#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ha4 s ARG 72 N 0.00 4.10 0.47 5.56 1.70 -1.26 -5.05 118.95 124.47 3ha4 s ARG 72 Ca 0.00 0.01 -0.21 0.00 -0.47 0.00 0.00 55.73 55.06 3ha4 s ARG 72 Cb 0.00 -3.38 -0.08 0.00 -0.57 0.00 0.00 34.95 30.92 3ha4 s ARG 72 CO 0.00 0.36 1.06 -2.14 -1.08 0.00 0.00 175.30 173.51 3ha4 s PRO 73 N 0.11 3.84 0.18 3.89 0.02 -1.26 -4.97 135.00 136.81 3ha4 s PRO 73 Ca 0.15 1.46 -0.30 0.00 0.02 0.00 0.00 61.00 62.33 3ha4 s PRO 73 Cb -0.13 -2.22 -0.08 0.00 0.02 0.00 0.00 34.50 32.09 3ha4 s PRO 73 CO 0.03 -0.42 1.31 -2.14 -0.33 0.00 0.00 177.00 175.46 3ha4 s PRO 74 N -3.01 4.39 0.17 5.54 0.02 -1.26 -4.87 135.00 135.97 3ha4 s PRO 74 Ca 0.65 2.04 -0.17 0.00 0.02 0.00 0.00 61.00 63.54 3ha4 s PRO 74 Cb -0.20 -3.21 0.11 0.00 0.02 0.00 0.00 34.50 31.22 3ha4 s PRO 74 CO 0.24 -0.27 1.66 2.35 -0.33 0.00 0.00 177.00 180.65 3ha4 h TRP 75 N 5.58 -0.25 -0.73 6.54 7.01 -1.98 -0.26 115.95 131.86 3ha4 h TRP 75 Ca -0.44 0.04 0.02 0.00 2.11 0.00 0.00 58.89 60.61 3ha4 h TRP 75 Cb 1.21 0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 28.41 3ha4 h TRP 75 CO 0.63 -0.19 0.49 -1.35 -2.79 0.00 0.00 178.44 175.22 3ha4 h PRO 76 N -0.01 0.93 -0.04 2.65 0.11 -1.99 0.34 132.00 133.99 3ha4 h PRO 76 Ca 0.20 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 3ha4 h PRO 76 Cb 0.32 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.22 3ha4 h PRO 76 CO -0.44 0.62 0.00 -0.07 -0.21 0.00 0.00 178.00 177.90 3ha4 h LEU 77 N 0.96 0.07 -0.63 2.35 4.07 -1.75 -1.38 115.31 119.00 3ha4 h LEU 77 Ca 0.28 -0.30 0.12 0.00 0.08 0.00 0.00 57.88 58.06 3ha4 h LEU 77 Cb -0.06 -0.02 -0.09 0.00 1.08 0.00 0.00 40.66 41.57 3ha4 h LEU 77 CO -0.07 0.35 0.17 0.25 -1.08 0.00 0.00 178.44 178.07 3ha4 h LEU 78 N -0.21 0.08 -0.46 1.67 5.85 -0.30 -0.28 115.31 121.66 3ha4 h LEU 78 Ca 0.01 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3ha4 h LEU 78 Cb 0.31 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3ha4 h LEU 78 CO 0.00 0.04 0.26 -0.74 -0.34 0.00 0.00 178.44 177.66 3ha4 h HIS 79 N 0.31 0.62 -0.06 1.25 2.76 -0.30 -1.21 115.15 118.53 3ha4 h HIS 79 Ca 0.33 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.51 3ha4 h HIS 79 Cb 0.49 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 29.25 3ha4 h HIS 79 CO -0.22 0.46 0.06 0.37 -1.30 0.00 0.00 177.93 177.29 3ha4 h GLN 80 N 0.61 0.00 -0.07 5.26 4.15 -0.29 -2.04 115.11 122.72 3ha4 h GLN 80 Ca 0.16 0.00 -0.23 0.00 0.77 0.00 0.00 58.65 59.36 3ha4 h GLN 80 Cb 0.03 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.73 3ha4 h GLN 80 CO -0.03 0.00 -0.86 0.00 -1.93 0.00 0.00 178.83 176.01 3ha4 h ARG 81 N 0.00 0.62 -0.40 1.69 3.08 0.12 -1.20 114.38 118.28 3ha4 h ARG 81 Ca 0.03 -0.57 -0.14 0.00 0.07 0.00 0.00 59.98 59.38 3ha4 h ARG 81 Cb 0.14 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3ha4 h ARG 81 CO -0.00 1.18 -0.30 -0.24 -1.07 0.00 0.00 179.97 179.55 3ha4 h VAL 82 N 0.39 1.27 -0.61 2.04 3.04 -0.86 -2.53 116.25 118.99 3ha4 h VAL 82 Ca -0.07 -1.45 -0.00 0.00 -1.01 0.00 0.00 66.70 64.16 3ha4 h VAL 82 Cb 1.49 1.28 -0.03 0.00 -2.01 0.00 0.00 31.29 32.02 3ha4 h VAL 82 CO 0.16 0.49 0.37 0.58 -1.01 0.00 0.00 177.57 178.16 3ha4 h VAL 83 N 0.73 1.17 0.00 1.51 2.07 -1.35 -1.12 116.25 119.26 3ha4 h VAL 83 Ca 0.08 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 3ha4 h VAL 83 Cb 0.85 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3ha4 h VAL 83 CO 0.07 0.18 -0.38 -0.07 0.02 0.00 0.00 177.57 177.39 3ha4 h LEU 84 N 0.84 0.00 -0.43 2.57 3.38 -0.82 -1.51 115.31 119.35 3ha4 h LEU 84 Ca 0.22 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 3ha4 h LEU 84 Cb -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3ha4 h LEU 84 CO -0.04 0.38 0.09 -0.07 0.09 0.00 0.00 178.44 178.89 3ha4 h LEU 85 N 0.00 0.66 -0.41 1.67 4.07 -0.93 -1.59 115.31 118.78 3ha4 h LEU 85 Ca -0.00 -0.25 -0.02 0.00 0.08 0.00 0.00 57.88 57.69 3ha4 h LEU 85 Cb 0.70 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.25 3ha4 h LEU 85 CO 0.05 0.74 0.18 -0.09 -1.08 0.00 0.00 178.44 178.24 3ha4 h ARG 86 N 0.56 0.60 -0.31 1.13 1.12 -0.41 -1.02 114.38 116.05 3ha4 h ARG 86 Ca 0.13 -0.10 -0.11 0.00 -1.11 0.00 0.00 59.98 58.79 3ha4 h ARG 86 Cb 0.35 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.19 3ha4 h ARG 86 CO 0.00 0.54 -0.27 0.93 -3.11 0.00 0.00 179.97 178.07 3ha4 h GLU 87 N 0.52 0.64 0.00 0.20 4.39 -1.36 -3.47 114.58 115.50 3ha4 h GLU 87 Ca 0.14 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.57 3ha4 h GLU 87 Cb 0.15 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 3ha4 h GLU 87 CO -0.02 0.85 0.00 0.41 -1.16 0.00 0.00 179.01 179.09 3ha4 n GLY 88 N -0.23 0.81 3.79 -3.84 0.00 -0.39 -5.04 105.19 100.30 3ha4 n GLY 88 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.55 3.85 0.36 1.61 1.02 -0.72 -4.90 119.74 120.41 3ha4 s LYS 89 Ca 0.00 1.42 0.00 0.00 0.02 0.00 0.00 55.97 57.41 3ha4 s LYS 89 Cb 0.00 -2.20 0.00 0.00 -0.52 0.00 0.00 37.83 35.11 3ha4 s LYS 89 CO 0.00 -0.40 0.00 0.41 -0.92 0.00 0.00 175.35 174.44 3ha4 n GLY 90 N -0.07 -2.43 3.70 -3.33 0.00 -1.26 -3.83 105.19 97.96 3ha4 n GLY 90 Ca 0.08 -1.69 -0.40 0.00 0.00 0.00 0.00 46.02 44.02 3ha4 n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ha4 s ALA 91 N -1.19 3.43 0.33 4.61 0.00 -1.26 -4.96 121.76 122.73 3ha4 s ALA 91 Ca 0.00 -0.05 0.10 0.00 0.00 0.00 0.00 51.96 52.01 3ha4 s ALA 91 Cb 0.00 -2.93 0.57 0.00 0.00 0.00 0.00 23.12 20.76 3ha4 s ALA 91 CO 0.00 -0.26 1.75 -1.00 0.00 0.00 0.00 175.76 176.25 3ha4 h PRO 92 N 7.01 0.11 0.00 0.00 0.13 -1.94 -2.77 132.00 134.54 3ha4 h PRO 92 Ca -0.37 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 3ha4 h PRO 92 Cb 1.17 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3ha4 h PRO 92 CO 0.77 0.50 0.00 0.39 -0.23 0.00 0.00 178.00 179.43 3ha4 n GLU 93 N -4.04 0.16 0.00 0.86 4.71 -1.26 -1.71 120.64 119.37 3ha4 n GLU 93 Ca -0.02 0.49 0.09 0.00 -0.01 0.00 0.00 57.16 57.71 3ha4 n GLU 93 Cb 0.45 -1.87 0.41 0.00 -1.01 0.00 0.00 31.44 29.42 3ha4 n GLU 93 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 3ha4 n ASP 94 N -2.19 0.00 -0.33 1.62 4.64 -1.05 -2.82 116.55 116.42 3ha4 n ASP 94 Ca 0.01 0.40 -0.03 0.00 -1.38 0.00 0.00 54.79 53.79 3ha4 n ASP 94 Cb 0.16 -0.46 0.11 0.00 -1.04 0.00 0.00 41.12 39.88 3ha4 n ASP 94 CO 0.00 0.00 0.00 -0.29 -0.82 0.00 0.00 177.20 176.09 3ha4 h ILE 95 N 0.00 1.26 -0.07 5.18 2.10 -1.55 -1.14 117.51 123.29 3ha4 h ILE 95 Ca 0.00 -0.61 -0.04 0.00 1.08 0.00 0.00 64.86 65.29 3ha4 h ILE 95 Cb 0.29 0.02 -0.00 0.00 -1.09 0.00 0.00 36.82 36.04 3ha4 h ILE 95 CO 0.00 0.28 -0.12 0.00 -1.08 0.00 0.00 178.15 177.23 3ha4 h ALA 96 N 1.31 0.11 -0.50 0.18 0.00 -1.78 -2.92 119.26 115.66 3ha4 h ALA 96 Ca 0.32 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3ha4 h ALA 96 Cb -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3ha4 h ALA 96 CO -0.05 -0.02 -0.07 1.25 0.00 0.00 0.00 179.25 180.36 3ha4 h LEU 97 N -0.26 0.89 -0.47 0.00 5.85 -1.67 -1.79 115.31 117.85 3ha4 h LEU 97 Ca 0.01 -0.26 -0.06 0.00 0.84 0.00 0.00 57.88 58.40 3ha4 h LEU 97 Cb 0.68 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3ha4 h LEU 97 CO 0.03 0.99 0.06 -0.03 -0.34 0.00 0.00 178.44 179.15 3ha4 h MET 98 N 0.82 0.79 -0.17 1.25 4.05 -1.32 -1.79 114.93 118.57 3ha4 h MET 98 Ca 0.14 -0.22 -0.18 0.00 -0.28 0.00 0.00 59.70 59.16 3ha4 h MET 98 Cb 0.58 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.29 3ha4 h MET 98 CO 0.04 0.81 -0.62 2.35 0.23 0.00 0.00 176.91 179.72 3ha4 h TRP 99 N 0.66 0.74 -0.65 1.39 -0.00 -1.29 -2.60 115.95 114.21 3ha4 h TRP 99 Ca 0.14 -0.29 -0.08 0.00 -0.00 0.00 0.00 58.89 58.66 3ha4 h TRP 99 Cb 0.41 -0.13 -0.03 0.00 -0.00 0.00 0.00 29.16 29.41 3ha4 h TRP 99 CO 0.03 1.04 0.08 0.93 -0.00 0.00 0.00 178.44 180.52 3ha4 h GLU 100 N 0.43 1.09 -0.56 2.65 4.39 -1.28 -2.13 114.58 119.17 3ha4 h GLU 100 Ca -0.01 -0.31 -0.07 0.00 0.34 0.00 0.00 59.36 59.31 3ha4 h GLU 100 Cb 1.19 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.69 3ha4 h GLU 100 CO 0.12 1.02 0.06 1.96 -1.16 0.00 0.00 179.01 181.01 3ha4 h GLN 101 N 1.02 0.92 -0.55 2.33 4.20 -1.31 -3.00 115.11 118.72 3ha4 h GLN 101 Ca 0.19 -0.24 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 3ha4 h GLN 101 Cb 0.48 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 3ha4 h GLN 101 CO 0.02 0.87 0.19 1.15 -0.67 0.00 0.00 178.83 180.39 3ha4 h THR 102 N 0.86 1.23 -0.46 -0.54 2.02 -1.20 -0.59 112.91 114.23 3ha4 h THR 102 Ca 0.17 -0.74 -0.05 0.00 0.77 0.00 0.00 66.41 66.56 3ha4 h THR 102 Cb 0.42 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 3ha4 h THR 102 CO 0.01 0.28 0.10 0.11 0.37 0.00 0.00 175.52 176.40 3ha4 h LYS 103 N 0.75 0.73 -0.23 6.66 1.57 -1.39 0.84 116.57 125.51 3ha4 h LYS 103 Ca 0.18 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 3ha4 h LYS 103 Cb 0.24 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3ha4 h LYS 103 CO -0.01 0.73 -0.10 1.25 -0.57 0.00 0.00 179.45 180.75 3ha4 h HIS 104 N 0.61 0.55 0.00 -1.35 2.76 -1.50 -3.31 115.15 112.91 3ha4 h HIS 104 Ca 0.14 -0.13 -0.06 0.00 -2.20 0.00 0.00 60.37 58.12 3ha4 h HIS 104 Cb 0.33 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.15 3ha4 h HIS 104 CO 0.02 0.74 -1.96 0.66 -1.30 0.00 0.00 177.93 176.10 3ha4 n TYR 105 N -4.52 0.00 -2.89 5.26 4.01 -0.23 -4.63 117.16 114.15 3ha4 n TYR 105 Ca -0.04 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.51 3ha4 n TYR 105 Cb 0.33 -0.53 -0.01 0.00 -0.31 0.00 0.00 39.34 38.82 3ha4 n TYR 105 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3ha4 n TYR 106 N -2.27 1.63 0.32 -0.72 4.01 0.28 -4.86 117.16 115.55 3ha4 n TYR 106 Ca -0.09 -3.46 0.16 0.00 -0.16 0.00 0.00 57.90 54.35 3ha4 n TYR 106 Cb 0.62 -0.37 0.66 0.00 -0.31 0.00 0.00 39.34 39.93 3ha4 n TYR 106 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3ha4 h PRO 107 N 2.94 0.00 -0.36 -0.72 0.14 -1.63 -2.30 132.00 130.08 3ha4 h PRO 107 Ca 0.08 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.22 3ha4 h PRO 107 Cb 0.94 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.08 3ha4 h PRO 107 CO 0.61 0.00 0.00 0.00 0.14 0.00 0.00 178.00 178.75 3ha4 n ALA 108 N -1.97 2.31 -1.97 -0.56 0.00 -1.26 -4.83 120.51 112.21 3ha4 n ALA 108 Ca 0.01 -1.04 -0.38 0.00 0.00 0.00 0.00 53.44 52.03 3ha4 n ALA 108 Cb 0.25 -0.58 -0.06 0.00 0.00 0.00 0.00 19.45 19.06 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 -1.08 7.27 -0.08 0.00 2.15 -0.87 -4.78 116.67 119.29 3ha4 s ASP 109 Ca 0.28 1.61 0.11 0.00 0.43 0.00 0.00 52.55 54.99 3ha4 s ASP 109 Cb 0.16 -2.49 -0.16 0.00 -0.30 0.00 0.00 42.92 40.12 3ha4 s ASP 109 CO 0.21 0.09 0.13 -2.67 -0.17 0.00 0.00 175.17 172.75 3ha4 n TRP 110 N 1.06 0.00 0.10 -5.34 4.27 -1.26 -4.56 117.44 111.70 3ha4 n TRP 110 Ca -0.03 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.45 3ha4 n TRP 110 Cb 0.50 -0.46 -0.08 0.00 -1.36 0.00 0.00 31.31 29.90 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 -0.17 -0.44 5.67 5.85 -1.98 -0.44 115.31 123.79 3ha4 h LEU 111 Ca -0.20 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3ha4 h LEU 111 Cb 1.29 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 3ha4 h LEU 111 CO 0.01 0.01 0.29 0.40 -0.34 0.00 0.00 178.44 178.81 3ha4 h ILE 112 N -0.35 1.12 -0.75 4.05 2.04 -1.98 -1.23 117.51 120.41 3ha4 h ILE 112 Ca -0.02 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.62 3ha4 h ILE 112 Cb 0.28 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 3ha4 h ILE 112 CO 0.03 0.12 0.50 -0.65 0.00 0.00 0.00 178.15 178.15 3ha4 h PRO 113 N 0.60 0.98 -0.58 2.37 0.11 -1.77 0.82 132.00 134.53 3ha4 h PRO 113 Ca 0.16 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.19 3ha4 h PRO 113 Cb -0.06 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 30.81 3ha4 h PRO 113 CO -0.03 0.65 0.25 1.25 -0.21 0.00 0.00 178.00 179.90 3ha4 h LEU 114 N 1.00 0.74 -0.10 2.35 5.85 -0.60 -1.21 115.31 123.35 3ha4 h LEU 114 Ca 0.28 -0.08 -0.24 0.00 0.84 0.00 0.00 57.88 58.68 3ha4 h LEU 114 Cb -0.10 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 40.75 3ha4 h LEU 114 CO -0.06 0.65 -0.87 -0.33 -0.34 0.00 0.00 178.44 177.49 3ha4 h GLU 115 N 0.82 0.77 -0.22 1.25 4.39 0.30 -2.96 114.58 118.92 3ha4 h GLU 115 Ca 0.20 -0.69 -0.06 0.00 0.34 0.00 0.00 59.36 59.15 3ha4 h GLU 115 Cb 0.13 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 3ha4 h GLU 115 CO -0.02 1.28 -0.11 1.25 -1.16 0.00 0.00 179.01 180.25 3ha4 h LEU 116 N 0.49 0.33 -1.05 1.33 5.85 -1.02 -1.65 115.31 119.58 3ha4 h LEU 116 Ca -0.08 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 3ha4 h LEU 116 Cb 1.51 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.41 3ha4 h LEU 116 CO 0.18 0.48 0.39 0.74 -0.34 0.00 0.00 178.44 179.88 3ha4 h THR 117 N 0.33 1.23 -0.39 1.05 2.02 -1.06 -0.08 112.91 116.02 3ha4 h THR 117 Ca 0.07 -0.60 -0.13 0.00 0.77 0.00 0.00 66.41 66.51 3ha4 h THR 117 Cb 0.40 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3ha4 h THR 117 CO 0.02 0.26 -0.29 1.56 0.37 0.00 0.00 175.52 177.45 3ha4 h GLN 118 N 1.05 0.83 0.50 6.66 1.08 -1.23 -0.22 115.11 123.77 3ha4 h GLN 118 Ca 0.26 -0.37 -0.02 0.00 -1.45 0.00 0.00 58.65 57.07 3ha4 h GLN 118 Cb 0.06 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 3ha4 h GLN 118 CO -0.04 1.01 -0.24 0.28 -0.95 0.00 0.00 178.83 178.89 3ha4 h VAL 119 N 0.70 0.51 -0.25 -0.54 2.07 -0.81 -2.47 116.25 115.46 3ha4 h VAL 119 Ca 0.08 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.56 3ha4 h VAL 119 Cb 0.83 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 3ha4 h VAL 119 CO 0.07 0.01 0.01 -0.07 0.02 0.00 0.00 177.57 177.62 3ha4 h LEU 120 N -0.71 -0.07 -1.26 2.57 3.38 -1.01 -2.44 115.31 115.76 3ha4 h LEU 120 Ca -0.07 0.05 0.19 0.00 0.09 0.00 0.00 57.88 58.14 3ha4 h LEU 120 Cb 0.53 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.29 3ha4 h LEU 120 CO 0.11 -0.01 0.61 0.50 0.09 0.00 0.00 178.44 179.74 3ha4 h LYS 121 N 0.09 0.60 -0.25 1.13 3.64 -0.93 -2.54 116.57 118.31 3ha4 h LYS 121 Ca 0.12 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3ha4 h LYS 121 Cb 0.14 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3ha4 h LYS 121 CO -0.19 0.40 0.00 0.66 -2.27 0.00 0.00 179.45 178.05 3ha4 n TYR 122 N -4.62 0.82 -3.98 1.91 4.01 -0.94 -5.00 117.16 109.36 3ha4 n TYR 122 Ca 0.21 -0.83 -0.30 0.00 -0.16 0.00 0.00 57.90 56.81 3ha4 n TYR 122 Cb 0.60 -0.26 -0.05 0.00 -0.31 0.00 0.00 39.34 39.32 3ha4 n TYR 122 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3ha4 s SER 123 N -1.85 5.99 0.14 7.72 0.01 -0.94 -5.06 113.70 119.70 3ha4 s SER 123 Ca 0.39 0.14 -0.17 0.00 1.31 0.00 0.00 55.95 57.61 3ha4 s SER 123 Cb 0.31 -1.74 -0.07 0.00 0.21 0.00 0.00 66.02 64.72 3ha4 s SER 123 CO 0.09 0.16 0.59 -0.94 0.41 0.00 0.00 173.24 173.56 3ha4 s SER 124 N -2.50 6.95 0.55 2.44 1.04 -1.26 -4.87 113.70 116.05 3ha4 s SER 124 Ca 0.32 1.21 0.33 0.00 0.48 0.00 0.00 55.95 58.29 3ha4 s SER 124 Cb -0.13 -2.34 1.49 0.00 0.10 0.00 0.00 66.02 65.15 3ha4 s SER 124 CO 0.25 0.14 1.83 1.23 0.98 0.00 0.00 173.24 177.68 3ha4 h GLY 125 N 3.84 0.00 0.15 7.32 0.00 -1.97 2.70 103.07 115.11 3ha4 h GLY 125 Ca -0.49 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 3ha4 h GLY 125 CO 0.65 0.00 -0.13 0.50 0.00 0.00 0.00 176.54 177.56 3ha4 h LYS 126 N 0.00 -0.27 -0.76 4.80 1.57 -1.99 0.78 116.57 120.71 3ha4 h LYS 126 Ca 0.45 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 59.22 3ha4 h LYS 126 Cb 1.91 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 34.25 3ha4 h LYS 126 CO -0.00 -0.18 0.36 -0.92 -0.57 0.00 0.00 179.45 178.14 3ha4 h TYR 127 N -0.28 1.09 -0.74 -1.35 3.20 -0.89 -3.04 116.97 114.97 3ha4 h TYR 127 Ca -0.02 -0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.74 3ha4 h TYR 127 Cb 0.24 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 3ha4 h TYR 127 CO -0.09 0.80 0.24 1.25 -1.64 0.00 0.00 178.16 178.72 3ha4 h LEU 128 N 1.07 1.07 0.00 2.82 5.85 0.47 -2.94 115.31 123.65 3ha4 h LEU 128 Ca 0.26 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3ha4 h LEU 128 Cb 0.12 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.87 3ha4 h LEU 128 CO -0.03 0.99 -0.51 -0.61 -0.34 0.00 0.00 178.44 177.94 3ha4 h GLN 129 N 1.09 0.00 0.18 1.25 5.75 -0.82 -0.21 115.11 122.34 3ha4 h GLN 129 Ca 0.24 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.73 3ha4 h GLN 129 Cb 0.30 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.85 3ha4 h GLN 129 CO -0.01 0.00 -0.09 1.15 -2.65 0.00 0.00 178.83 177.24 3ha4 h THR 130 N 0.00 0.90 0.00 2.39 2.02 -1.40 -3.37 112.91 113.44 3ha4 h THR 130 Ca 0.00 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.84 3ha4 h THR 130 Cb 0.77 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 3ha4 h THR 130 CO 0.00 0.08 -1.89 -1.22 0.37 0.00 0.00 175.52 172.85 3ha4 n TYR 131 N -5.12 0.00 -4.01 3.16 4.01 -1.16 -4.84 117.16 109.20 3ha4 n TYR 131 Ca -0.09 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.30 3ha4 n TYR 131 Cb 0.18 -0.45 -0.14 0.00 -0.31 0.00 0.00 39.34 38.62 3ha4 n TYR 131 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3ha4 s VAL 132 N -3.46 3.39 0.17 -0.72 1.01 -0.10 -4.64 120.40 116.05 3ha4 s VAL 132 Ca -0.06 -0.49 -0.14 0.00 0.00 0.00 0.00 61.98 61.28 3ha4 s VAL 132 Cb 0.14 -2.53 0.06 0.00 0.00 0.00 0.00 36.38 34.05 3ha4 s VAL 132 CO 0.90 0.43 1.82 0.00 0.00 0.00 0.00 175.10 178.26 3ha4 h ALA 133 N 7.91 0.64 -2.74 5.51 0.00 -1.85 -3.32 119.26 125.41 3ha4 h ALA 133 Ca -0.40 -0.02 -0.61 0.00 0.00 0.00 0.00 54.91 53.89 3ha4 h ALA 133 Cb 1.17 -0.17 -0.40 0.00 0.00 0.00 0.00 17.79 18.39 3ha4 h ALA 133 CO 0.60 0.03 -0.78 0.34 0.00 0.00 0.00 179.25 179.45 3ha4 s ASP 134 N -5.61 3.14 0.18 0.00 -1.08 -1.26 -5.00 116.67 107.04 3ha4 s ASP 134 Ca -0.13 -3.33 -0.15 0.00 -0.52 0.00 0.00 52.55 48.42 3ha4 s ASP 134 Cb 0.12 -1.01 0.14 0.00 -1.46 0.00 0.00 42.92 40.72 3ha4 s ASP 134 CO 0.74 -0.15 1.67 -0.65 0.52 0.00 0.00 175.17 177.30 3ha4 h PRO 135 N 5.69 0.05 -0.59 4.34 0.11 -1.86 -1.59 132.00 138.15 3ha4 h PRO 135 Ca 0.18 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.24 3ha4 h PRO 135 Cb 0.85 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.92 3ha4 h PRO 135 CO 0.53 0.04 0.17 0.22 -0.21 0.00 0.00 178.00 178.74 3ha4 h ASP 136 N 0.06 0.83 -0.63 -2.05 3.58 -1.84 -0.09 116.42 116.28 3ha4 h ASP 136 Ca 0.22 -0.14 -0.03 0.00 0.42 0.00 0.00 57.03 57.50 3ha4 h ASP 136 Cb 0.34 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.14 3ha4 h ASP 136 CO -0.42 0.79 0.28 -0.08 -2.88 0.00 0.00 179.24 176.94 3ha4 h GLU 137 N 0.86 0.95 0.04 0.28 4.57 -1.78 -2.01 114.58 117.50 3ha4 h GLU 137 Ca 0.19 -0.14 -0.00 0.00 -1.18 0.00 0.00 59.36 58.23 3ha4 h GLU 137 Cb 0.28 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 3ha4 h GLU 137 CO -0.01 0.76 -0.02 1.98 -1.18 0.00 0.00 179.01 180.55 3ha4 h MET 138 N 0.94 -0.06 -1.04 1.92 4.05 -0.19 -1.45 114.93 119.11 3ha4 h MET 138 Ca 0.23 0.00 0.28 0.00 -0.28 0.00 0.00 59.70 59.93 3ha4 h MET 138 Cb 0.15 0.01 -0.12 0.00 -0.80 0.00 0.00 31.60 30.84 3ha4 h MET 138 CO -0.02 0.11 0.63 -0.09 0.23 0.00 0.00 176.91 177.77 3ha4 h ARG 139 N -0.21 0.43 0.03 0.39 2.43 -0.86 -0.68 114.38 115.90 3ha4 h ARG 139 Ca -0.01 -0.03 -0.22 0.00 -0.81 0.00 0.00 59.98 58.92 3ha4 h ARG 139 Cb 0.19 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 3ha4 h ARG 139 CO 0.01 0.29 -1.02 0.87 -1.51 0.00 0.00 179.97 178.61 3ha4 h LYS 140 N 0.45 0.07 -0.62 0.20 1.57 -0.84 -2.41 116.57 114.99 3ha4 h LYS 140 Ca 0.66 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 59.31 3ha4 h LYS 140 Cb 1.48 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.80 3ha4 h LYS 140 CO -0.44 1.02 0.32 0.93 -0.57 0.00 0.00 179.45 180.71 3ha4 h GLU 141 N 0.02 0.88 0.03 3.15 5.08 -0.12 -1.58 114.58 122.05 3ha4 h GLU 141 Ca -0.04 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3ha4 h GLU 141 Cb 1.75 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.83 3ha4 h GLU 141 CO 0.14 0.69 -0.05 0.28 -1.00 0.00 0.00 179.01 179.07 3ha4 h VAL 142 N 0.85 0.88 -0.30 3.13 2.07 -1.12 -0.82 116.25 120.95 3ha4 h VAL 142 Ca 0.22 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.80 3ha4 h VAL 142 Cb 0.07 0.88 -0.08 0.00 -1.52 0.00 0.00 31.29 30.65 3ha4 h VAL 142 CO -0.03 0.00 -0.31 0.25 0.02 0.00 0.00 177.57 177.50 3ha4 h LEU 143 N -0.10 -1.01 -0.39 2.57 5.85 -1.30 -1.78 115.31 119.15 3ha4 h LEU 143 Ca 0.01 0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.96 3ha4 h LEU 143 Cb 0.11 0.46 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 3ha4 h LEU 143 CO -0.03 -0.32 0.07 0.24 -0.34 0.00 0.00 178.44 178.06 3ha4 h MET 144 N -0.29 0.19 -0.88 1.25 2.86 -0.93 0.18 114.93 117.30 3ha4 h MET 144 Ca 0.14 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 3ha4 h MET 144 Cb 0.53 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.10 3ha4 h MET 144 CO -0.46 0.13 0.50 0.37 1.06 0.00 0.00 176.91 178.51 3ha4 h GLN 145 N 0.19 1.21 -0.54 1.72 4.15 -0.68 0.40 115.11 121.57 3ha4 h GLN 145 Ca 0.19 -0.13 -0.11 0.00 0.77 0.00 0.00 58.65 59.37 3ha4 h GLN 145 Cb 0.23 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 3ha4 h GLN 145 CO -0.25 0.87 -0.09 -0.07 -1.93 0.00 0.00 178.83 177.36 3ha4 h LEU 146 N 1.23 0.98 -0.75 -2.39 3.38 -0.85 -1.76 115.31 115.15 3ha4 h LEU 146 Ca 0.31 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3ha4 h LEU 146 Cb -0.01 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3ha4 h LEU 146 CO -0.05 1.09 -0.01 -0.07 0.09 0.00 0.00 178.44 179.48 3ha4 h LEU 147 N 0.89 0.92 -0.77 1.67 3.38 -0.46 0.03 115.31 120.96 3ha4 h LEU 147 Ca 0.14 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 3ha4 h LEU 147 Cb 0.64 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3ha4 h LEU 147 CO 0.04 0.99 0.29 0.78 0.09 0.00 0.00 178.44 180.63 3ha4 h ASN 148 N 0.87 1.08 -0.44 -0.43 2.35 -0.67 -2.69 115.58 115.65 3ha4 h ASN 148 Ca 0.16 -0.18 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 3ha4 h ASN 148 Cb 0.52 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 3ha4 h ASN 148 CO 0.03 0.97 -0.03 0.58 -1.65 0.00 0.00 177.43 177.33 3ha4 h VAL 149 N 1.13 1.27 -0.87 2.81 2.07 -1.18 0.17 116.25 121.65 3ha4 h VAL 149 Ca 0.26 -1.09 0.06 0.00 0.82 0.00 0.00 66.70 66.75 3ha4 h VAL 149 Cb 0.24 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 3ha4 h VAL 149 CO -0.02 0.37 0.57 0.50 0.02 0.00 0.00 177.57 179.01 3ha4 h LYS 150 N 0.63 0.96 -0.33 1.57 3.64 -0.79 -3.15 116.57 119.10 3ha4 h LYS 150 Ca 0.12 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 3ha4 h LYS 150 Cb 0.54 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 3ha4 h LYS 150 CO 0.03 0.63 0.01 0.66 -2.27 0.00 0.00 179.45 178.51 3ha4 n TYR 151 N -4.49 1.11 -2.15 1.91 4.01 -1.03 -4.94 117.16 111.58 3ha4 n TYR 151 Ca 0.13 -1.12 -0.15 0.00 -0.16 0.00 0.00 57.90 56.60 3ha4 n TYR 151 Cb 0.20 -0.40 -0.02 0.00 -0.31 0.00 0.00 39.34 38.81 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 -0.69 0.04 0.22 2.72 0.00 -1.11 -4.87 105.19 101.51 3ha4 n GLY 152 Ca 0.27 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 0.73 -6.14 1.61 3.08 -0.95 -3.44 114.38 109.28 3ha4 h ARG 153 Ca -0.35 -0.38 -0.59 0.00 0.07 0.00 0.00 59.98 58.74 3ha4 h ARG 153 Cb 1.19 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.20 3ha4 h ARG 153 CO 0.43 1.00 -0.21 0.54 -1.07 0.00 0.00 179.97 180.66 3ha4 s VAL 154 N -4.40 5.04 -0.74 2.04 0.11 -1.17 -5.04 120.40 116.24 3ha4 s VAL 154 Ca -0.12 0.57 0.03 0.00 -2.93 0.00 0.00 61.98 59.53 3ha4 s VAL 154 Cb 0.09 -3.67 0.18 0.00 -1.53 0.00 0.00 36.38 31.45 3ha4 s VAL 154 CO 0.83 0.32 0.55 -0.55 -3.33 0.00 0.00 175.10 172.92 3ha4 s SER 155 N -1.67 5.10 0.12 3.54 0.15 -1.26 -4.91 113.70 114.77 3ha4 s SER 155 Ca 0.33 -3.78 0.10 0.00 0.70 0.00 0.00 55.95 53.30 3ha4 s SER 155 Cb -0.14 -1.71 -0.04 0.00 -1.71 0.00 0.00 66.02 62.42 3ha4 s SER 155 CO 0.18 -0.12 -0.24 -0.62 1.20 0.00 0.00 173.24 173.63 3ha4 s ASP 156 N -1.06 3.47 0.00 5.45 2.15 -1.26 -5.02 116.67 120.40 3ha4 s ASP 156 Ca 0.25 -0.69 0.19 0.00 0.43 0.00 0.00 52.55 52.73 3ha4 s ASP 156 Cb -0.06 -0.31 0.27 0.00 -0.30 0.00 0.00 42.92 42.51 3ha4 s ASP 156 CO -0.15 0.18 1.21 -0.81 -0.17 0.00 0.00 175.17 175.44 3ha4 n PRO 157 N 0.91 2.02 -4.34 4.34 -0.04 -1.26 -4.88 135.00 131.76 3ha4 n PRO 157 Ca -0.17 -1.90 -0.34 0.00 -0.04 0.00 0.00 63.50 61.05 3ha4 n PRO 157 Cb 0.53 -1.40 -0.12 0.00 -0.04 0.00 0.00 33.50 32.47 3ha4 n PRO 157 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3ha4 s ASN 158 N -1.42 4.83 0.00 3.54 0.01 -1.26 -5.01 114.94 115.62 3ha4 s ASN 158 Ca 0.28 -0.13 0.00 0.00 -0.71 0.00 0.00 52.86 52.30 3ha4 s ASN 158 Cb 0.18 -1.79 0.00 0.00 0.41 0.00 0.00 41.25 40.04 3ha4 s ASN 158 CO 0.25 0.15 0.00 0.61 -1.51 0.00 0.00 177.10 176.61 3ha4 n GLY 159 N 3.63 0.40 0.10 0.66 0.00 -1.26 -3.78 105.19 104.94 3ha4 n GLY 159 Ca -0.17 -2.28 0.13 0.00 0.00 0.00 0.00 46.02 43.69 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 -0.22 -1.57 0.57 -0.02 0.00 -1.26 -4.99 105.19 97.71 3ha4 n GLY 160 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3ha4 n GLY 160 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ha4 n ARG 161 N -2.16 -1.64 -4.17 1.61 3.00 -1.26 -5.04 116.66 106.99 3ha4 n ARG 161 Ca 0.05 1.22 -0.23 0.00 -0.01 0.00 0.00 57.85 58.88 3ha4 n ARG 161 Cb 0.37 -1.37 -0.06 0.00 0.00 0.00 0.00 32.46 31.40 3ha4 n ARG 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3ha4 s VAL 162 N -2.37 3.66 0.00 1.55 0.11 -1.26 -4.97 120.40 117.12 3ha4 s VAL 162 Ca 0.00 -1.69 0.00 0.00 -2.93 0.00 0.00 61.98 57.36 3ha4 s VAL 162 Cb 0.00 -3.06 0.00 0.00 -1.53 0.00 0.00 36.38 31.79 3ha4 s VAL 162 CO 0.00 -0.32 0.00 -0.46 -3.33 0.00 0.00 175.10 170.99 3ha4 n ASN 163 N -1.06 0.00 0.04 3.54 0.23 -1.26 -4.99 115.26 111.76 3ha4 n ASN 163 Ca -0.06 -0.49 -0.06 0.00 -0.53 0.00 0.00 54.58 53.44 3ha4 n ASN 163 Cb 0.59 0.00 0.14 0.00 -2.08 0.00 0.00 39.78 38.43 3ha4 n ASN 163 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3ha4 h LYS 164 N 0.00 0.41 -0.27 -3.83 1.63 -1.99 -1.75 116.57 110.77 3ha4 h LYS 164 Ca 0.00 -0.22 -0.09 0.00 -0.85 0.00 0.00 60.65 59.48 3ha4 h LYS 164 Cb 0.00 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.64 3ha4 h LYS 164 CO 0.00 0.79 -0.20 -0.44 -3.45 0.00 0.00 179.45 176.15 3ha4 h ASP 165 N 0.33 0.64 -0.53 4.20 3.32 -2.01 -3.01 116.42 119.36 3ha4 h ASP 165 Ca 0.02 -0.45 -0.07 0.00 0.02 0.00 0.00 57.03 56.55 3ha4 h ASP 165 Cb 0.94 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 3ha4 h ASP 165 CO 0.08 0.95 0.08 0.58 -1.72 0.00 0.00 179.24 179.22 3ha4 h VAL 166 N 0.33 1.25 -0.96 -1.35 2.07 -1.93 -2.87 116.25 112.80 3ha4 h VAL 166 Ca 0.05 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.61 3ha4 h VAL 166 Cb 0.75 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 3ha4 h VAL 166 CO 0.05 0.35 0.61 -0.08 0.02 0.00 0.00 177.57 178.53 3ha4 h GLU 167 N 0.87 1.28 -0.64 1.57 4.81 -1.32 -1.06 114.58 120.10 3ha4 h GLU 167 Ca 0.18 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 3ha4 h GLU 167 Cb 0.40 -0.28 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 3ha4 h GLU 167 CO 0.01 0.87 0.27 1.49 -0.73 0.00 0.00 179.01 180.92 3ha4 h GLU 168 N 1.31 0.95 0.00 1.92 4.57 -1.37 -0.71 114.58 121.25 3ha4 h GLU 168 Ca 0.35 -0.16 -0.10 0.00 -1.18 0.00 0.00 59.36 58.26 3ha4 h GLU 168 Cb -0.11 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.31 3ha4 h GLU 168 CO -0.07 0.79 -0.50 -0.84 -1.18 0.00 0.00 179.01 177.21 3ha4 h ILE 169 N 0.89 0.99 -0.34 2.32 3.07 -1.41 -1.66 117.51 121.36 3ha4 h ILE 169 Ca 0.21 -2.00 -0.00 0.00 1.55 0.00 0.00 64.86 64.63 3ha4 h ILE 169 Cb 0.19 2.21 -0.02 0.00 -0.27 0.00 0.00 36.82 38.93 3ha4 h ILE 169 CO -0.02 0.49 0.21 0.40 -1.05 0.00 0.00 178.15 178.18 3ha4 h ILE 170 N 0.00 1.11 -0.10 0.16 2.04 -0.93 -1.39 117.51 118.39 3ha4 h ILE 170 Ca -0.00 -0.23 0.03 0.00 1.00 0.00 0.00 64.86 65.65 3ha4 h ILE 170 Cb 1.17 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 3ha4 h ILE 170 CO 0.06 0.11 -0.07 0.28 0.00 0.00 0.00 178.15 178.53 3ha4 h SER 171 N 0.45 -0.23 -0.59 1.72 0.02 -0.77 0.13 113.55 114.28 3ha4 h SER 171 Ca 0.12 0.05 0.12 0.00 -0.84 0.00 0.00 61.79 61.24 3ha4 h SER 171 Cb -0.01 0.12 -0.09 0.00 0.14 0.00 0.00 62.40 62.55 3ha4 h SER 171 CO -0.02 -0.10 0.05 0.24 -1.14 0.00 0.00 176.83 175.86 3ha4 h MET 172 N -0.08 0.16 -0.52 3.45 2.86 -1.21 0.17 114.93 119.77 3ha4 h MET 172 Ca 0.07 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.62 3ha4 h MET 172 Cb 0.17 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3ha4 h MET 172 CO -0.15 0.11 0.02 0.00 1.06 0.00 0.00 176.91 177.95 3ha4 h ALA 173 N 1.51 1.06 -0.56 6.32 0.00 -0.76 -1.01 119.26 125.82 3ha4 h ALA 173 Ca 0.31 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3ha4 h ALA 173 Cb 0.48 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3ha4 h ALA 173 CO -0.46 0.59 0.17 0.28 0.00 0.00 0.00 179.25 179.83 3ha4 h VAL 174 N 0.80 1.24 0.24 0.00 2.07 0.83 -1.17 116.25 120.26 3ha4 h VAL 174 Ca 0.16 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 3ha4 h VAL 174 Cb 0.45 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3ha4 h VAL 174 CO 0.02 0.31 -0.12 -0.78 0.02 0.00 0.00 177.57 177.01 3ha4 h ASP 175 N 0.79 -0.30 -0.83 0.57 3.58 -0.44 -0.07 116.42 119.72 3ha4 h ASP 175 Ca 0.18 0.01 0.21 0.00 0.42 0.00 0.00 57.03 57.85 3ha4 h ASP 175 Cb 0.29 0.08 -0.13 0.00 1.72 0.00 0.00 39.33 41.29 3ha4 h ASP 175 CO -0.00 -0.21 0.17 0.44 -2.88 0.00 0.00 179.24 176.76 3ha4 h ASP 176 N -0.33 -0.08 -0.01 2.28 3.32 -0.92 -2.74 116.42 117.94 3ha4 h ASP 176 Ca -0.03 0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 3ha4 h ASP 176 Cb 0.26 0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3ha4 h ASP 176 CO 0.04 -0.14 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.34 3ha4 h LEU 177 N 0.20 0.02 -1.06 1.55 3.38 -0.63 -2.94 115.31 115.82 3ha4 h LEU 177 Ca 0.50 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3ha4 h LEU 177 Cb 0.95 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.69 3ha4 h LEU 177 CO -0.63 0.59 0.35 -0.33 0.09 0.00 0.00 178.44 178.50 3ha4 h GLU 178 N -0.54 0.00 0.00 1.13 5.08 -0.72 -1.39 114.58 118.14 3ha4 h GLU 178 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3ha4 h GLU 178 Cb 0.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3ha4 h GLU 178 CO 0.00 0.00 -0.18 0.09 -1.00 0.00 0.00 179.01 177.92 3ha4 n ASN 179 N -2.25 1.81 -3.60 1.42 5.03 -1.12 -4.89 115.26 111.66 3ha4 n ASN 179 Ca -0.01 -2.96 -0.13 0.00 0.87 0.00 0.00 54.58 52.35 3ha4 n ASN 179 Cb 0.37 -0.40 0.01 0.00 -1.02 0.00 0.00 39.78 38.75 3ha4 n ASN 179 CO 0.00 0.00 0.00 0.23 -1.83 0.00 0.00 177.26 175.66 3ha4 n MET 180 N -1.08 0.95 0.00 3.52 2.81 -0.52 -5.04 117.12 117.76 3ha4 n MET 180 Ca 0.13 -1.86 0.00 0.00 -1.81 0.00 0.00 57.70 54.16 3ha4 n MET 180 Cb 0.67 0.09 0.00 0.00 -0.71 0.00 0.00 33.22 33.28 3ha4 n MET 180 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3ha4 n ASP 181 N -2.15 0.00 -2.94 7.83 2.03 -1.26 -5.00 116.55 115.06 3ha4 n ASP 181 Ca 0.02 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.21 3ha4 n ASP 181 Cb 0.34 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.81 3ha4 n ASP 181 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3ha4 n LEU 182 N 0.00 -4.64 0.00 -2.67 4.77 -1.26 -4.78 117.00 108.42 3ha4 n LEU 182 Ca 0.00 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 3ha4 n LEU 182 Cb 0.00 -2.70 0.00 0.00 -2.33 0.00 0.00 43.42 38.39 3ha4 n LEU 182 CO 0.00 0.14 0.00 -3.20 -1.33 0.00 0.00 177.39 173.00