#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ha4 s PRO 73 N 0.00 3.72 0.50 -0.14 0.02 -1.26 -4.98 135.00 132.86 3ha4 s PRO 73 Ca 0.00 1.80 -0.23 0.00 0.02 0.00 0.00 61.00 62.59 3ha4 s PRO 73 Cb 0.00 -2.39 -0.07 0.00 0.02 0.00 0.00 34.50 32.06 3ha4 s PRO 73 CO 0.00 -0.59 1.31 -2.30 -0.33 0.00 0.00 177.00 175.09 3ha4 n PRO 74 N -0.53 1.78 -0.17 5.54 -0.02 -1.26 -4.83 135.00 135.52 3ha4 n PRO 74 Ca 0.07 0.65 -0.06 0.00 -2.02 0.00 0.00 63.50 62.14 3ha4 n PRO 74 Cb 0.48 -2.49 0.03 0.00 -0.02 0.00 0.00 33.50 31.50 3ha4 n PRO 74 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 3ha4 h TRP 75 N 1.68 0.57 -0.71 6.00 7.01 -1.99 -1.70 115.95 126.81 3ha4 h TRP 75 Ca -0.50 0.02 0.12 0.00 2.11 0.00 0.00 58.89 60.64 3ha4 h TRP 75 Cb 1.30 -0.19 -0.09 0.00 -2.10 0.00 0.00 29.16 28.09 3ha4 h TRP 75 CO 0.46 0.34 0.27 -1.35 -2.79 0.00 0.00 178.44 175.37 3ha4 h PRO 76 N 0.61 0.42 -0.24 2.65 0.11 -1.99 0.14 132.00 133.70 3ha4 h PRO 76 Ca 0.20 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.21 3ha4 h PRO 76 Cb -0.01 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.00 3ha4 h PRO 76 CO -0.08 0.28 -0.11 -0.07 -0.21 0.00 0.00 178.00 177.81 3ha4 h LEU 77 N 0.43 0.52 -0.30 2.35 3.38 -1.85 -1.30 115.31 118.53 3ha4 h LEU 77 Ca 0.38 -0.41 0.04 0.00 0.09 0.00 0.00 57.88 57.98 3ha4 h LEU 77 Cb 0.54 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 3ha4 h LEU 77 CO -0.37 0.81 0.06 0.25 0.09 0.00 0.00 178.44 179.27 3ha4 h LEU 78 N 0.22 0.01 -1.17 1.67 5.85 -0.78 -0.97 115.31 120.14 3ha4 h LEU 78 Ca 0.05 0.05 0.11 0.00 0.84 0.00 0.00 57.88 58.93 3ha4 h LEU 78 Cb 0.61 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.64 3ha4 h LEU 78 CO 0.03 0.04 0.59 -0.74 -0.34 0.00 0.00 178.44 178.02 3ha4 h HIS 79 N 0.17 0.97 -0.20 1.25 2.76 -0.68 -2.41 115.15 117.01 3ha4 h HIS 79 Ca 0.14 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.33 3ha4 h HIS 79 Cb 0.15 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 28.79 3ha4 h HIS 79 CO -0.17 0.42 0.10 0.37 -1.30 0.00 0.00 177.93 177.34 3ha4 h GLN 80 N 0.88 0.29 -0.60 5.26 4.15 0.01 -1.99 115.11 123.10 3ha4 h GLN 80 Ca 0.44 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.75 3ha4 h GLN 80 Cb 0.49 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.10 3ha4 h GLN 80 CO -0.20 0.32 0.09 0.00 -1.93 0.00 0.00 178.83 177.11 3ha4 h ARG 81 N 0.20 0.97 -0.45 1.69 3.08 -1.04 -2.49 114.38 116.33 3ha4 h ARG 81 Ca 0.07 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 59.85 3ha4 h ARG 81 Cb 0.12 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3ha4 h ARG 81 CO -0.01 0.90 0.16 0.28 -1.07 0.00 0.00 179.97 180.23 3ha4 h VAL 82 N 0.91 1.21 -0.52 2.04 2.07 -1.27 -2.51 116.25 118.19 3ha4 h VAL 82 Ca 0.19 -0.69 0.05 0.00 0.82 0.00 0.00 66.70 67.07 3ha4 h VAL 82 Cb 0.40 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 3ha4 h VAL 82 CO 0.01 0.25 0.35 0.58 0.02 0.00 0.00 177.57 178.78 3ha4 h VAL 83 N 0.58 1.00 -0.36 2.57 2.07 -1.11 -1.67 116.25 119.33 3ha4 h VAL 83 Ca 0.15 -0.17 -0.08 0.00 0.82 0.00 0.00 66.70 67.41 3ha4 h VAL 83 Cb 0.23 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 3ha4 h VAL 83 CO -0.01 0.09 -0.12 -0.07 0.02 0.00 0.00 177.57 177.48 3ha4 h LEU 84 N 0.50 0.62 -0.94 2.57 3.38 -1.01 -2.81 115.31 117.61 3ha4 h LEU 84 Ca 0.22 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3ha4 h LEU 84 Cb 0.25 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 3ha4 h LEU 84 CO -0.06 0.77 0.60 -0.07 0.09 0.00 0.00 178.44 179.77 3ha4 h LEU 85 N 0.58 1.11 -2.31 1.67 3.38 -1.09 -0.22 115.31 118.43 3ha4 h LEU 85 Ca 0.10 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.05 3ha4 h LEU 85 Cb 0.55 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3ha4 h LEU 85 CO 0.03 0.83 0.21 0.03 0.09 0.00 0.00 178.44 179.63 3ha4 h ARG 86 N 1.29 0.00 -0.02 1.13 3.08 -1.42 0.66 114.38 119.10 3ha4 h ARG 86 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 3ha4 h ARG 86 Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.95 3ha4 h ARG 86 CO -0.07 0.00 -0.36 0.39 -1.07 0.00 0.00 179.97 178.86 3ha4 n GLU 87 N -3.42 1.44 -3.29 0.04 -0.58 -0.22 -4.99 120.64 109.63 3ha4 n GLU 87 Ca 0.00 -1.18 -0.14 0.00 -0.42 0.00 0.00 57.16 55.42 3ha4 n GLU 87 Cb 0.31 -1.48 0.04 0.00 -0.57 0.00 0.00 31.44 29.74 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 1.40 -1.17 0.00 0.62 0.00 0.23 -4.96 105.19 101.32 3ha4 n GLY 88 Ca 0.10 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.66 3ha4 n GLY 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ha4 n LYS 89 N -2.97 0.00 0.00 1.61 5.02 -0.48 -5.00 118.16 116.34 3ha4 n LYS 89 Ca -0.06 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 3ha4 n LYS 89 Cb 0.59 -0.15 0.00 0.00 -0.02 0.00 0.00 35.03 35.45 3ha4 n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ha4 n GLY 90 N 0.00 2.16 2.85 0.72 0.00 -1.23 -4.89 105.19 104.80 3ha4 n GLY 90 Ca 0.00 -1.11 -0.36 0.00 0.00 0.00 0.00 46.02 44.55 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 -3.00 4.41 0.16 4.61 0.00 -1.26 -4.86 120.51 120.57 3ha4 n ALA 91 Ca 0.00 -4.74 0.19 0.00 0.00 0.00 0.00 53.44 48.89 3ha4 n ALA 91 Cb 0.00 -1.70 0.73 0.00 0.00 0.00 0.00 19.45 18.49 3ha4 n ALA 91 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3ha4 h PRO 92 N 5.20 0.00 0.00 0.00 0.11 -1.96 1.52 132.00 136.87 3ha4 h PRO 92 Ca 0.19 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.28 3ha4 h PRO 92 Cb 0.69 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.80 3ha4 h PRO 92 CO 1.03 0.00 -0.09 0.93 -0.21 0.00 0.00 178.00 179.66 3ha4 h GLU 93 N 0.00 0.00 -0.40 1.05 3.07 -1.91 -2.77 114.58 113.62 3ha4 h GLU 93 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 3ha4 h GLU 93 Cb 1.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 3ha4 h GLU 93 CO -0.00 0.09 0.00 -0.25 -1.40 0.00 0.00 179.01 177.45 3ha4 n ASP 94 N -3.48 4.41 0.03 1.42 8.00 0.52 -4.61 116.55 122.83 3ha4 n ASP 94 Ca -0.02 -2.84 -0.13 0.00 0.71 0.00 0.00 54.79 52.52 3ha4 n ASP 94 Cb 0.23 -0.56 -0.07 0.00 -0.02 0.00 0.00 41.12 40.70 3ha4 n ASP 94 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3ha4 h ILE 95 N 2.68 0.13 -0.67 0.53 2.04 -1.50 0.17 117.51 120.89 3ha4 h ILE 95 Ca 0.00 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.99 3ha4 h ILE 95 Cb 1.53 0.13 -0.10 0.00 -0.74 0.00 0.00 36.82 37.64 3ha4 h ILE 95 CO 0.28 0.00 0.17 0.00 0.00 0.00 0.00 178.15 178.59 3ha4 h ALA 96 N -0.01 0.84 0.85 1.87 0.00 -1.85 -1.18 119.26 119.78 3ha4 h ALA 96 Ca 0.06 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3ha4 h ALA 96 Cb 0.65 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3ha4 h ALA 96 CO -0.36 -0.30 -0.46 1.25 0.00 0.00 0.00 179.25 179.38 3ha4 h LEU 97 N 0.29 -1.13 -0.11 0.00 6.46 -1.59 0.05 115.31 119.28 3ha4 h LEU 97 Ca 0.36 0.05 0.04 0.00 -0.12 0.00 0.00 57.88 58.22 3ha4 h LEU 97 Cb 0.57 0.31 -0.06 0.00 -0.73 0.00 0.00 40.66 40.76 3ha4 h LEU 97 CO -0.44 -0.75 -0.25 0.24 -0.62 0.00 0.00 178.44 176.62 3ha4 h MET 98 N -1.21 -0.32 -0.31 1.25 2.86 -0.38 0.15 114.93 116.97 3ha4 h MET 98 Ca -0.11 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.58 3ha4 h MET 98 Cb 0.95 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.67 3ha4 h MET 98 CO 0.15 -0.21 0.21 2.35 1.06 0.00 0.00 176.91 180.47 3ha4 h TRP 99 N -0.33 0.26 -0.01 -0.22 -0.00 -1.18 -0.69 115.95 113.78 3ha4 h TRP 99 Ca 0.09 0.01 -0.19 0.00 -0.00 0.00 0.00 58.89 58.80 3ha4 h TRP 99 Cb 0.47 -0.09 -0.01 0.00 -0.00 0.00 0.00 29.16 29.53 3ha4 h TRP 99 CO -0.34 0.15 -0.83 1.49 -0.00 0.00 0.00 178.44 178.91 3ha4 h GLU 100 N 0.27 0.19 -0.21 2.65 4.57 0.63 -1.79 114.58 120.89 3ha4 h GLU 100 Ca 0.13 -0.19 -0.19 0.00 -1.18 0.00 0.00 59.36 57.93 3ha4 h GLU 100 Cb 0.18 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 3ha4 h GLU 100 CO -0.03 0.91 -0.62 1.96 -1.18 0.00 0.00 179.01 180.06 3ha4 h GLN 101 N 0.11 0.71 -0.06 1.92 4.20 0.49 -1.57 115.11 120.91 3ha4 h GLN 101 Ca -0.04 -0.49 -0.01 0.00 0.06 0.00 0.00 58.65 58.18 3ha4 h GLN 101 Cb 1.44 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 29.29 3ha4 h GLN 101 CO 0.13 1.11 0.00 0.00 -0.67 0.00 0.00 178.83 179.40 3ha4 h THR 102 N 0.53 1.24 -1.00 -0.54 1.03 -1.19 0.63 112.91 113.60 3ha4 h THR 102 Ca -0.01 -0.73 0.24 0.00 -0.01 0.00 0.00 66.41 65.90 3ha4 h THR 102 Cb 1.21 1.61 -0.12 0.00 -1.07 0.00 0.00 68.15 69.77 3ha4 h THR 102 CO 0.13 0.20 0.60 0.50 -0.01 0.00 0.00 175.52 176.94 3ha4 h LYS 103 N -0.17 0.60 0.06 0.00 3.64 -1.32 0.25 116.57 119.63 3ha4 h LYS 103 Ca 0.02 -0.04 -0.23 0.00 -1.27 0.00 0.00 60.65 59.13 3ha4 h LYS 103 Cb 0.31 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 3ha4 h LYS 103 CO 0.00 0.40 -1.24 1.25 -2.27 0.00 0.00 179.45 177.59 3ha4 h HIS 104 N 0.62 0.24 0.00 1.91 2.76 -0.86 -3.37 115.15 116.45 3ha4 h HIS 104 Ca 0.63 -0.17 -0.33 0.00 -2.20 0.00 0.00 60.37 58.30 3ha4 h HIS 104 Cb 1.16 -0.01 -0.06 0.00 1.55 0.00 0.00 27.41 30.06 3ha4 h HIS 104 CO -0.01 1.49 -2.05 0.66 -1.30 0.00 0.00 177.93 176.72 3ha4 n TYR 105 N -4.15 0.49 -3.20 5.26 4.01 0.22 -4.69 117.16 115.10 3ha4 n TYR 105 Ca -0.26 0.18 -0.24 0.00 -0.16 0.00 0.00 57.90 57.41 3ha4 n TYR 105 Cb 0.79 -1.09 -0.06 0.00 -0.31 0.00 0.00 39.34 38.67 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 -2.89 1.78 1.38 -0.72 4.01 0.87 -4.89 117.16 116.70 3ha4 n TYR 106 Ca -0.25 -3.87 0.15 0.00 -0.16 0.00 0.00 57.90 53.76 3ha4 n TYR 106 Cb 1.10 -0.45 0.73 0.00 -0.31 0.00 0.00 39.34 40.41 3ha4 n TYR 106 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3ha4 n PRO 107 N 0.64 0.40 0.00 -0.72 -0.05 -1.13 -2.75 135.00 131.39 3ha4 n PRO 107 Ca 0.26 -0.01 0.10 0.00 -0.05 0.00 0.00 63.50 63.80 3ha4 n PRO 107 Cb 0.50 -1.50 -0.01 0.00 -0.05 0.00 0.00 33.50 32.44 3ha4 n PRO 107 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3ha4 n ALA 108 N -1.29 3.50 -1.80 0.55 0.00 -1.26 -4.84 120.51 115.37 3ha4 n ALA 108 Ca 0.14 -0.61 -0.40 0.00 0.00 0.00 0.00 53.44 52.56 3ha4 n ALA 108 Cb 0.25 -0.72 -0.05 0.00 0.00 0.00 0.00 19.45 18.94 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 -2.32 7.35 -0.06 0.00 2.15 -1.11 -3.98 116.67 118.70 3ha4 s ASP 109 Ca 0.16 2.18 0.11 0.00 0.43 0.00 0.00 52.55 55.43 3ha4 s ASP 109 Cb 0.16 -2.62 -0.16 0.00 -0.30 0.00 0.00 42.92 40.00 3ha4 s ASP 109 CO 0.53 -0.09 0.15 -2.67 -0.17 0.00 0.00 175.17 172.92 3ha4 n TRP 110 N 1.43 0.00 0.13 -5.34 4.27 -1.26 -4.67 117.44 111.99 3ha4 n TRP 110 Ca -0.01 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.47 3ha4 n TRP 110 Cb 0.45 -0.42 -0.08 0.00 -1.36 0.00 0.00 31.31 29.91 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 -0.29 -0.41 5.67 5.85 -1.92 -1.01 115.31 123.20 3ha4 h LEU 111 Ca -0.15 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.40 3ha4 h LEU 111 Cb 1.13 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 3ha4 h LEU 111 CO 0.01 0.08 0.16 0.40 -0.34 0.00 0.00 178.44 178.75 3ha4 h ILE 112 N -0.69 0.89 -0.50 4.05 2.04 -1.98 -1.38 117.51 119.95 3ha4 h ILE 112 Ca -0.03 -0.11 0.07 0.00 1.00 0.00 0.00 64.86 65.78 3ha4 h ILE 112 Cb 0.48 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 3ha4 h ILE 112 CO 0.06 0.06 0.17 -0.65 0.00 0.00 0.00 178.15 177.79 3ha4 h PRO 113 N 0.33 0.33 -0.37 2.37 0.11 -1.82 0.35 132.00 133.30 3ha4 h PRO 113 Ca 0.19 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.36 3ha4 h PRO 113 Cb 0.16 -0.07 -0.08 0.00 0.11 0.00 0.00 31.00 31.11 3ha4 h PRO 113 CO -0.18 0.22 -0.23 -0.07 -0.21 0.00 0.00 178.00 177.53 3ha4 h LEU 114 N 0.34 -0.77 0.02 2.35 4.07 -0.68 0.79 115.31 121.42 3ha4 h LEU 114 Ca 0.24 0.16 0.03 0.00 0.08 0.00 0.00 57.88 58.38 3ha4 h LEU 114 Cb 0.26 0.39 -0.04 0.00 1.08 0.00 0.00 40.66 42.36 3ha4 h LEU 114 CO -0.25 -0.26 -0.20 -0.33 -1.08 0.00 0.00 178.44 176.32 3ha4 h GLU 115 N -0.17 -0.32 -0.91 1.13 4.39 -0.48 -1.44 114.58 116.77 3ha4 h GLU 115 Ca 0.18 0.02 0.13 0.00 0.34 0.00 0.00 59.36 60.03 3ha4 h GLU 115 Cb 0.46 0.07 -0.09 0.00 -0.10 0.00 0.00 28.75 29.09 3ha4 h GLU 115 CO -0.47 -0.21 0.54 1.25 -1.16 0.00 0.00 179.01 178.95 3ha4 h LEU 116 N -0.33 0.74 -1.32 1.33 5.85 0.28 0.17 115.31 122.02 3ha4 h LEU 116 Ca 0.05 0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.93 3ha4 h LEU 116 Cb 0.40 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 3ha4 h LEU 116 CO -0.18 0.37 0.53 0.74 -0.34 0.00 0.00 178.44 179.56 3ha4 h THR 117 N 0.82 0.95 0.00 1.05 2.02 0.16 0.85 112.91 118.76 3ha4 h THR 117 Ca 0.47 -0.26 -0.12 0.00 0.77 0.00 0.00 66.41 67.27 3ha4 h THR 117 Cb 0.54 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 3ha4 h THR 117 CO -0.30 0.14 -0.57 1.56 0.37 0.00 0.00 175.52 176.72 3ha4 h GLN 118 N 0.76 0.00 -0.22 6.66 1.08 0.12 -1.31 115.11 122.21 3ha4 h GLN 118 Ca 0.37 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.53 3ha4 h GLN 118 Cb 0.43 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 3ha4 h GLN 118 CO -0.15 0.57 -0.01 0.28 -0.95 0.00 0.00 178.83 178.57 3ha4 h VAL 119 N 0.00 1.26 -0.42 -0.54 2.07 -0.03 -2.40 116.25 116.19 3ha4 h VAL 119 Ca -0.01 -0.93 -0.12 0.00 0.82 0.00 0.00 66.70 66.46 3ha4 h VAL 119 Cb 1.06 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 3ha4 h VAL 119 CO 0.07 0.29 -0.23 -0.07 0.02 0.00 0.00 177.57 177.65 3ha4 h LEU 120 N 0.15 0.88 -0.57 2.57 3.38 -1.22 -2.66 115.31 117.84 3ha4 h LEU 120 Ca 0.06 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 3ha4 h LEU 120 Cb 0.43 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3ha4 h LEU 120 CO 0.01 1.07 0.17 0.50 0.09 0.00 0.00 178.44 180.28 3ha4 h LYS 121 N 0.75 0.89 -0.13 1.13 3.64 -1.17 -3.32 116.57 118.37 3ha4 h LYS 121 Ca 0.10 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3ha4 h LYS 121 Cb 0.77 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3ha4 h LYS 121 CO 0.06 0.81 0.00 0.66 -2.27 0.00 0.00 179.45 178.71 3ha4 n TYR 122 N -4.42 0.37 -3.69 1.91 4.01 -0.91 -5.01 117.16 109.41 3ha4 n TYR 122 Ca 0.03 -0.83 -0.34 0.00 -0.16 0.00 0.00 57.90 56.60 3ha4 n TYR 122 Cb 0.21 -0.18 -0.05 0.00 -0.31 0.00 0.00 39.34 39.01 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 -2.07 6.53 0.04 7.72 0.01 -1.00 -5.02 113.70 119.91 3ha4 s SER 123 Ca 0.30 0.62 -0.30 0.00 1.31 0.00 0.00 55.95 57.88 3ha4 s SER 123 Cb 0.24 -2.11 -0.08 0.00 0.21 0.00 0.00 66.02 64.28 3ha4 s SER 123 CO 0.06 0.18 1.87 -0.94 0.41 0.00 0.00 173.24 174.82 3ha4 s SER 124 N -1.92 6.49 0.66 2.44 1.04 -1.26 -4.80 113.70 116.35 3ha4 s SER 124 Ca 0.33 2.60 0.17 0.00 0.48 0.00 0.00 55.95 59.52 3ha4 s SER 124 Cb -0.13 -2.54 0.88 0.00 0.10 0.00 0.00 66.02 64.33 3ha4 s SER 124 CO 0.19 -1.01 1.49 1.23 0.98 0.00 0.00 173.24 176.12 3ha4 h GLY 125 N 10.09 0.00 1.48 7.32 0.00 -1.97 3.58 103.07 123.58 3ha4 h GLY 125 Ca -0.47 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 46.59 3ha4 h GLY 125 CO 0.94 0.00 -1.36 0.07 0.00 0.00 0.00 176.54 176.20 3ha4 h LYS 126 N 0.00 0.15 0.00 4.80 2.10 -2.00 -2.73 116.57 118.89 3ha4 h LYS 126 Ca 0.02 -0.25 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 3ha4 h LYS 126 Cb 1.33 0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.76 3ha4 h LYS 126 CO -0.00 1.01 0.00 -0.92 -2.00 0.00 0.00 179.45 177.54 3ha4 h TYR 127 N 0.04 0.00 0.10 0.07 3.20 0.62 -2.83 116.97 118.17 3ha4 h TYR 127 Ca -0.16 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.70 3ha4 h TYR 127 Cb 1.94 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.21 3ha4 h TYR 127 CO 0.04 0.00 -0.05 1.25 -1.64 0.00 0.00 178.16 177.76 3ha4 h LEU 128 N 0.00 -0.12 -1.02 2.82 5.85 -0.27 -2.21 115.31 120.36 3ha4 h LEU 128 Ca 0.00 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.44 3ha4 h LEU 128 Cb 0.80 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.80 3ha4 h LEU 128 CO 0.00 0.49 0.66 0.06 -0.34 0.00 0.00 178.44 179.30 3ha4 h GLN 129 N -0.98 1.25 -0.06 1.25 3.07 -1.52 0.81 115.11 118.93 3ha4 h GLN 129 Ca -0.01 -0.08 0.00 0.00 0.09 0.00 0.00 58.65 58.65 3ha4 h GLN 129 Cb 0.42 -0.28 -0.00 0.00 0.08 0.00 0.00 27.48 27.69 3ha4 h GLN 129 CO 0.02 0.83 0.03 1.15 0.09 0.00 0.00 178.83 180.95 3ha4 h THR 130 N 1.29 1.00 0.00 1.86 2.02 -1.56 -3.33 112.91 114.18 3ha4 h THR 130 Ca 0.39 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.55 3ha4 h THR 130 Cb -0.04 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 3ha4 h THR 130 CO -0.11 0.01 -1.77 -1.22 0.37 0.00 0.00 175.52 172.80 3ha4 n TYR 131 N -5.07 0.00 -4.03 3.16 4.01 -0.50 -4.87 117.16 109.86 3ha4 n TYR 131 Ca -0.06 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.34 3ha4 n TYR 131 Cb 0.04 -0.39 -0.15 0.00 -0.31 0.00 0.00 39.34 38.52 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 -3.29 2.59 0.06 -0.72 1.01 0.27 -4.76 120.40 115.56 3ha4 s VAL 132 Ca -0.05 -0.80 -0.24 0.00 0.00 0.00 0.00 61.98 60.89 3ha4 s VAL 132 Cb 0.13 -2.15 -0.17 0.00 0.00 0.00 0.00 36.38 34.19 3ha4 s VAL 132 CO 0.81 0.46 1.60 0.00 0.00 0.00 0.00 175.10 177.97 3ha4 h ALA 133 N 8.00 -0.01 -2.95 5.51 0.00 -1.85 -3.36 119.26 124.61 3ha4 h ALA 133 Ca -0.43 -0.07 -0.56 0.00 0.00 0.00 0.00 54.91 53.85 3ha4 h ALA 133 Cb 1.14 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.54 3ha4 h ALA 133 CO 0.62 -0.43 -0.77 0.34 0.00 0.00 0.00 179.25 179.00 3ha4 s ASP 134 N -5.33 3.74 0.09 0.00 2.15 -1.26 -5.03 116.67 111.03 3ha4 s ASP 134 Ca -0.14 -1.52 -0.33 0.00 0.43 0.00 0.00 52.55 50.98 3ha4 s ASP 134 Cb 0.05 -0.60 -0.15 0.00 -0.30 0.00 0.00 42.92 41.92 3ha4 s ASP 134 CO 0.66 -0.42 1.59 -0.65 -0.17 0.00 0.00 175.17 176.18 3ha4 h PRO 135 N 8.16 -0.82 -0.78 4.34 0.11 -1.93 -1.85 132.00 139.22 3ha4 h PRO 135 Ca -0.15 0.06 0.08 0.00 0.11 0.00 0.00 66.00 66.09 3ha4 h PRO 135 Cb 1.01 0.19 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 3ha4 h PRO 135 CO 0.45 -0.55 0.51 0.22 -0.21 0.00 0.00 178.00 178.42 3ha4 h ASP 136 N -0.85 0.70 -0.35 -2.05 3.58 -1.96 0.11 116.42 115.59 3ha4 h ASP 136 Ca -0.04 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.41 3ha4 h ASP 136 Cb 0.76 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.66 3ha4 h ASP 136 CO -0.08 0.44 0.15 -0.08 -2.88 0.00 0.00 179.24 176.78 3ha4 h GLU 137 N 0.79 0.51 0.23 0.28 4.81 -1.93 -1.12 114.58 118.15 3ha4 h GLU 137 Ca 0.35 -0.09 0.01 0.00 -0.13 0.00 0.00 59.36 59.49 3ha4 h GLU 137 Cb 0.33 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 3ha4 h GLU 137 CO -0.13 0.50 -0.27 1.98 -0.73 0.00 0.00 179.01 180.36 3ha4 h MET 138 N 0.42 -0.53 -1.03 1.92 4.05 -0.26 -1.47 114.93 118.02 3ha4 h MET 138 Ca 0.12 0.04 0.26 0.00 -0.28 0.00 0.00 59.70 59.83 3ha4 h MET 138 Cb 0.17 0.12 -0.10 0.00 -0.80 0.00 0.00 31.60 30.99 3ha4 h MET 138 CO -0.01 -0.35 0.65 -0.09 0.23 0.00 0.00 176.91 177.34 3ha4 h ARG 139 N -0.55 0.43 0.02 0.39 2.43 -0.66 -0.04 114.38 116.41 3ha4 h ARG 139 Ca 0.00 -0.03 -0.21 0.00 -0.81 0.00 0.00 59.98 58.94 3ha4 h ARG 139 Cb 0.53 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3ha4 h ARG 139 CO -0.09 0.29 -0.94 0.87 -1.51 0.00 0.00 179.97 178.59 3ha4 h LYS 140 N 0.44 0.18 -0.22 0.20 1.57 -0.68 -2.43 116.57 115.63 3ha4 h LYS 140 Ca 0.61 -0.22 -0.15 0.00 -1.87 0.00 0.00 60.65 59.03 3ha4 h LYS 140 Cb 1.44 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.82 3ha4 h LYS 140 CO -0.35 0.99 -0.44 0.93 -0.57 0.00 0.00 179.45 180.02 3ha4 h GLU 141 N 0.09 0.68 -0.26 3.15 5.08 -0.01 -1.35 114.58 121.96 3ha4 h GLU 141 Ca -0.05 -0.44 0.03 0.00 -1.00 0.00 0.00 59.36 57.89 3ha4 h GLU 141 Cb 1.60 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.88 3ha4 h GLU 141 CO 0.14 1.06 0.09 0.28 -1.00 0.00 0.00 179.01 179.58 3ha4 h VAL 142 N 0.39 0.94 -0.70 3.13 2.07 -1.29 -0.92 116.25 119.86 3ha4 h VAL 142 Ca 0.01 -0.07 0.09 0.00 0.82 0.00 0.00 66.70 67.55 3ha4 h VAL 142 Cb 1.04 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 31.45 3ha4 h VAL 142 CO 0.10 0.04 0.34 0.25 0.02 0.00 0.00 177.57 178.32 3ha4 h LEU 143 N 0.21 0.43 -0.52 2.57 5.85 -1.40 -1.83 115.31 120.63 3ha4 h LEU 143 Ca 0.11 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 3ha4 h LEU 143 Cb 0.08 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3ha4 h LEU 143 CO -0.12 0.25 0.18 0.24 -0.34 0.00 0.00 178.44 178.66 3ha4 h MET 144 N 0.58 0.79 0.16 1.25 2.86 -0.34 -1.48 114.93 118.74 3ha4 h MET 144 Ca 0.35 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 3ha4 h MET 144 Cb 0.37 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.91 3ha4 h MET 144 CO -0.27 0.71 -0.08 0.37 1.06 0.00 0.00 176.91 178.70 3ha4 h GLN 145 N 0.70 -0.20 -0.94 1.72 4.15 -0.98 -1.90 115.11 117.64 3ha4 h GLN 145 Ca 0.17 0.01 0.16 0.00 0.77 0.00 0.00 58.65 59.76 3ha4 h GLN 145 Cb 0.24 0.05 -0.10 0.00 0.21 0.00 0.00 27.48 27.88 3ha4 h GLN 145 CO -0.01 -0.02 0.55 -0.07 -1.93 0.00 0.00 178.83 177.35 3ha4 h LEU 146 N -0.35 0.73 -0.60 -2.39 3.38 -1.21 0.68 115.31 115.54 3ha4 h LEU 146 Ca -0.02 0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3ha4 h LEU 146 Cb 0.28 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3ha4 h LEU 146 CO 0.04 0.31 0.12 -0.07 0.09 0.00 0.00 178.44 178.93 3ha4 h LEU 147 N 0.77 0.93 -1.24 1.67 3.38 -1.15 0.69 115.31 120.37 3ha4 h LEU 147 Ca 0.51 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 58.28 3ha4 h LEU 147 Cb 0.70 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 3ha4 h LEU 147 CO -0.34 0.94 0.54 0.78 0.09 0.00 0.00 178.44 180.44 3ha4 h ASN 148 N 0.88 0.84 0.00 -0.43 2.35 -0.11 -1.16 115.58 117.95 3ha4 h ASN 148 Ca 0.19 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 3ha4 h ASN 148 Cb 0.39 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3ha4 h ASN 148 CO 0.01 0.56 -0.00 0.58 -1.65 0.00 0.00 177.43 176.93 3ha4 h VAL 149 N 0.97 1.63 -0.70 2.81 2.07 -0.31 1.31 116.25 124.02 3ha4 h VAL 149 Ca 0.34 -1.92 0.12 0.00 0.82 0.00 0.00 66.70 66.06 3ha4 h VAL 149 Cb 0.11 2.92 -0.08 0.00 -1.52 0.00 0.00 31.29 32.72 3ha4 h VAL 149 CO -0.11 0.49 0.28 0.50 0.02 0.00 0.00 177.57 178.76 3ha4 h LYS 150 N -0.83 0.44 -0.78 1.57 3.64 0.63 0.21 116.57 121.46 3ha4 h LYS 150 Ca -0.00 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.26 3ha4 h LYS 150 Cb 0.81 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.48 3ha4 h LYS 150 CO 0.00 0.29 0.12 0.66 -2.27 0.00 0.00 179.45 178.26 3ha4 n TYR 151 N -4.98 1.67 -2.17 1.91 4.01 -0.46 -4.89 117.16 112.25 3ha4 n TYR 151 Ca 0.12 -0.76 -0.19 0.00 -0.16 0.00 0.00 57.90 56.91 3ha4 n TYR 151 Cb 0.35 -0.49 -0.03 0.00 -0.31 0.00 0.00 39.34 38.86 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 0.15 0.14 0.00 2.72 0.00 0.06 -4.81 105.19 103.46 3ha4 n GLY 152 Ca 0.26 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.35 3ha4 n GLY 152 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3ha4 n ARG 153 N -2.78 0.14 -3.66 1.61 3.00 0.45 -4.72 116.66 110.71 3ha4 n ARG 153 Ca -0.22 0.17 -0.13 0.00 -0.00 0.00 0.00 57.85 57.68 3ha4 n ARG 153 Cb 0.66 -1.50 -0.08 0.00 0.00 0.00 0.00 32.46 31.54 3ha4 n ARG 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3ha4 s VAL 154 N -2.73 -0.00 0.27 5.15 0.11 -1.16 -4.98 120.40 117.05 3ha4 s VAL 154 Ca 0.12 0.01 0.06 0.00 -2.93 0.00 0.00 61.98 59.24 3ha4 s VAL 154 Cb 0.11 -0.87 -0.03 0.00 -1.53 0.00 0.00 36.38 34.06 3ha4 s VAL 154 CO 0.26 0.00 0.35 -0.44 -3.33 0.00 0.00 175.10 171.95 3ha4 s SER 155 N 0.57 6.07 -0.74 3.54 0.01 -1.26 -4.77 113.70 117.12 3ha4 s SER 155 Ca -0.02 -0.06 -0.02 0.00 1.31 0.00 0.00 55.95 57.16 3ha4 s SER 155 Cb -0.05 -1.61 -0.03 0.00 0.21 0.00 0.00 66.02 64.54 3ha4 s SER 155 CO -0.03 -0.15 0.67 0.47 0.41 0.00 0.00 173.24 174.61 3ha4 n ASP 156 N -1.42 -6.49 -4.75 2.44 9.92 -1.26 -4.72 116.55 110.26 3ha4 n ASP 156 Ca -0.07 -0.29 -0.41 0.00 -0.53 0.00 0.00 54.79 53.50 3ha4 n ASP 156 Cb 0.57 -4.58 -0.03 0.00 -0.64 0.00 0.00 41.12 36.44 3ha4 n ASP 156 CO 0.00 0.00 0.00 -2.84 0.13 0.00 0.00 177.20 174.49 3ha4 s PRO 157 N -3.50 4.44 0.24 -0.24 0.02 -1.26 -4.73 135.00 129.97 3ha4 s PRO 157 Ca 0.17 2.05 -0.03 0.00 0.02 0.00 0.00 61.00 63.21 3ha4 s PRO 157 Cb -0.02 -3.15 0.26 0.00 0.02 0.00 0.00 34.50 31.61 3ha4 s PRO 157 CO 0.63 -0.11 1.68 -0.91 -0.33 0.00 0.00 177.00 177.96 3ha4 h ASN 158 N 4.27 0.75 0.00 2.53 4.21 -1.93 -2.48 115.58 122.92 3ha4 h ASN 158 Ca -0.47 -0.23 0.00 0.00 1.21 0.00 0.00 56.30 56.81 3ha4 h ASN 158 Cb 1.22 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 38.22 3ha4 h ASN 158 CO 0.70 0.90 0.00 0.61 -1.29 0.00 0.00 177.43 178.36 3ha4 n GLY 159 N -0.39 -0.45 0.00 2.83 0.00 -1.26 -4.96 105.19 100.96 3ha4 n GLY 159 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.09 2.21 3.61 -0.02 0.00 -0.93 -4.95 105.19 105.01 3ha4 n GLY 160 Ca 0.11 -1.96 -0.53 0.00 0.00 0.00 0.00 46.02 43.63 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 1.20 1.11 -2.57 1.61 0.63 -1.26 -4.65 116.66 112.73 3ha4 n ARG 161 Ca 0.00 0.40 -0.41 0.00 -0.92 0.00 0.00 57.85 56.92 3ha4 n ARG 161 Cb 0.00 -2.05 -0.03 0.00 0.45 0.00 0.00 32.46 30.84 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 0.99 3.97 0.88 5.15 1.01 -1.26 -4.89 120.40 126.26 3ha4 s VAL 162 Ca 0.87 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 61.79 3ha4 s VAL 162 Cb -0.99 -5.07 0.20 0.00 0.00 0.00 0.00 36.38 30.52 3ha4 s VAL 162 CO 0.50 -1.94 1.20 -0.46 0.00 0.00 0.00 175.10 174.40 3ha4 n ASN 163 N 8.77 0.44 -0.25 3.32 0.23 -1.26 -4.73 115.26 121.78 3ha4 n ASN 163 Ca 0.35 -1.65 0.02 0.00 -0.53 0.00 0.00 54.58 52.78 3ha4 n ASN 163 Cb 0.50 -0.89 0.15 0.00 -2.08 0.00 0.00 39.78 37.46 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 0.55 -0.06 -3.83 3.11 -1.99 0.65 116.57 115.00 3ha4 h LYS 164 Ca -0.39 -0.03 0.02 0.00 -2.81 0.00 0.00 60.65 57.44 3ha4 h LYS 164 Cb 1.16 -0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 32.24 3ha4 h LYS 164 CO 0.31 0.37 -0.08 -0.44 -2.81 0.00 0.00 179.45 176.79 3ha4 h ASP 165 N 0.57 -0.26 -0.71 4.20 3.32 -1.98 -1.75 116.42 119.81 3ha4 h ASP 165 Ca 0.37 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.39 3ha4 h ASP 165 Cb 0.43 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.07 3ha4 h ASP 165 CO -0.30 -0.12 0.17 0.58 -1.72 0.00 0.00 179.24 177.85 3ha4 h VAL 166 N -0.12 1.26 -0.62 -1.35 2.07 -1.70 -2.72 116.25 113.08 3ha4 h VAL 166 Ca 0.06 -0.99 0.08 0.00 0.82 0.00 0.00 66.70 66.67 3ha4 h VAL 166 Cb 0.19 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 3ha4 h VAL 166 CO -0.13 0.38 0.28 -0.08 0.02 0.00 0.00 177.57 178.03 3ha4 h GLU 167 N 1.08 0.48 -0.75 1.57 4.81 -0.51 0.16 114.58 121.42 3ha4 h GLU 167 Ca 0.22 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.37 3ha4 h GLU 167 Cb 0.38 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 3ha4 h GLU 167 CO 0.00 0.32 0.24 0.93 -0.73 0.00 0.00 179.01 179.77 3ha4 h GLU 168 N 0.50 1.17 0.00 1.92 5.08 -1.02 0.55 114.58 122.77 3ha4 h GLU 168 Ca 0.30 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 3ha4 h GLU 168 Cb 0.31 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3ha4 h GLU 168 CO -0.26 0.99 -0.36 -0.84 -1.00 0.00 0.00 179.01 177.54 3ha4 h ILE 169 N 1.12 0.74 -0.14 3.13 3.07 -1.25 0.29 117.51 124.47 3ha4 h ILE 169 Ca 0.24 -1.60 -0.02 0.00 1.55 0.00 0.00 64.86 65.03 3ha4 h ILE 169 Cb 0.30 2.04 -0.01 0.00 -0.27 0.00 0.00 36.82 38.89 3ha4 h ILE 169 CO -0.01 0.35 0.03 0.40 -1.05 0.00 0.00 178.15 177.87 3ha4 h ILE 170 N 0.00 1.21 -0.80 0.16 2.04 -0.57 -1.51 117.51 118.04 3ha4 h ILE 170 Ca -0.00 -0.68 0.10 0.00 1.00 0.00 0.00 64.86 65.28 3ha4 h ILE 170 Cb 1.01 1.40 -0.08 0.00 -0.74 0.00 0.00 36.82 38.42 3ha4 h ILE 170 CO 0.05 0.20 0.44 0.28 0.00 0.00 0.00 178.15 179.12 3ha4 h SER 171 N 0.01 0.60 -0.12 1.72 0.02 -0.56 0.44 113.55 115.65 3ha4 h SER 171 Ca 0.04 0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 3ha4 h SER 171 Cb 0.29 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 3ha4 h SER 171 CO 0.00 0.33 -0.02 0.24 -1.14 0.00 0.00 176.83 176.24 3ha4 h MET 172 N 0.72 0.36 -0.01 3.45 2.86 -0.80 0.12 114.93 121.62 3ha4 h MET 172 Ca 0.40 -0.07 -0.11 0.00 -2.06 0.00 0.00 59.70 57.86 3ha4 h MET 172 Cb 0.41 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.02 3ha4 h MET 172 CO -0.27 0.41 -0.43 0.00 1.06 0.00 0.00 176.91 177.68 3ha4 h ALA 173 N 1.63 0.07 -0.69 6.32 0.00 -0.07 -1.73 119.26 124.79 3ha4 h ALA 173 Ca 0.08 -0.51 0.12 0.00 0.00 0.00 0.00 54.91 54.59 3ha4 h ALA 173 Cb 0.28 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.00 3ha4 h ALA 173 CO 0.01 0.23 0.27 0.28 0.00 0.00 0.00 179.25 180.05 3ha4 h VAL 174 N -0.25 0.72 0.25 0.00 2.07 0.19 -0.77 116.25 118.45 3ha4 h VAL 174 Ca -0.05 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3ha4 h VAL 174 Cb 1.15 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 3ha4 h VAL 174 CO 0.09 0.08 -0.12 0.44 0.02 0.00 0.00 177.57 178.08 3ha4 h ASP 175 N 0.45 -0.28 -0.86 0.57 3.45 -0.78 -1.52 116.42 117.44 3ha4 h ASP 175 Ca 0.37 -0.06 0.22 0.00 0.43 0.00 0.00 57.03 57.99 3ha4 h ASP 175 Cb 0.50 0.07 -0.15 0.00 -0.56 0.00 0.00 39.33 39.20 3ha4 h ASP 175 CO -0.35 -0.12 0.08 0.44 -1.57 0.00 0.00 179.24 177.71 3ha4 h ASP 176 N -0.43 -0.28 -0.13 6.45 3.32 -0.38 -1.79 116.42 123.19 3ha4 h ASP 176 Ca -0.03 0.22 -0.10 0.00 0.02 0.00 0.00 57.03 57.13 3ha4 h ASP 176 Cb 0.32 0.36 0.00 0.00 0.22 0.00 0.00 39.33 40.24 3ha4 h ASP 176 CO 0.06 -0.22 -0.32 -0.07 -1.72 0.00 0.00 179.24 176.97 3ha4 h LEU 177 N 0.11 0.51 -0.79 1.55 3.38 -0.97 -2.95 115.31 116.15 3ha4 h LEU 177 Ca 0.50 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3ha4 h LEU 177 Cb 0.98 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3ha4 h LEU 177 CO -0.73 1.00 0.00 -0.62 0.09 0.00 0.00 178.44 178.17 3ha4 n GLU 178 N -4.38 0.10 -0.21 1.13 1.02 -0.59 -2.15 120.64 115.56 3ha4 n GLU 178 Ca -0.07 0.53 0.09 0.00 -0.02 0.00 0.00 57.16 57.69 3ha4 n GLU 178 Cb 0.49 -1.78 0.18 0.00 -0.02 0.00 0.00 31.44 30.31 3ha4 n GLU 178 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3ha4 n ASN 179 N -1.97 2.72 0.00 1.62 3.02 -0.87 -5.09 115.26 114.68 3ha4 n ASN 179 Ca -0.00 -3.13 0.00 0.00 -0.03 0.00 0.00 54.58 51.42 3ha4 n ASN 179 Cb 0.07 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.77 3ha4 n ASN 179 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44