 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 66.41 3ha4 h PRO 76 Cb 0.75 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 3ha4 h PRO 76 CO -0.44 0.62 -0.20 -0.07 -0.21 0.00 0.00 178.00 177.71 3ha4 h LEU 77 N 0.97 0.77 -0.39 2.35 -0.00 -1.69 -1.76 115.31 115.56 3ha4 h LEU 77 Ca 0.28 -0.27 -0.02 0.00 -0.00 0.00 0.00 57.88 57.87 3ha4 h LEU 77 Cb -0.08 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 40.36 3ha4 h LEU 77 CO -0.07 0.96 0.16 0.25 -0.00 0.00 0.00 178.44 179.74 3ha4 h LEU 78 N 0.67 0.53 -1.36 1.67 5.85 -0.89 -2.12 115.31 119.66 3ha4 h LEU 78 Ca 0.10 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 3ha4 h LEU 78 Cb 0.70 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3ha4 h LEU 78 CO 0.05 0.54 -0.14 -0.74 -0.34 0.00 0.00 178.44 177.81 3ha4 h HIS 79 N 0.49 0.27 -0.06 1.25 2.76 -0.98 -1.26 115.15 117.62 3ha4 h HIS 79 Ca 0.13 -0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.13 3ha4 h HIS 79 Cb 0.17 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 3ha4 h HIS 79 CO -0.00 0.40 -0.57 0.37 -1.30 0.00 0.00 177.93 176.82 3ha4 h GLN 80 N 0.24 0.20 0.04 5.26 4.15 -0.93 -1.36 115.11 122.71 3ha4 h GLN 80 Ca 0.05 -0.13 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 3ha4 h GLN 80 Cb 0.40 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.11 3ha4 h GLN 80 CO 0.02 0.71 -0.02 0.00 -1.93 0.00 0.00 178.83 177.62 3ha4 h ARG 81 N 0.15 -0.06 -0.92 1.69 3.08 -0.90 -2.89 114.38 114.53 3ha4 h ARG 81 Ca -0.00 0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.23 3ha4 h ARG 81 Cb 1.05 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 31.04 3ha4 h ARG 81 CO 0.09 0.55 0.59 0.28 -1.07 0.00 0.00 179.97 180.40 3ha4 h VAL 82 N -0.73 0.75 -0.19 2.04 2.07 -1.26 0.23 116.25 119.16 3ha4 h VAL 82 Ca -0.01 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 3ha4 h VAL 82 Cb 0.63 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3ha4 h VAL 82 CO 0.01 0.11 -0.09 0.58 0.02 0.00 0.00 177.57 178.20 3ha4 h VAL 83 N 0.60 1.17 -0.62 2.57 2.07 -1.27 -2.81 116.25 117.97 3ha4 h VAL 83 Ca 0.48 -0.75 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 3ha4 h VAL 83 Cb 0.93 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 3ha4 h VAL 83 CO -0.23 0.24 0.21 -0.07 0.02 0.00 0.00 177.57 177.74 3ha4 h LEU 84 N 0.28 0.85 -0.89 2.57 4.07 -0.32 -3.28 115.31 118.60 3ha4 h LEU 84 Ca 0.06 -0.13 0.02 0.00 0.08 0.00 0.00 57.88 57.91 3ha4 h LEU 84 Cb 0.35 -0.22 -0.05 0.00 1.08 0.00 0.00 40.66 41.82 3ha4 h LEU 84 CO 0.02 0.79 0.58 -0.07 -1.08 0.00 0.00 178.44 178.68 3ha4 h LEU 85 N 0.90 0.99 -1.12 1.67 3.38 -1.40 -1.96 115.31 117.77 3ha4 h LEU 85 Ca 0.21 -0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.32 3ha4 h LEU 85 Cb 0.23 -0.24 -0.09 0.00 0.09 0.00 0.00 40.66 40.65 3ha4 h LEU 85 CO -0.01 0.70 0.61 0.03 0.09 0.00 0.00 178.44 179.86 3ha4 h ARG 86 N 1.16 0.75 0.00 1.13 2.47 -1.73 0.37 114.38 118.53 3ha4 h ARG 86 Ca 0.34 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 59.01 3ha4 h ARG 86 Cb -0.08 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.08 3ha4 h ARG 86 CO -0.09 0.49 0.00 0.39 0.56 0.00 0.00 179.97 181.32 3ha4 n GLU 87 N -4.66 0.04 -0.60 0.04 -0.58 -0.74 -4.84 120.64 109.30 3ha4 n GLU 87 Ca 0.21 0.17 0.00 0.00 -0.42 0.00 0.00 57.16 57.11 3ha4 n GLU 87 Cb 0.51 -1.56 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 3ha4 n GLU 87 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ha4 n GLY 88 N 0.70 0.77 3.92 0.62 0.00 0.13 -5.05 105.19 106.28 3ha4 n GLY 88 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 3ha4 n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ha4 s LYS 89 N -0.40 2.20 1.78 1.61 3.01 -1.18 -5.01 119.74 121.76 3ha4 s LYS 89 Ca 0.00 -0.09 0.00 0.00 -1.01 0.00 0.00 55.97 54.87 3ha4 s LYS 89 Cb 0.00 -2.10 0.00 0.00 -1.01 0.00 0.00 37.83 34.72 3ha4 s LYS 89 CO 0.00 -1.30 0.00 0.41 0.51 0.00 0.00 175.35 174.97 3ha4 n GLY 90 N -3.03 -0.11 2.65 -3.33 0.00 -1.26 -3.60 105.19 96.51 3ha4 n GLY 90 Ca 0.08 -1.40 -0.31 0.00 0.00 0.00 0.00 46.02 44.39 3ha4 n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ha4 n ALA 91 N 3.14 4.16 0.17 4.61 0.00 -1.26 -4.88 120.51 126.45 3ha4 n ALA 91 Ca 0.00 -4.74 0.09 0.00 0.00 0.00 0.00 53.44 48.79 3ha4 n ALA 91 Cb 0.00 -1.25 0.44 0.00 0.00 0.00 0.00 19.45 18.64 3ha4 n ALA 91 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3ha4 n PRO 92 N 1.20 0.11 0.05 0.00 -0.02 -1.26 0.92 135.00 136.00 3ha4 n PRO 92 Ca 0.27 0.56 0.12 0.00 -2.02 0.00 0.00 63.50 62.44 3ha4 n PRO 92 Cb 0.38 -1.83 0.49 0.00 -0.02 0.00 0.00 33.50 32.53 3ha4 n PRO 92 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3ha4 n GLU 93 N -2.06 0.12 0.00 -0.52 4.71 -1.26 -3.06 120.64 118.57 3ha4 n GLU 93 Ca -0.00 0.16 0.10 0.00 -0.01 0.00 0.00 57.16 57.40 3ha4 n GLU 93 Cb 0.06 -1.65 0.06 0.00 -1.01 0.00 0.00 31.44 28.89 3ha4 n GLU 93 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3ha4 n ASP 94 N -1.86 2.38 -0.32 1.62 9.92 0.26 -4.60 116.55 123.95 3ha4 n ASP 94 Ca 0.05 -1.69 0.03 0.00 -0.53 0.00 0.00 54.79 52.66 3ha4 n ASP 94 Cb 0.34 0.15 0.10 0.00 -0.64 0.00 0.00 41.12 41.07 3ha4 n ASP 94 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 3ha4 h ILE 95 N 3.30 0.10 -0.28 0.53 2.04 -1.51 0.68 117.51 122.38 3ha4 h ILE 95 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 3ha4 h ILE 95 Cb 0.76 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 3ha4 h ILE 95 CO 0.00 0.00 0.17 0.00 0.00 0.00 0.00 178.15 178.32 3ha4 h ALA 96 N 1.78 0.36 0.19 1.87 0.00 -1.85 -2.35 119.26 119.26 3ha4 h ALA 96 Ca 0.41 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.29 3ha4 h ALA 96 Cb 0.64 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 3ha4 h ALA 96 CO -0.92 -0.15 -0.42 1.25 0.00 0.00 0.00 179.25 179.02 3ha4 h LEU 97 N 0.36 -1.22 -0.63 0.00 6.46 -0.14 -0.83 115.31 119.31 3ha4 h LEU 97 Ca 0.10 0.13 0.03 0.00 -0.12 0.00 0.00 57.88 58.02 3ha4 h LEU 97 Cb 0.01 0.45 -0.04 0.00 -0.73 0.00 0.00 40.66 40.34 3ha4 h LEU 97 CO -0.02 -0.51 0.38 0.24 -0.62 0.00 0.00 178.44 177.91 3ha4 h MET 98 N -0.70 0.71 -0.22 1.25 2.86 -0.35 -1.03 114.93 117.46 3ha4 h MET 98 Ca 0.01 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.51 3ha4 h MET 98 Cb 0.70 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 3ha4 h MET 98 CO -0.20 0.47 -0.26 2.35 1.06 0.00 0.00 176.91 180.33 3ha4 h TRP 99 N 0.73 0.46 -0.40 -0.22 -0.00 -1.23 -1.76 115.95 113.53 3ha4 h TRP 99 Ca 0.26 -0.09 -0.09 0.00 -0.00 0.00 0.00 58.89 58.97 3ha4 h TRP 99 Cb 0.06 -0.11 -0.02 0.00 -0.00 0.00 0.00 29.16 29.09 3ha4 h TRP 99 CO -0.06 0.64 -0.11 0.93 -0.00 0.00 0.00 178.44 179.84 3ha4 h GLU 100 N 0.36 0.71 -0.43 2.65 4.39 -0.37 -1.76 114.58 120.13 3ha4 h GLU 100 Ca 0.05 -0.23 -0.02 0.00 0.34 0.00 0.00 59.36 59.51 3ha4 h GLU 100 Cb 0.65 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 3ha4 h GLU 100 CO 0.05 0.80 0.20 1.96 -1.16 0.00 0.00 179.01 180.85 3ha4 h GLN 101 N 0.65 0.62 -0.04 2.33 4.20 -0.52 -1.66 115.11 120.69 3ha4 h GLN 101 Ca 0.11 -0.10 -0.16 0.00 0.06 0.00 0.00 58.65 58.56 3ha4 h GLN 101 Cb 0.56 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 3ha4 h GLN 101 CO 0.03 0.55 -0.71 0.00 -0.67 0.00 0.00 178.83 178.04 3ha4 h THR 102 N 0.55 1.43 0.10 -0.54 1.03 -1.12 0.54 112.91 114.91 3ha4 h THR 102 Ca 0.15 -2.24 -0.01 0.00 -0.01 0.00 0.00 66.41 64.30 3ha4 h THR 102 Cb 0.14 2.19 0.00 0.00 -1.07 0.00 0.00 68.15 69.41 3ha4 h THR 102 CO -0.02 0.65 -0.05 0.11 -0.01 0.00 0.00 175.52 176.21 3ha4 h LYS 103 N 0.14 -0.13 0.13 0.00 1.57 -1.28 0.36 116.57 117.36 3ha4 h LYS 103 Ca -0.02 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3ha4 h LYS 103 Cb 1.25 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.60 3ha4 h LYS 103 CO 0.11 -0.05 -0.06 1.25 -0.57 0.00 0.00 179.45 180.13 3ha4 h HIS 104 N -0.19 -0.17 0.03 -1.35 2.76 -1.11 -3.16 115.15 111.96 3ha4 h HIS 104 Ca -0.01 -0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 57.87 3ha4 h HIS 104 Cb 0.15 0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.13 3ha4 h HIS 104 CO -0.06 0.25 -1.52 1.88 -1.30 0.00 0.00 177.93 177.18 3ha4 h TYR 105 N -0.65 0.10 -2.09 5.26 0.05 -0.01 -3.41 116.97 116.22 3ha4 h TYR 105 Ca -0.02 -0.07 -0.52 0.00 0.05 0.00 0.00 58.73 58.16 3ha4 h TYR 105 Cb 0.49 -0.00 -0.41 0.00 1.01 0.00 0.00 36.73 37.82 3ha4 h TYR 105 CO 0.07 1.11 -1.01 0.66 -1.05 0.00 0.00 178.16 177.94 3ha4 n TYR 106 N -3.21 1.40 0.81 4.88 4.01 0.12 -4.91 117.16 120.27 3ha4 n TYR 106 Ca -0.13 -3.87 0.10 0.00 -0.16 0.00 0.00 57.90 53.84 3ha4 n TYR 106 Cb 1.02 -0.44 0.46 0.00 -0.31 0.00 0.00 39.34 40.07 3ha4 n TYR 106 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3ha4 n PRO 107 N 0.23 0.14 0.00 -0.72 -0.02 -0.90 -2.59 135.00 131.13 3ha4 n PRO 107 Ca 0.27 0.13 0.08 0.00 -2.02 0.00 0.00 63.50 61.96 3ha4 n PRO 107 Cb 0.56 -1.50 0.03 0.00 -0.02 0.00 0.00 33.50 32.58 3ha4 n PRO 107 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ha4 n ALA 108 N -1.40 2.83 -1.83 3.55 0.00 -1.26 -4.86 120.51 117.55 3ha4 n ALA 108 Ca 0.07 -0.58 -0.41 0.00 0.00 0.00 0.00 53.44 52.52 3ha4 n ALA 108 Cb 0.20 -0.57 -0.03 0.00 0.00 0.00 0.00 19.45 19.05 3ha4 n ALA 108 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ha4 s ASP 109 N -1.66 6.96 -0.19 0.00 2.15 -1.07 -4.10 116.67 118.76 3ha4 s ASP 109 Ca 0.16 2.49 0.11 0.00 0.43 0.00 0.00 52.55 55.74 3ha4 s ASP 109 Cb 0.13 -2.63 -0.19 0.00 -0.30 0.00 0.00 42.92 39.93 3ha4 s ASP 109 CO 0.31 -0.41 -0.03 -2.67 -0.17 0.00 0.00 175.17 172.19 3ha4 n TRP 110 N 1.39 0.00 0.19 -5.34 4.27 -1.26 -4.57 117.44 112.12 3ha4 n TRP 110 Ca 0.01 0.00 -0.16 0.00 -3.89 0.00 0.00 57.50 53.47 3ha4 n TRP 110 Cb 0.43 -0.87 -0.08 0.00 -1.36 0.00 0.00 31.31 29.43 3ha4 n TRP 110 CO 0.00 0.00 0.00 1.25 -2.29 0.00 0.00 177.69 176.65 3ha4 h LEU 111 N 0.00 -1.21 -0.47 5.67 5.85 -1.92 0.22 115.31 123.46 3ha4 h LEU 111 Ca -0.49 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.32 3ha4 h LEU 111 Cb 1.98 0.43 -0.02 0.00 0.37 0.00 0.00 40.66 43.41 3ha4 h LEU 111 CO -0.01 -0.53 0.18 0.40 -0.34 0.00 0.00 178.44 178.14 3ha4 h ILE 112 N -0.76 1.21 -0.47 4.05 2.04 -1.99 -0.68 117.51 120.92 3ha4 h ILE 112 Ca -0.01 -0.65 0.05 0.00 1.00 0.00 0.00 64.86 65.26 3ha4 h ILE 112 Cb 0.72 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 3ha4 h ILE 112 CO -0.15 0.24 0.19 -0.65 0.00 0.00 0.00 178.15 177.78 3ha4 h PRO 113 N 0.61 0.37 -0.82 2.37 0.11 -1.77 0.41 132.00 133.28 3ha4 h PRO 113 Ca 0.16 -0.02 0.20 0.00 0.11 0.00 0.00 66.00 66.44 3ha4 h PRO 113 Cb 0.20 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.18 3ha4 h PRO 113 CO -0.01 0.24 0.56 1.25 -0.21 0.00 0.00 178.00 179.83 3ha4 h LEU 114 N 0.38 0.26 0.09 2.35 5.85 -0.01 -0.19 115.31 124.04 3ha4 h LEU 114 Ca 0.22 0.02 -0.26 0.00 0.84 0.00 0.00 57.88 58.70 3ha4 h LEU 114 Cb 0.19 -0.03 0.03 0.00 0.37 0.00 0.00 40.66 41.22 3ha4 h LEU 114 CO -0.20 0.11 -1.08 -0.08 -0.34 0.00 0.00 178.44 176.86 3ha4 h GLU 115 N 0.27 0.57 -0.31 1.25 4.57 0.12 -3.27 114.58 117.78 3ha4 h GLU 115 Ca 0.41 -0.73 -0.10 0.00 -1.18 0.00 0.00 59.36 57.76 3ha4 h GLU 115 Cb 1.20 0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 30.02 3ha4 h GLU 115 CO -0.11 1.32 -0.22 1.25 -1.18 0.00 0.00 179.01 180.07 3ha4 h LEU 116 N 0.15 0.58 -0.93 1.64 5.85 -0.09 -0.60 115.31 121.92 3ha4 h LEU 116 Ca -0.16 -0.20 0.17 0.00 0.84 0.00 0.00 57.88 58.53 3ha4 h LEU 116 Cb 1.77 -0.16 -0.10 0.00 0.37 0.00 0.00 40.66 42.54 3ha4 h LEU 116 CO 0.21 0.80 0.52 0.74 -0.34 0.00 0.00 178.44 180.37 3ha4 h THR 117 N 0.52 0.72 -0.46 1.05 2.02 -1.14 -0.91 112.91 114.70 3ha4 h THR 117 Ca 0.08 -0.24 -0.11 0.00 0.77 0.00 0.00 66.41 66.91 3ha4 h THR 117 Cb 0.67 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 3ha4 h THR 117 CO 0.05 0.13 -0.13 1.56 0.37 0.00 0.00 175.52 177.49 3ha4 h GLN 118 N 0.70 0.86 -0.83 6.66 1.08 -1.17 0.25 115.11 122.66 3ha4 h GLN 118 Ca 0.52 -0.31 0.05 0.00 -1.45 0.00 0.00 58.65 57.46 3ha4 h GLN 118 Cb 0.76 -0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 28.07 3ha4 h GLN 118 CO -0.37 0.94 0.52 0.28 -0.95 0.00 0.00 178.83 179.25 3ha4 h VAL 119 N 0.77 1.07 -0.27 -0.54 2.07 -0.74 -2.44 116.25 116.16 3ha4 h VAL 119 Ca 0.12 -0.33 -0.18 0.00 0.82 0.00 0.00 66.70 67.13 3ha4 h VAL 119 Cb 0.65 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3ha4 h VAL 119 CO 0.05 0.18 -0.55 -0.07 0.02 0.00 0.00 177.57 177.20 3ha4 h LEU 120 N 0.97 0.95 -0.73 2.57 3.38 -0.96 -3.02 115.31 118.48 3ha4 h LEU 120 Ca 0.35 -0.54 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 3ha4 h LEU 120 Cb 0.12 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3ha4 h LEU 120 CO -0.15 1.32 -0.07 0.50 0.09 0.00 0.00 178.44 180.12 3ha4 h LYS 121 N 0.63 0.90 -0.01 1.13 3.64 -0.79 -3.38 116.57 118.69 3ha4 h LYS 121 Ca 0.01 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 3ha4 h LYS 121 Cb 1.16 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 3ha4 h LYS 121 CO 0.12 0.94 -0.00 0.66 -2.27 0.00 0.00 179.45 178.90 3ha4 n TYR 122 N -4.17 0.00 -0.22 1.91 4.01 -0.93 -4.89 117.16 112.87 3ha4 n TYR 122 Ca 0.02 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.69 3ha4 n TYR 122 Cb 0.36 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.42 3ha4 n TYR 122 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 3ha4 h SER 123 N 0.83 0.88 -5.00 7.72 0.02 -1.71 -3.49 113.55 112.80 3ha4 h SER 123 Ca 0.00 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 3ha4 h SER 123 Cb 0.18 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.49 3ha4 h SER 123 CO 0.00 0.83 0.00 -1.54 -1.14 0.00 0.00 176.83 174.98 3ha4 n SER 124 N -4.41 0.00 -0.23 3.07 3.41 -1.26 -4.75 113.62 109.44 3ha4 n SER 124 Ca 0.04 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.58 3ha4 n SER 124 Cb 0.18 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.17 3ha4 n SER 124 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3ha4 h GLY 125 N 0.00 1.06 0.97 5.00 0.00 -1.99 -2.70 103.07 105.42 3ha4 h GLY 125 Ca 0.00 -0.62 -0.08 0.00 0.00 0.00 0.00 47.33 46.63 3ha4 h GLY 125 CO 0.00 0.58 -0.03 0.07 0.00 0.00 0.00 176.54 177.16 3ha4 h LYS 126 N 0.92 0.76 -0.36 4.80 2.10 -1.96 0.16 116.57 122.99 3ha4 h LYS 126 Ca 0.21 -0.26 -0.02 0.00 -2.00 0.00 0.00 60.65 58.58 3ha4 h LYS 126 Cb 0.28 -0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 31.53 3ha4 h LYS 126 CO -0.01 0.86 0.16 -0.92 -2.00 0.00 0.00 179.45 177.53 3ha4 h TYR 127 N 0.59 0.53 -0.31 0.07 3.20 -1.83 6.48 116.97 125.70 3ha4 h TYR 127 Ca 0.11 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 3ha4 h TYR 127 Cb 0.53 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 3ha4 h TYR 127 CO 0.04 0.47 -0.03 1.25 -1.64 0.00 0.00 178.16 178.25 3ha4 h LEU 128 N 0.43 0.56 -0.61 2.82 7.12 -1.47 1.72 115.31 125.88 3ha4 h LEU 128 Ca 0.12 -0.33 -0.03 0.00 0.13 0.00 0.00 57.88 57.77 3ha4 h LEU 128 Cb 0.15 -0.15 -0.03 0.00 -0.53 0.00 0.00 40.66 40.11 3ha4 h LEU 128 CO -0.01 0.76 0.27 -0.61 -0.13 0.00 0.00 178.44 178.71 3ha4 h GLN 129 N 0.34 0.90 -0.18 1.25 5.75 0.16 -0.96 115.11 122.37 3ha4 h GLN 129 Ca 0.08 -0.15 -0.14 0.00 -0.15 0.00 0.00 58.65 58.29 3ha4 h GLN 129 Cb 0.49 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.89 3ha4 h GLN 129 CO 0.02 0.74 -0.44 1.15 -2.65 0.00 0.00 178.83 177.65 3ha4 h THR 130 N 0.84 1.33 0.00 2.39 2.02 1.42 -3.39 112.91 117.52 3ha4 h THR 130 Ca 0.21 -1.69 0.00 0.00 0.77 0.00 0.00 66.41 65.69 3ha4 h THR 130 Cb 0.16 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 3ha4 h THR 130 CO -0.02 0.52 -0.89 -1.22 0.37 0.00 0.00 175.52 174.28 3ha4 n TYR 131 N -4.22 0.00 -3.91 3.16 4.02 0.58 -4.89 117.16 111.90 3ha4 n TYR 131 Ca -0.06 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.47 3ha4 n TYR 131 Cb 0.56 -0.09 -0.14 0.00 -0.02 0.00 0.00 39.34 39.65 3ha4 n TYR 131 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3ha4 s VAL 132 N -2.35 3.16 0.16 -0.72 1.01 -0.38 -4.79 120.40 116.49 3ha4 s VAL 132 Ca 0.01 -0.94 -0.19 0.00 0.00 0.00 0.00 61.98 60.86 3ha4 s VAL 132 Cb 0.08 -2.61 0.06 0.00 0.00 0.00 0.00 36.38 33.91 3ha4 s VAL 132 CO 0.49 0.17 1.66 0.00 0.00 0.00 0.00 175.10 177.42 3ha4 h ALA 133 N 8.07 0.13 -3.09 5.51 0.00 -1.89 -3.39 119.26 124.60 3ha4 h ALA 133 Ca -0.32 0.12 -0.51 0.00 0.00 0.00 0.00 54.91 54.20 3ha4 h ALA 133 Cb 1.11 0.34 -0.40 0.00 0.00 0.00 0.00 17.79 18.84 3ha4 h ALA 133 CO 0.58 -0.52 -0.76 0.34 0.00 0.00 0.00 179.25 178.89 3ha4 s ASP 134 N -5.16 3.01 0.04 0.00 -1.08 -1.26 -5.02 116.67 107.21 3ha4 s ASP 134 Ca -0.14 -0.96 -0.00 0.00 -0.52 0.00 0.00 52.55 50.93 3ha4 s ASP 134 Cb 0.13 -0.47 -0.26 0.00 -1.46 0.00 0.00 42.92 40.86 3ha4 s ASP 134 CO 0.70 -0.36 1.01 -0.65 0.52 0.00 0.00 175.17 176.39 3ha4 h PRO 135 N 8.31 0.18 0.00 4.34 0.11 -1.93 -2.89 132.00 140.12 3ha4 h PRO 135 Ca -0.16 -0.32 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 3ha4 h PRO 135 Cb 1.09 0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3ha4 h PRO 135 CO 0.36 1.07 -0.62 0.22 -0.21 0.00 0.00 178.00 178.82 3ha4 h ASP 136 N 0.05 0.00 -0.09 -2.05 3.58 -1.95 -1.61 116.42 114.35 3ha4 h ASP 136 Ca -0.17 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.27 3ha4 h ASP 136 Cb 1.95 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 43.00 3ha4 h ASP 136 CO 0.16 0.62 -0.00 -0.08 -2.88 0.00 0.00 179.24 177.06 3ha4 h GLU 137 N 0.00 0.17 -0.37 0.28 4.81 -2.00 -1.78 114.58 115.68 3ha4 h GLU 137 Ca -0.01 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 3ha4 h GLU 137 Cb 1.45 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.80 3ha4 h GLU 137 CO 0.08 0.43 0.11 1.98 -0.73 0.00 0.00 179.01 180.88 3ha4 h MET 138 N -0.12 0.58 -0.52 1.92 4.05 -1.42 -1.09 114.93 118.33 3ha4 h MET 138 Ca 0.03 -0.13 0.10 0.00 -0.28 0.00 0.00 59.70 59.42 3ha4 h MET 138 Cb 0.36 -0.08 -0.09 0.00 -0.80 0.00 0.00 31.60 30.98 3ha4 h MET 138 CO 0.01 0.60 -0.07 -0.09 0.23 0.00 0.00 176.91 177.59 3ha4 h ARG 139 N 0.45 0.05 -0.73 0.39 2.43 -1.25 0.09 114.38 115.80 3ha4 h ARG 139 Ca 0.12 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 3ha4 h ARG 139 Cb 0.27 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 3ha4 h ARG 139 CO -0.00 0.03 0.24 0.87 -1.51 0.00 0.00 179.97 179.60 3ha4 h LYS 140 N 0.05 1.13 -0.49 0.20 1.57 -0.61 -0.80 116.57 117.61 3ha4 h LYS 140 Ca 0.26 -0.23 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 3ha4 h LYS 140 Cb 0.40 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3ha4 h LYS 140 CO -0.49 0.95 -0.02 0.93 -0.57 0.00 0.00 179.45 180.25 3ha4 h GLU 141 N 1.08 0.88 -0.19 3.15 5.08 -0.63 0.76 114.58 124.71 3ha4 h GLU 141 Ca 0.24 -0.29 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 3ha4 h GLU 141 Cb 0.29 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3ha4 h GLU 141 CO -0.01 0.93 -0.44 0.28 -1.00 0.00 0.00 179.01 178.77 3ha4 h VAL 142 N 0.74 1.31 -0.01 3.13 2.07 -0.79 -2.34 116.25 120.36 3ha4 h VAL 142 Ca 0.14 -1.62 -0.21 0.00 0.82 0.00 0.00 66.70 65.83 3ha4 h VAL 142 Cb 0.54 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 3ha4 h VAL 142 CO 0.03 0.50 -0.88 0.25 0.02 0.00 0.00 177.57 177.49 3ha4 h LEU 143 N 0.39 0.42 -0.03 2.57 5.85 -0.81 -2.25 115.31 121.44 3ha4 h LEU 143 Ca 0.03 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.42 3ha4 h LEU 143 Cb 0.93 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 3ha4 h LEU 143 CO 0.08 1.11 0.01 -0.03 -0.34 0.00 0.00 178.44 179.27 3ha4 h MET 144 N 0.19 0.04 -0.89 1.25 4.05 -0.73 -0.45 114.93 118.39 3ha4 h MET 144 Ca -0.06 -0.01 0.12 0.00 -0.28 0.00 0.00 59.70 59.48 3ha4 h MET 144 Cb 1.50 -0.01 -0.08 0.00 -0.80 0.00 0.00 31.60 32.21 3ha4 h MET 144 CO 0.15 0.19 0.52 0.37 0.23 0.00 0.00 176.91 178.36 3ha4 h GLN 145 N -0.11 0.78 -0.51 0.39 4.15 -1.33 0.26 115.11 118.75 3ha4 h GLN 145 Ca 0.01 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.30 3ha4 h GLN 145 Cb 0.16 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 3ha4 h GLN 145 CO -0.00 0.51 -0.00 -0.07 -1.93 0.00 0.00 178.83 177.34 3ha4 h LEU 146 N 0.80 0.82 -0.47 -2.39 3.38 -1.20 -0.29 115.31 115.97 3ha4 h LEU 146 Ca 0.45 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 3ha4 h LEU 146 Cb 0.51 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3ha4 h LEU 146 CO -0.29 0.88 -0.03 -0.07 0.09 0.00 0.00 178.44 179.02 3ha4 h LEU 147 N 0.79 0.84 -0.60 1.67 3.38 0.31 0.18 115.31 121.88 3ha4 h LEU 147 Ca 0.15 -0.32 0.09 0.00 0.09 0.00 0.00 57.88 57.89 3ha4 h LEU 147 Cb 0.48 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 3ha4 h LEU 147 CO 0.02 0.96 0.22 0.78 0.09 0.00 0.00 178.44 180.51 3ha4 h ASN 148 N 0.70 0.21 -0.17 -0.43 2.35 -0.16 -0.11 115.58 117.98 3ha4 h ASN 148 Ca 0.13 0.08 -0.11 0.00 -0.55 0.00 0.00 56.30 55.84 3ha4 h ASN 148 Cb 0.55 0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.98 3ha4 h ASN 148 CO 0.03 0.13 -0.34 0.58 -1.65 0.00 0.00 177.43 176.18 3ha4 h VAL 149 N 0.40 1.35 -0.54 2.81 2.07 -0.90 0.10 116.25 121.53 3ha4 h VAL 149 Ca 0.30 -1.59 0.01 0.00 0.82 0.00 0.00 66.70 66.25 3ha4 h VAL 149 Cb 0.37 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 3ha4 h VAL 149 CO -0.30 0.48 0.35 0.50 0.02 0.00 0.00 177.57 178.62 3ha4 h LYS 150 N 0.16 0.68 -0.65 1.57 3.64 -0.28 -3.00 116.57 118.70 3ha4 h LYS 150 Ca 0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3ha4 h LYS 150 Cb 0.93 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 3ha4 h LYS 150 CO 0.08 0.45 0.00 0.66 -2.27 0.00 0.00 179.45 178.37 3ha4 n TYR 151 N -4.73 1.51 -1.06 1.91 4.01 -0.09 -4.92 117.16 113.79 3ha4 n TYR 151 Ca 0.04 -0.55 -0.02 0.00 -0.16 0.00 0.00 57.90 57.20 3ha4 n TYR 151 Cb 0.04 -0.34 -0.01 0.00 -0.31 0.00 0.00 39.34 38.72 3ha4 n TYR 151 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ha4 n GLY 152 N 0.74 0.55 0.24 2.72 0.00 -1.14 -4.91 105.19 103.39 3ha4 n GLY 152 Ca 0.22 -0.36 -0.03 0.00 0.00 0.00 0.00 46.02 45.86 3ha4 n GLY 152 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ha4 h ARG 153 N 0.44 0.49 -5.97 1.61 3.08 -1.05 -3.43 114.38 109.55 3ha4 h ARG 153 Ca -0.04 -0.17 -0.57 0.00 0.07 0.00 0.00 59.98 59.26 3ha4 h ARG 153 Cb 0.28 -0.04 -0.14 0.00 0.08 0.00 0.00 29.97 30.15 3ha4 h ARG 153 CO 0.06 0.68 -0.73 0.14 -1.07 0.00 0.00 179.97 179.05 3ha4 s VAL 154 N -4.57 2.22 0.35 2.04 -7.23 -1.10 -5.03 120.40 107.08 3ha4 s VAL 154 Ca -0.07 -2.31 0.05 0.00 -1.81 0.00 0.00 61.98 57.84 3ha4 s VAL 154 Cb 0.14 -2.34 -0.03 0.00 0.56 0.00 0.00 36.38 34.71 3ha4 s VAL 154 CO 0.79 -0.38 0.19 -0.94 -0.31 0.00 0.00 175.10 174.45 3ha4 s SER 155 N -3.49 2.06 -1.05 4.85 1.04 -1.26 -4.76 113.70 111.09 3ha4 s SER 155 Ca 0.29 -1.68 -0.04 0.00 0.48 0.00 0.00 55.95 55.00 3ha4 s SER 155 Cb -0.02 0.51 -0.05 0.00 0.10 0.00 0.00 66.02 66.56 3ha4 s SER 155 CO 0.14 -0.98 0.90 -0.90 0.98 0.00 0.00 173.24 173.38 3ha4 n ASP 156 N -1.32 -5.06 -4.70 7.02 5.68 -1.26 -4.74 116.55 112.17 3ha4 n ASP 156 Ca 0.01 -0.65 -0.42 0.00 -0.50 0.00 0.00 54.79 53.23 3ha4 n ASP 156 Cb 0.64 -4.98 -0.03 0.00 -1.14 0.00 0.00 41.12 35.61 3ha4 n ASP 156 CO 0.00 0.00 0.00 -2.84 -1.33 0.00 0.00 177.20 173.03 3ha4 s PRO 157 N -4.63 4.33 0.28 0.11 0.02 -1.26 -4.81 135.00 129.04 3ha4 s PRO 157 Ca 0.30 1.92 0.03 0.00 0.02 0.00 0.00 61.00 63.27 3ha4 s PRO 157 Cb -0.04 -3.46 0.65 0.00 0.02 0.00 0.00 34.50 31.68 3ha4 s PRO 157 CO 0.70 -0.47 1.75 -0.91 -0.33 0.00 0.00 177.00 177.74 3ha4 h ASN 158 N 7.38 0.57 0.00 2.53 2.35 -1.93 0.13 115.58 126.61 3ha4 h ASN 158 Ca -0.39 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 3ha4 h ASN 158 Cb 1.19 0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.58 3ha4 h ASN 158 CO 0.87 0.18 0.00 0.61 -1.65 0.00 0.00 177.43 177.45 3ha4 n GLY 159 N -1.33 -0.22 0.00 2.83 0.00 -1.26 -4.92 105.19 100.29 3ha4 n GLY 159 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3ha4 n GLY 159 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ha4 n GLY 160 N -0.38 -0.86 3.58 -0.02 0.00 0.47 -4.93 105.19 103.06 3ha4 n GLY 160 Ca 0.02 -1.68 -0.48 0.00 0.00 0.00 0.00 46.02 43.88 3ha4 n GLY 160 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3ha4 n ARG 161 N -0.93 1.24 -2.62 1.61 0.63 -1.26 -4.67 116.66 110.64 3ha4 n ARG 161 Ca 0.00 0.44 -0.42 0.00 -0.92 0.00 0.00 57.85 56.95 3ha4 n ARG 161 Cb 0.00 -1.92 -0.03 0.00 0.45 0.00 0.00 32.46 30.96 3ha4 n ARG 161 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3ha4 s VAL 162 N -0.34 4.01 0.00 5.15 1.01 -1.26 -4.90 120.40 124.07 3ha4 s VAL 162 Ca 0.70 0.64 0.00 0.00 0.00 0.00 0.00 61.98 63.32 3ha4 s VAL 162 Cb -0.81 -4.75 0.00 0.00 0.00 0.00 0.00 36.38 30.82 3ha4 s VAL 162 CO 0.53 -1.44 0.00 -0.46 0.00 0.00 0.00 175.10 173.73 3ha4 n ASN 163 N 8.51 0.00 0.04 3.32 6.94 -1.26 -4.83 115.26 127.97 3ha4 n ASN 163 Ca 0.06 -0.30 -0.08 0.00 -0.02 0.00 0.00 54.58 54.24 3ha4 n ASN 163 Cb 0.49 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.86 3ha4 n ASN 163 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 3ha4 h LYS 164 N 0.00 -0.33 -0.83 -3.83 1.63 -2.00 -2.00 116.57 109.21 3ha4 h LYS 164 Ca 0.00 0.02 0.08 0.00 -0.85 0.00 0.00 60.65 59.90 3ha4 h LYS 164 Cb 0.00 0.07 -0.07 0.00 -0.60 0.00 0.00 32.23 31.64 3ha4 h LYS 164 CO 0.00 -0.22 0.50 -0.44 -3.45 0.00 0.00 179.45 175.84 3ha4 h ASP 165 N -0.34 0.74 0.54 4.20 3.32 -1.99 -2.41 116.42 120.48 3ha4 h ASP 165 Ca 0.00 0.03 -0.11 0.00 0.02 0.00 0.00 57.03 56.97 3ha4 h ASP 165 Cb 0.36 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3ha4 h ASP 165 CO -0.16 0.45 -0.53 0.58 -1.72 0.00 0.00 179.24 177.85 3ha4 h VAL 166 N 0.87 1.38 -0.07 -1.35 2.07 -1.88 -0.84 116.25 116.43 3ha4 h VAL 166 Ca 0.38 -1.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.06 3ha4 h VAL 166 Cb 0.27 1.99 -0.00 0.00 -1.52 0.00 0.00 31.29 32.03 3ha4 h VAL 166 CO -0.21 0.52 0.02 -0.08 0.02 0.00 0.00 177.57 177.84 3ha4 h GLU 167 N 0.00 0.11 -0.35 1.57 4.81 -0.89 -1.38 114.58 118.45 3ha4 h GLU 167 Ca -0.01 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 3ha4 h GLU 167 Cb 0.95 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.27 3ha4 h GLU 167 CO 0.07 0.31 0.07 0.93 -0.73 0.00 0.00 179.01 179.66 3ha4 h GLU 168 N -0.10 0.18 -0.31 1.92 5.08 -0.98 0.63 114.58 121.00 3ha4 h GLU 168 Ca 0.02 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3ha4 h GLU 168 Cb 0.25 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3ha4 h GLU 168 CO 0.00 0.12 0.10 0.97 -1.00 0.00 0.00 179.01 179.21 3ha4 h ILE 169 N 0.19 1.13 -0.03 3.13 2.10 -1.08 0.37 117.51 123.32 3ha4 h ILE 169 Ca 0.17 -0.44 -0.02 0.00 1.08 0.00 0.00 64.86 65.65 3ha4 h ILE 169 Cb 0.19 0.79 -0.00 0.00 -1.09 0.00 0.00 36.82 36.71 3ha4 h ILE 169 CO -0.22 0.16 -0.04 0.40 -1.08 0.00 0.00 178.15 177.37 3ha4 h ILE 170 N 0.44 1.40 -0.98 2.19 2.04 -0.45 -1.89 117.51 120.26 3ha4 h ILE 170 Ca 0.11 -1.26 0.11 0.00 1.00 0.00 0.00 64.86 64.82 3ha4 h ILE 170 Cb 0.13 2.18 -0.08 0.00 -0.74 0.00 0.00 36.82 38.30 3ha4 h ILE 170 CO -0.01 0.34 0.62 0.28 0.00 0.00 0.00 178.15 179.38 3ha4 h SER 171 N -0.40 0.91 0.19 1.72 0.02 0.11 0.11 113.55 116.21 3ha4 h SER 171 Ca 0.00 0.04 -0.17 0.00 -0.84 0.00 0.00 61.79 60.82 3ha4 h SER 171 Cb 0.57 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 3ha4 h SER 171 CO 0.01 0.51 -0.65 -0.03 -1.14 0.00 0.00 176.83 175.52 3ha4 h MET 172 N 0.99 0.43 -0.34 3.45 1.85 -0.29 -2.01 114.93 119.01 3ha4 h MET 172 Ca 0.47 -0.32 -0.11 0.00 -0.61 0.00 0.00 59.70 59.14 3ha4 h MET 172 Cb 0.44 0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.51 3ha4 h MET 172 CO -0.23 0.94 -0.23 0.00 -0.40 0.00 0.00 176.91 176.98 3ha4 h ALA 173 N 0.98 0.95 0.52 0.39 0.00 -0.51 -1.49 119.26 120.10 3ha4 h ALA 173 Ca -0.02 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 3ha4 h ALA 173 Cb 1.21 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3ha4 h ALA 173 CO 0.11 0.61 -0.29 0.28 0.00 0.00 0.00 179.25 179.96 3ha4 h VAL 174 N 0.59 0.40 -0.25 0.00 2.07 -0.52 -0.14 116.25 118.39 3ha4 h VAL 174 Ca 0.08 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.66 3ha4 h VAL 174 Cb 0.71 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 3ha4 h VAL 174 CO 0.05 0.00 -0.14 0.44 0.02 0.00 0.00 177.57 177.94 3ha4 h ASP 175 N -0.76 -0.47 -0.87 0.57 3.45 -1.36 -0.40 116.42 116.58 3ha4 h ASP 175 Ca -0.06 0.11 0.23 0.00 0.43 0.00 0.00 57.03 57.73 3ha4 h ASP 175 Cb 0.61 0.25 -0.15 0.00 -0.56 0.00 0.00 39.33 39.48 3ha4 h ASP 175 CO 0.08 -0.18 0.11 0.44 -1.57 0.00 0.00 179.24 178.13 3ha4 h ASP 176 N -0.12 -0.23 0.70 6.45 5.19 -1.07 0.30 116.42 127.65 3ha4 h ASP 176 Ca 0.14 0.22 -0.19 0.00 -0.62 0.00 0.00 57.03 56.58 3ha4 h ASP 176 Cb 0.32 0.35 -0.02 0.00 0.18 0.00 0.00 39.33 40.17 3ha4 h ASP 176 CO -0.33 -0.22 -0.86 -0.07 -3.12 0.00 0.00 179.24 174.64 3ha4 h LEU 177 N 0.12 0.14 -0.05 1.55 3.38 0.33 -3.11 115.31 117.67 3ha4 h LEU 177 Ca 0.53 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.34 3ha4 h LEU 177 Cb 1.05 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3ha4 h LEU 177 CO -0.74 0.93 -0.13 -0.33 0.09 0.00 0.00 178.44 178.27 3ha4 h GLU 178 N 0.06 0.17 -0.92 1.13 5.08 -0.14 -3.18 114.58 116.79 3ha4 h GLU 178 Ca -0.03 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3ha4 h GLU 178 Cb 1.50 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.77 3ha4 h GLU 178 CO 0.12 0.73 0.00 0.09 -1.00 0.00 0.00 179.01 178.95 3ha4 n ASN 179 N -4.64 1.17 -4.38 1.42 4.13 0.97 -4.82 115.26 109.11 3ha4 n ASN 179 Ca -0.08 -1.33 -0.34 0.00 1.68 0.00 0.00 54.58 54.51 3ha4 n ASN 179 Cb 0.38 -0.33 -0.13 0.00 -1.54 0.00 0.00 39.78 38.15 3ha4 n ASN 179 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 3ha4 s MET 180 N -0.49 3.48 -0.51 3.52 1.75 -1.18 -4.99 119.30 120.89 3ha4 s MET 180 Ca 0.00 -0.59 -0.15 0.00 -1.25 0.00 0.00 55.69 53.69 3ha4 s MET 180 Cb 0.00 -2.96 0.11 0.00 2.84 0.00 0.00 34.83 34.82 3ha4 s MET 180 CO 0.00 -0.02 0.45 0.34 -0.65 0.00 0.00 175.02 175.15 3ha4 s ASP 181 N 1.02 6.14 0.00 1.11 3.68 -1.26 -5.04 116.67 122.32 3ha4 s ASP 181 Ca 0.01 -1.63 0.17 0.00 2.13 0.00 0.00 52.55 53.22 3ha4 s ASP 181 Cb -0.15 -2.19 0.13 0.00 -1.45 0.00 0.00 42.92 39.27 3ha4 s ASP 181 CO 0.00 -0.77 1.03 0.18 0.13 0.00 0.00 175.17 175.74