#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ptw n PRO 80 N 0.00 0.68 -0.24 0.38 -0.04 -1.26 -4.92 135.00 129.60 1ptw n PRO 80 Ca 0.00 0.27 -0.06 0.00 -0.04 0.00 0.00 63.50 63.67 1ptw n PRO 80 Cb 0.00 -1.93 -0.01 0.00 -0.04 0.00 0.00 33.50 31.52 1ptw n PRO 80 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1ptw h ARG 81 N 0.33 -0.15 -0.79 0.54 2.43 -2.01 -2.82 114.38 111.92 1ptw h ARG 81 Ca -0.47 0.01 -0.47 0.00 -0.81 0.00 0.00 59.98 58.24 1ptw h ARG 81 Cb 1.38 0.03 -0.26 0.00 -0.42 0.00 0.00 29.97 30.71 1ptw h ARG 81 CO 0.49 -0.10 0.35 1.19 -1.51 0.00 0.00 179.97 180.39 1ptw n PHE 82 N -5.43 2.51 0.00 2.20 3.72 -1.26 -4.94 117.46 114.27 1ptw n PHE 82 Ca 0.04 -2.12 0.00 0.00 -0.05 0.00 0.00 57.45 55.33 1ptw n PHE 82 Cb 0.36 -0.89 0.00 0.00 -0.94 0.00 0.00 39.48 38.01 1ptw n PHE 82 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ptw n GLY 83 N -1.04 2.42 3.66 1.37 0.00 -1.07 -4.40 105.19 106.13 1ptw n GLY 83 Ca 0.52 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 1ptw n GLY 83 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ptw s VAL 84 N -0.47 1.49 -0.03 1.61 1.01 -1.26 -4.69 120.40 118.06 1ptw s VAL 84 Ca 0.00 -2.00 -0.18 0.00 0.00 0.00 0.00 61.98 59.80 1ptw s VAL 84 Cb 0.00 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 1ptw s VAL 84 CO 0.00 0.00 0.50 -0.54 0.00 0.00 0.00 175.10 175.06 1ptw s LYS 85 N -3.79 4.20 -0.25 2.72 1.02 -1.26 -4.55 119.74 117.82 1ptw s LYS 85 Ca 0.22 0.56 -0.20 0.00 0.02 0.00 0.00 55.97 56.57 1ptw s LYS 85 Cb 0.06 -3.32 0.07 0.00 -0.52 0.00 0.00 37.83 34.11 1ptw s LYS 85 CO 0.11 0.43 0.64 -0.08 -0.92 0.00 0.00 175.35 175.54 1ptw s THR 86 N -0.32 -0.00 -0.90 2.17 -1.32 -1.26 -4.89 115.64 109.12 1ptw s THR 86 Ca 0.27 0.01 0.25 0.00 -1.21 0.00 0.00 61.69 61.01 1ptw s THR 86 Cb -0.17 -0.91 0.05 0.00 -1.51 0.00 0.00 72.50 69.97 1ptw s THR 86 CO 0.14 0.00 1.47 -1.84 -2.21 0.00 0.00 174.62 172.18 1ptw n GLU 87 N 3.17 0.08 -1.09 7.08 0.28 -1.26 -3.41 120.64 125.49 1ptw n GLU 87 Ca -0.16 0.03 -0.14 0.00 -0.16 0.00 0.00 57.16 56.73 1ptw n GLU 87 Cb 0.56 -1.55 0.24 0.00 1.43 0.00 0.00 31.44 32.12 1ptw n GLU 87 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1ptw n GLN 88 N -1.67 2.89 -0.34 3.44 1.13 -1.26 -4.71 117.38 116.86 1ptw n GLN 88 Ca 0.05 -3.06 0.21 0.00 -1.94 0.00 0.00 57.00 52.26 1ptw n GLN 88 Cb 0.36 -2.16 0.43 0.00 0.11 0.00 0.00 30.24 28.98 1ptw n GLN 88 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1ptw h GLU 89 N 1.76 0.46 0.22 -1.09 4.81 -1.90 -2.10 114.58 116.73 1ptw h GLU 89 Ca 0.43 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.64 1ptw h GLU 89 Cb 2.52 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 31.76 1ptw h GLU 89 CO 0.88 0.30 -0.46 -0.44 -0.73 0.00 0.00 179.01 178.56 1ptw h ASP 90 N 0.47 -1.35 -0.50 1.04 3.32 -1.91 0.59 116.42 118.09 1ptw h ASP 90 Ca 0.67 0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.83 1ptw h ASP 90 Cb 1.43 0.49 -0.03 0.00 0.22 0.00 0.00 39.33 41.44 1ptw h ASP 90 CO -0.49 -0.55 0.23 0.58 -1.72 0.00 0.00 179.24 177.29 1ptw h VAL 91 N -0.77 1.19 -0.64 -1.35 2.07 -1.79 -1.72 116.25 113.24 1ptw h VAL 91 Ca -0.01 -0.57 -0.06 0.00 0.82 0.00 0.00 66.70 66.88 1ptw h VAL 91 Cb 0.75 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1ptw h VAL 91 CO -0.20 0.23 0.17 0.25 0.02 0.00 0.00 177.57 178.04 1ptw h LEU 92 N 0.76 0.93 -0.60 2.57 6.46 -1.07 -0.98 115.31 123.38 1ptw h LEU 92 Ca 0.19 -0.18 -0.03 0.00 -0.12 0.00 0.00 57.88 57.74 1ptw h LEU 92 Cb 0.13 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 39.79 1ptw h LEU 92 CO -0.02 0.89 0.27 0.00 -0.62 0.00 0.00 178.44 178.96 1ptw h ALA 93 N 1.23 0.78 -0.10 1.25 0.00 -0.01 -0.69 119.26 121.72 1ptw h ALA 93 Ca 0.21 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 1ptw h ALA 93 Cb 0.31 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1ptw h ALA 93 CO -0.00 0.36 -0.62 0.87 0.00 0.00 0.00 179.25 179.86 1ptw h LYS 94 N 0.83 0.35 -0.17 0.00 1.79 -1.10 -3.11 116.57 115.15 1ptw h LYS 94 Ca 0.20 -0.24 -0.03 0.00 -2.18 0.00 0.00 60.65 58.40 1ptw h LYS 94 Cb 0.16 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 1ptw h LYS 94 CO -0.02 0.86 -0.01 0.93 -1.08 0.00 0.00 179.45 180.12 1ptw h GLU 95 N 0.26 0.31 0.00 3.15 4.39 -0.88 -2.78 114.58 119.03 1ptw h GLU 95 Ca -0.01 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1ptw h GLU 95 Cb 1.14 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1ptw h GLU 95 CO 0.10 0.54 0.00 1.28 -1.16 0.00 0.00 179.01 179.77 1ptw n LEU 96 N -4.71 0.00 0.20 1.33 4.77 -0.29 -1.88 117.00 116.42 1ptw n LEU 96 Ca -0.05 0.35 0.04 0.00 -0.03 0.00 0.00 56.01 56.32 1ptw n LEU 96 Cb 0.23 -0.35 0.40 0.00 -2.33 0.00 0.00 43.42 41.38 1ptw n LEU 96 CO 0.37 -0.26 0.75 -0.33 -1.33 0.00 0.00 177.39 176.58 1ptw h GLU 97 N 0.00 0.00 -0.83 3.23 5.08 -1.42 -2.41 114.58 118.22 1ptw h GLU 97 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ptw h GLU 97 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1ptw h GLU 97 CO 0.00 0.34 0.00 -0.25 -1.00 0.00 0.00 179.01 178.10 1ptw n ASP 98 N -3.95 2.66 0.31 1.42 8.00 -0.79 -4.36 116.55 119.85 1ptw n ASP 98 Ca -0.02 -2.32 0.18 0.00 0.71 0.00 0.00 54.79 53.34 1ptw n ASP 98 Cb 0.40 -0.56 1.04 0.00 -0.02 0.00 0.00 41.12 41.98 1ptw n ASP 98 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 1ptw h VAL 99 N 1.43 0.30 -0.53 2.53 3.04 -1.63 0.37 116.25 121.78 1ptw h VAL 99 Ca 0.00 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.66 1ptw h VAL 99 Cb 1.01 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 31.31 1ptw h VAL 99 CO 0.17 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.33 1ptw n ASN 100 N -3.51 3.14 -4.51 3.17 3.02 -1.26 -4.81 115.26 110.50 1ptw n ASN 100 Ca -0.03 -1.97 -0.31 0.00 -0.03 0.00 0.00 54.58 52.24 1ptw n ASN 100 Cb 0.09 -0.35 -0.12 0.00 -0.61 0.00 0.00 39.78 38.79 1ptw n ASN 100 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1ptw s LYS 101 N -1.30 2.20 0.03 3.52 1.02 0.12 -4.87 119.74 120.45 1ptw s LYS 101 Ca 0.39 -0.92 -0.30 0.00 0.02 0.00 0.00 55.97 55.16 1ptw s LYS 101 Cb 0.21 -2.28 -0.06 0.00 -0.52 0.00 0.00 37.83 35.18 1ptw s LYS 101 CO 0.28 0.55 1.31 -0.46 -0.92 0.00 0.00 175.35 176.11 1ptw s TRP 102 N -0.97 3.14 0.00 3.18 -0.11 -1.26 -3.25 118.94 119.66 1ptw s TRP 102 Ca 0.16 1.04 0.00 0.00 1.22 0.00 0.00 56.10 58.52 1ptw s TRP 102 Cb -0.11 -3.56 0.00 0.00 -1.50 0.00 0.00 33.47 28.30 1ptw s TRP 102 CO 0.07 -1.92 0.00 0.41 -4.62 0.00 0.00 176.95 170.88 1ptw n GLY 103 N 3.45 1.24 3.53 5.86 0.00 -1.26 -4.96 105.19 113.06 1ptw n GLY 103 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1ptw n GLY 103 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ptw n LEU 104 N 0.00 1.21 -3.93 0.99 7.94 -1.20 -4.80 117.00 117.20 1ptw n LEU 104 Ca 0.00 1.03 -0.42 0.00 -1.11 0.00 0.00 56.01 55.51 1ptw n LEU 104 Cb 0.00 -1.22 0.00 0.00 0.53 0.00 0.00 43.42 42.73 1ptw n LEU 104 CO 0.00 -2.07 2.39 1.41 -1.11 0.00 0.00 177.39 178.01 1ptw n HIS 105 N -0.42 3.70 -0.12 1.96 8.25 -1.26 -4.76 115.22 122.57 1ptw n HIS 105 Ca 0.11 -2.94 -0.01 0.00 -0.26 0.00 0.00 57.72 54.62 1ptw n HIS 105 Cb 0.37 -2.46 0.26 0.00 1.12 0.00 0.00 29.99 29.27 1ptw n HIS 105 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1ptw h VAL 106 N 4.26 1.19 -0.62 1.59 3.04 -1.99 -0.91 116.25 122.82 1ptw h VAL 106 Ca 0.51 -0.59 -0.09 0.00 -1.01 0.00 0.00 66.70 65.53 1ptw h VAL 106 Cb 0.69 0.52 -0.02 0.00 -2.01 0.00 0.00 31.29 30.46 1ptw h VAL 106 CO 1.74 0.24 0.05 -0.26 -1.01 0.00 0.00 177.57 178.33 1ptw h PHE 107 N 0.78 1.12 -0.52 3.17 0.04 -1.96 0.07 116.94 119.64 1ptw h PHE 107 Ca 0.19 -0.17 -0.10 0.00 2.80 0.00 0.00 57.97 60.69 1ptw h PHE 107 Cb 0.13 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 37.96 1ptw h PHE 107 CO 0.01 0.97 -0.08 -0.09 -0.60 0.00 0.00 178.31 178.52 1ptw h ARG 108 N 0.97 0.98 -0.13 1.51 9.65 -1.86 -1.71 114.38 123.79 1ptw h ARG 108 Ca 0.18 -0.35 -0.08 0.00 -1.10 0.00 0.00 59.98 58.63 1ptw h ARG 108 Cb 0.49 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.99 1ptw h ARG 108 CO 0.02 1.03 -0.27 0.82 2.80 0.00 0.00 179.97 184.36 1ptw h ILE 109 N 0.85 1.25 -0.64 1.20 2.04 -0.85 -0.55 117.51 120.80 1ptw h ILE 109 Ca 0.14 -1.16 -0.08 0.00 1.00 0.00 0.00 64.86 64.76 1ptw h ILE 109 Cb 0.64 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 1ptw h ILE 109 CO 0.04 0.35 0.08 0.00 0.00 0.00 0.00 178.15 178.62 1ptw h ALA 110 N 1.51 0.92 -0.09 1.87 0.00 -0.50 0.35 119.26 123.32 1ptw h ALA 110 Ca 0.03 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 1ptw h ALA 110 Cb 0.60 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1ptw h ALA 110 CO 0.04 0.66 -0.46 0.93 0.00 0.00 0.00 179.25 180.42 1ptw h GLU 111 N 1.00 0.48 -0.19 0.00 5.08 -0.84 0.44 114.58 120.55 1ptw h GLU 111 Ca 0.19 -0.39 -0.08 0.00 -1.00 0.00 0.00 59.36 58.08 1ptw h GLU 111 Cb 0.46 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1ptw h GLU 111 CO 0.02 1.02 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.73 1ptw h LEU 112 N 0.05 0.34 -0.10 1.33 3.38 -1.05 -2.65 115.31 116.61 1ptw h LEU 112 Ca -0.03 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1ptw h LEU 112 Cb 1.11 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1ptw h LEU 112 CO 0.10 0.59 -0.03 -1.54 0.09 0.00 0.00 178.44 177.64 1ptw n SER 113 N -4.15 0.18 -0.92 -0.43 3.41 0.10 -4.80 113.62 107.01 1ptw n SER 113 Ca -0.01 -0.53 -0.04 0.00 -0.26 0.00 0.00 58.87 58.04 1ptw n SER 113 Cb 0.37 -0.14 0.01 0.00 -0.26 0.00 0.00 64.21 64.19 1ptw n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ptw n GLY 114 N 1.21 0.61 2.16 5.00 0.00 -1.00 -3.55 105.19 109.62 1ptw n GLY 114 Ca 0.17 -0.56 -0.08 0.00 0.00 0.00 0.00 46.02 45.55 1ptw n GLY 114 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ptw n ASN 115 N 0.83 -2.99 -2.13 1.61 5.15 0.15 -4.96 115.26 112.92 1ptw n ASN 115 Ca -0.01 -0.01 -0.26 0.00 -0.60 0.00 0.00 54.58 53.71 1ptw n ASN 115 Cb 0.51 -2.28 0.02 0.00 -0.53 0.00 0.00 39.78 37.50 1ptw n ASN 115 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1ptw n ARG 116 N -1.81 3.49 -0.14 1.20 5.12 -1.23 -4.85 116.66 118.43 1ptw n ARG 116 Ca -0.10 -4.12 0.02 0.00 -1.93 0.00 0.00 57.85 51.72 1ptw n ARG 116 Cb 0.58 -2.28 0.32 0.00 -1.16 0.00 0.00 32.46 29.92 1ptw n ARG 116 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1ptw h PRO 117 N 2.24 0.81 -0.18 5.56 0.13 -1.82 -1.39 132.00 137.34 1ptw h PRO 117 Ca 0.39 -0.05 -0.19 0.00 -0.87 0.00 0.00 66.00 65.28 1ptw h PRO 117 Cb 1.35 -0.18 0.01 0.00 0.13 0.00 0.00 31.00 32.31 1ptw h PRO 117 CO 0.87 0.54 -0.61 1.25 -0.23 0.00 0.00 178.00 179.81 1ptw h LEU 118 N 0.83 0.85 -0.01 1.56 5.85 -1.89 -1.17 115.31 121.34 1ptw h LEU 118 Ca 0.24 -0.60 -0.00 0.00 0.84 0.00 0.00 57.88 58.36 1ptw h LEU 118 Cb -0.05 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.74 1ptw h LEU 118 CO -0.06 1.30 0.00 0.74 -0.34 0.00 0.00 178.44 180.09 1ptw h THR 119 N 0.44 1.21 -0.29 1.05 2.02 -1.77 -1.62 112.91 113.95 1ptw h THR 119 Ca -0.03 -0.62 -0.03 0.00 0.77 0.00 0.00 66.41 66.50 1ptw h THR 119 Cb 1.24 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 69.26 1ptw h THR 119 CO 0.13 0.16 0.06 0.58 0.37 0.00 0.00 175.52 176.83 1ptw h VAL 120 N -0.25 1.22 -0.50 3.16 2.07 -1.33 -0.58 116.25 120.05 1ptw h VAL 120 Ca 0.00 -0.74 -0.13 0.00 0.82 0.00 0.00 66.70 66.66 1ptw h VAL 120 Cb 0.27 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1ptw h VAL 120 CO 0.00 0.24 -0.19 0.40 0.02 0.00 0.00 177.57 178.04 1ptw h ILE 121 N 0.30 1.27 -0.38 4.57 2.04 -1.27 -0.84 117.51 123.20 1ptw h ILE 121 Ca 0.09 -1.35 -0.03 0.00 1.00 0.00 0.00 64.86 64.56 1ptw h ILE 121 Cb 0.30 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1ptw h ILE 121 CO 0.00 0.47 0.11 0.24 0.00 0.00 0.00 178.15 178.97 1ptw h MET 122 N 0.87 0.60 -0.41 2.37 2.86 -1.24 -0.98 114.93 119.00 1ptw h MET 122 Ca 0.12 -0.14 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1ptw h MET 122 Cb 0.76 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.31 1ptw h MET 122 CO 0.06 0.62 0.24 1.25 1.06 0.00 0.00 176.91 180.15 1ptw h HIS 123 N 0.47 0.46 -0.25 -0.22 -0.00 -0.96 0.41 115.15 115.05 1ptw h HIS 123 Ca 0.12 0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.51 1ptw h HIS 123 Cb 0.28 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 27.53 1ptw h HIS 123 CO 0.01 0.26 0.15 1.15 -0.00 0.00 0.00 177.93 179.50 1ptw h THR 124 N 0.49 1.04 -0.48 6.26 2.02 -0.94 -1.11 112.91 120.19 1ptw h THR 124 Ca 0.16 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.22 1ptw h THR 124 Cb 0.01 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1ptw h THR 124 CO -0.08 0.06 0.20 0.40 0.37 0.00 0.00 175.52 176.47 1ptw h ILE 125 N 0.30 1.20 -0.75 3.11 2.04 -0.83 0.13 117.51 122.71 1ptw h ILE 125 Ca 0.09 -0.61 -0.04 0.00 1.00 0.00 0.00 64.86 65.30 1ptw h ILE 125 Cb -0.01 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 1ptw h ILE 125 CO -0.04 0.23 0.30 -0.26 0.00 0.00 0.00 178.15 178.38 1ptw h PHE 126 N 0.63 1.12 -0.09 1.37 -1.00 -0.72 0.10 116.94 118.36 1ptw h PHE 126 Ca 0.16 -0.08 -0.03 0.00 2.81 0.00 0.00 57.97 60.83 1ptw h PHE 126 Cb 0.17 -0.34 -0.00 0.00 3.61 0.00 0.00 35.95 39.39 1ptw h PHE 126 CO 0.00 0.85 -0.07 1.96 -1.61 0.00 0.00 178.31 179.44 1ptw h GLN 127 N 1.08 0.21 -0.83 1.51 1.08 -0.95 0.57 115.11 117.78 1ptw h GLN 127 Ca 0.25 -0.10 0.06 0.00 -1.45 0.00 0.00 58.65 57.41 1ptw h GLN 127 Cb 0.20 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.57 1ptw h GLN 127 CO -0.02 0.61 0.51 1.49 -0.95 0.00 0.00 178.83 180.47 1ptw h GLU 128 N -0.19 0.92 -0.17 1.46 4.81 -0.56 -1.59 114.58 119.25 1ptw h GLU 128 Ca 0.02 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1ptw h GLU 128 Cb 0.56 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1ptw h GLU 128 CO 0.02 0.61 0.00 0.54 -0.73 0.00 0.00 179.01 179.45 1ptw n ARG 129 N -4.63 1.68 -3.24 1.92 1.74 0.33 -4.92 116.66 109.53 1ptw n ARG 129 Ca 0.12 -1.02 -0.23 0.00 -0.77 0.00 0.00 57.85 55.94 1ptw n ARG 129 Cb 0.16 -1.37 0.02 0.00 -1.02 0.00 0.00 32.46 30.26 1ptw n ARG 129 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ptw n ASP 130 N 0.25 -5.14 0.05 0.55 2.03 -0.60 -4.90 116.55 108.79 1ptw n ASP 130 Ca 0.15 -0.37 -0.07 0.00 0.52 0.00 0.00 54.79 55.02 1ptw n ASP 130 Cb 0.30 -4.17 0.09 0.00 -0.72 0.00 0.00 41.12 36.62 1ptw n ASP 130 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1ptw h LEU 131 N -1.35 0.45 -0.79 -2.67 3.38 -1.19 -2.39 115.31 110.76 1ptw h LEU 131 Ca -0.50 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.24 1ptw h LEU 131 Cb 1.34 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 1ptw h LEU 131 CO 0.56 0.93 0.52 -0.07 0.09 0.00 0.00 178.44 180.47 1ptw h LEU 132 N 0.30 0.88 -0.07 1.67 4.07 -1.87 -0.39 115.31 119.88 1ptw h LEU 132 Ca -0.00 -0.01 -0.13 0.00 0.08 0.00 0.00 57.88 57.81 1ptw h LEU 132 Cb 1.11 -0.21 0.01 0.00 1.08 0.00 0.00 40.66 42.65 1ptw h LEU 132 CO 0.10 0.62 -0.46 0.50 -1.08 0.00 0.00 178.44 178.12 1ptw h LYS 133 N 1.03 0.44 -0.90 1.13 3.64 -1.85 0.31 116.57 120.37 1ptw h LYS 133 Ca 0.30 -0.38 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1ptw h LYS 133 Cb -0.06 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 1ptw h LYS 133 CO -0.09 1.02 0.55 1.15 -2.27 0.00 0.00 179.45 179.81 1ptw h THR 134 N -0.01 1.25 -0.36 1.00 2.02 -1.24 -2.92 112.91 112.65 1ptw h THR 134 Ca -0.04 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.61 1ptw h THR 134 Cb 1.12 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1ptw h THR 134 CO 0.09 0.26 0.00 0.49 0.37 0.00 0.00 175.52 176.73 1ptw n PHE 135 N -4.40 1.16 -4.09 3.16 3.72 -0.17 -4.97 117.46 111.87 1ptw n PHE 135 Ca 0.10 -0.79 -0.28 0.00 -0.05 0.00 0.00 57.45 56.42 1ptw n PHE 135 Cb 0.05 -0.32 -0.05 0.00 -0.94 0.00 0.00 39.48 38.23 1ptw n PHE 135 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1ptw n LYS 136 N -0.06 -2.24 -3.09 -1.08 5.02 -0.02 -4.57 118.16 112.11 1ptw n LYS 136 Ca 0.22 0.27 -0.41 0.00 -2.02 0.00 0.00 58.31 56.38 1ptw n LYS 136 Cb 0.91 -4.09 -0.06 0.00 -0.02 0.00 0.00 35.03 31.76 1ptw n LYS 136 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ptw s ILE 137 N -4.10 4.96 0.36 -0.18 1.01 0.89 -4.66 121.20 119.48 1ptw s ILE 137 Ca 0.03 1.14 -0.28 0.00 0.00 0.00 0.00 60.65 61.54 1ptw s ILE 137 Cb -0.01 -3.96 -0.10 0.00 0.01 0.00 0.00 42.46 38.40 1ptw s ILE 137 CO 0.93 -0.00 1.31 -2.16 0.00 0.00 0.00 174.94 175.02 1ptw s PRO 138 N 2.55 4.19 0.14 2.79 0.04 -1.26 -4.77 135.00 138.67 1ptw s PRO 138 Ca 0.27 2.20 -0.18 0.00 0.04 0.00 0.00 61.00 63.33 1ptw s PRO 138 Cb -0.15 -2.93 0.01 0.00 0.04 0.00 0.00 34.50 31.46 1ptw s PRO 138 CO 0.09 -0.32 1.76 -0.39 0.04 0.00 0.00 177.00 178.17 1ptw h VAL 139 N 2.79 0.95 -0.29 -0.36 -1.51 -1.96 -1.26 116.25 114.60 1ptw h VAL 139 Ca -0.49 -0.09 -0.04 0.00 -1.23 0.00 0.00 66.70 64.85 1ptw h VAL 139 Cb 1.23 0.67 -0.02 0.00 -2.13 0.00 0.00 31.29 31.05 1ptw h VAL 139 CO 0.64 0.05 0.02 -2.24 -1.23 0.00 0.00 177.57 174.81 1ptw h ASP 140 N 0.25 0.40 -0.32 4.19 -0.00 -1.96 -1.04 116.42 117.95 1ptw h ASP 140 Ca 0.13 -0.06 -0.15 0.00 -0.00 0.00 0.00 57.03 56.94 1ptw h ASP 140 Cb 0.08 -0.10 -0.01 0.00 -0.00 0.00 0.00 39.33 39.30 1ptw h ASP 140 CO -0.11 0.45 -0.38 0.74 -0.00 0.00 0.00 179.24 179.94 1ptw h THR 141 N 0.42 1.28 -0.01 1.15 2.02 -1.61 -1.14 112.91 115.03 1ptw h THR 141 Ca 0.10 -1.55 -0.00 0.00 0.77 0.00 0.00 66.41 65.73 1ptw h THR 141 Cb 0.25 1.39 -0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1ptw h THR 141 CO 0.00 0.51 0.00 0.25 0.37 0.00 0.00 175.52 176.66 1ptw h LEU 142 N 0.71 0.01 -0.32 2.58 5.85 -0.57 -0.34 115.31 123.23 1ptw h LEU 142 Ca 0.06 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1ptw h LEU 142 Cb 0.95 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 1ptw h LEU 142 CO 0.09 0.19 0.15 0.40 -0.34 0.00 0.00 178.44 178.93 1ptw h ILE 143 N -0.18 1.16 -0.24 4.05 2.04 -1.23 0.91 117.51 124.02 1ptw h ILE 143 Ca 0.00 -0.48 0.03 0.00 1.00 0.00 0.00 64.86 65.42 1ptw h ILE 143 Cb 0.19 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 1ptw h ILE 143 CO -0.00 0.17 0.04 0.74 0.00 0.00 0.00 178.15 179.11 1ptw h THR 144 N 0.38 0.88 -0.01 -0.27 2.02 -1.13 0.13 112.91 114.92 1ptw h THR 144 Ca 0.11 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.25 1ptw h THR 144 Cb 0.14 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1ptw h THR 144 CO -0.01 0.02 -0.02 0.22 0.37 0.00 0.00 175.52 176.11 1ptw h TYR 145 N 0.13 -0.04 -0.60 3.16 3.20 -0.90 -1.39 116.97 120.54 1ptw h TYR 145 Ca 0.11 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.05 1ptw h TYR 145 Cb 0.11 0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.35 1ptw h TYR 145 CO -0.16 -0.03 0.30 -0.07 -1.64 0.00 0.00 178.16 176.56 1ptw h LEU 146 N -0.03 0.41 -0.89 2.82 3.38 -0.39 0.24 115.31 120.85 1ptw h LEU 146 Ca 0.01 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1ptw h LEU 146 Cb 0.04 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1ptw h LEU 146 CO -0.02 0.26 0.01 0.24 0.09 0.00 0.00 178.44 179.02 1ptw h MET 147 N 0.55 0.83 -0.19 1.13 2.86 -0.85 0.02 114.93 119.28 1ptw h MET 147 Ca 0.28 -0.23 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 1ptw h MET 147 Cb 0.22 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1ptw h MET 147 CO -0.21 0.83 0.01 1.15 1.06 0.00 0.00 176.91 179.76 1ptw h THR 148 N 0.78 1.24 -0.10 2.22 2.02 -0.09 0.11 112.91 119.09 1ptw h THR 148 Ca 0.15 -0.81 0.01 0.00 0.77 0.00 0.00 66.41 66.53 1ptw h THR 148 Cb 0.45 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 1ptw h THR 148 CO 0.02 0.25 0.03 0.25 0.37 0.00 0.00 175.52 176.44 1ptw h LEU 149 N 0.10 0.04 -0.76 2.58 5.85 -0.38 -2.26 115.31 120.49 1ptw h LEU 149 Ca 0.06 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.80 1ptw h LEU 149 Cb 0.36 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 1ptw h LEU 149 CO 0.01 0.04 0.49 -0.08 -0.34 0.00 0.00 178.44 178.56 1ptw h GLU 150 N 0.08 0.96 -0.21 1.25 4.81 -0.87 -0.94 114.58 119.66 1ptw h GLU 150 Ca 0.04 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.27 1ptw h GLU 150 Cb 0.02 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 1ptw h GLU 150 CO -0.04 0.64 0.20 -0.44 -0.73 0.00 0.00 179.01 178.64 1ptw h ASP 151 N 0.99 0.00 -0.15 1.04 3.45 -0.37 -1.63 116.42 119.76 1ptw h ASP 151 Ca 0.29 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.75 1ptw h ASP 151 Cb -0.07 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.70 1ptw h ASP 151 CO -0.08 0.00 0.00 1.41 -1.57 0.00 0.00 179.24 179.00 1ptw n HIS 152 N -3.95 0.19 -3.51 4.55 8.25 -0.36 -4.74 115.22 115.64 1ptw n HIS 152 Ca 0.02 -0.09 -0.36 0.00 -0.26 0.00 0.00 57.72 57.03 1ptw n HIS 152 Cb 0.34 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.39 1ptw n HIS 152 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1ptw s TYR 153 N -1.81 3.63 -0.14 4.41 1.51 -0.61 -1.28 117.35 123.05 1ptw s TYR 153 Ca 0.32 0.90 -0.29 0.00 -1.01 0.00 0.00 57.07 57.00 1ptw s TYR 153 Cb 0.17 -2.24 -0.01 0.00 -0.11 0.00 0.00 41.96 39.78 1ptw s TYR 153 CO 0.26 0.53 0.99 -1.01 -1.11 0.00 0.00 175.55 175.21 1ptw s HIS 154 N -1.33 3.46 -0.97 2.71 3.76 -1.26 -4.81 115.29 116.85 1ptw s HIS 154 Ca 0.32 1.52 0.16 0.00 -0.15 0.00 0.00 55.06 56.90 1ptw s HIS 154 Cb -0.15 -3.18 0.68 0.00 1.11 0.00 0.00 32.58 31.04 1ptw s HIS 154 CO 0.17 -0.28 1.51 0.00 -0.85 0.00 0.00 174.74 175.29 1ptw n ALA 155 N 5.32 1.71 0.70 -1.40 0.00 -1.26 -2.65 120.51 122.92 1ptw n ALA 155 Ca 0.09 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.60 1ptw n ALA 155 Cb 0.48 -1.26 0.15 0.00 0.00 0.00 0.00 19.45 18.82 1ptw n ALA 155 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ptw n ASP 156 N -1.54 3.19 -4.57 0.00 5.75 -1.26 -4.86 116.55 113.26 1ptw n ASP 156 Ca 0.04 -1.99 -0.40 0.00 -0.01 0.00 0.00 54.79 52.43 1ptw n ASP 156 Cb 0.18 -0.11 -0.09 0.00 -1.03 0.00 0.00 41.12 40.07 1ptw n ASP 156 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1ptw s VAL 157 N -1.77 5.19 0.46 2.12 1.01 -1.08 -4.98 120.40 121.35 1ptw s VAL 157 Ca 0.32 0.26 0.12 0.00 0.00 0.00 0.00 61.98 62.69 1ptw s VAL 157 Cb 0.21 -3.73 0.28 0.00 0.00 0.00 0.00 36.38 33.15 1ptw s VAL 157 CO 0.31 0.06 2.08 0.00 0.00 0.00 0.00 175.10 177.54 1ptw h ALA 158 N 8.34 1.91 0.00 5.51 0.00 -1.88 -3.39 119.26 129.74 1ptw h ALA 158 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1ptw h ALA 158 Cb 1.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1ptw h ALA 158 CO 0.65 0.06 -0.25 0.98 0.00 0.00 0.00 179.25 180.70 1ptw n TYR 159 N -4.49 0.00 -1.02 0.00 9.36 -1.26 -4.71 117.16 115.03 1ptw n TYR 159 Ca 0.02 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 60.92 1ptw n TYR 159 Cb 0.14 -0.12 -0.03 0.00 -0.63 0.00 0.00 39.34 38.70 1ptw n TYR 159 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1ptw n HIS 160 N -3.68 1.87 -4.10 2.98 8.25 -1.26 -4.29 115.22 114.99 1ptw n HIS 160 Ca -0.03 -2.23 -0.04 0.00 -0.26 0.00 0.00 57.72 55.16 1ptw n HIS 160 Cb 0.13 -1.91 -0.01 0.00 1.12 0.00 0.00 29.99 29.32 1ptw n HIS 160 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1ptw n ASN 161 N 4.99 2.11 0.31 0.41 0.23 -1.26 -4.52 115.26 117.53 1ptw n ASN 161 Ca 0.52 -1.29 0.19 0.00 -0.53 0.00 0.00 54.58 53.48 1ptw n ASN 161 Cb 0.23 0.05 1.03 0.00 -2.08 0.00 0.00 39.78 39.01 1ptw n ASN 161 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1ptw h ASN 162 N 0.16 0.00 0.36 0.53 -1.07 -1.87 -0.95 115.58 112.74 1ptw h ASN 162 Ca -0.05 0.00 -0.24 0.00 0.07 0.00 0.00 56.30 56.07 1ptw h ASN 162 Cb 0.16 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.42 1ptw h ASN 162 CO 0.09 0.02 -1.02 0.40 0.07 0.00 0.00 177.43 176.98 1ptw h ILE 163 N 0.00 1.40 -0.21 6.14 2.04 -1.95 -0.60 117.51 124.33 1ptw h ILE 163 Ca -0.00 -2.55 -0.08 0.00 1.00 0.00 0.00 64.86 63.24 1ptw h ILE 163 Cb 0.09 2.53 -0.00 0.00 -0.74 0.00 0.00 36.82 38.70 1ptw h ILE 163 CO 0.00 0.76 -0.18 -0.74 0.00 0.00 0.00 178.15 177.99 1ptw h HIS 164 N 0.21 0.57 -0.57 1.37 2.76 -1.50 0.75 115.15 118.76 1ptw h HIS 164 Ca -0.10 -0.17 0.05 0.00 -2.20 0.00 0.00 60.37 57.96 1ptw h HIS 164 Cb 1.68 -0.12 -0.05 0.00 1.55 0.00 0.00 27.41 30.47 1ptw h HIS 164 CO 0.07 0.82 0.29 0.00 -1.30 0.00 0.00 177.93 177.81 1ptw h ALA 165 N 0.66 0.74 -0.46 5.26 0.00 -1.19 0.90 119.26 125.17 1ptw h ALA 165 Ca 0.04 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1ptw h ALA 165 Cb 0.71 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1ptw h ALA 165 CO 0.05 -0.06 0.10 0.00 0.00 0.00 0.00 179.25 179.34 1ptw h ALA 166 N 1.31 0.61 0.18 0.00 0.00 -0.90 -1.57 119.26 118.88 1ptw h ALA 166 Ca 0.25 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ptw h ALA 166 Cb 0.17 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ptw h ALA 166 CO -0.18 0.30 -0.14 0.22 0.00 0.00 0.00 179.25 179.45 1ptw h ASP 167 N 0.62 -0.36 -0.67 0.00 3.58 -0.16 -1.19 116.42 118.24 1ptw h ASP 167 Ca 0.14 0.03 0.02 0.00 0.42 0.00 0.00 57.03 57.64 1ptw h ASP 167 Cb 0.34 0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.47 1ptw h ASP 167 CO 0.00 -0.22 0.44 0.58 -2.88 0.00 0.00 179.24 177.17 1ptw h VAL 168 N -0.33 1.14 -0.06 2.25 2.07 -0.76 0.10 116.25 120.67 1ptw h VAL 168 Ca -0.01 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1ptw h VAL 168 Cb 0.29 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1ptw h VAL 168 CO -0.01 0.16 0.01 0.58 0.02 0.00 0.00 177.57 178.33 1ptw h VAL 169 N 0.87 1.21 -0.21 2.57 2.07 -0.98 -0.91 116.25 120.87 1ptw h VAL 169 Ca 0.25 -0.65 -0.06 0.00 0.82 0.00 0.00 66.70 67.06 1ptw h VAL 169 Cb -0.04 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1ptw h VAL 169 CO -0.06 0.18 -0.14 -0.61 0.02 0.00 0.00 177.57 176.96 1ptw h GLN 170 N -0.15 0.35 -0.25 1.57 -0.00 -0.70 -0.50 115.11 115.43 1ptw h GLN 170 Ca 0.02 -0.09 -0.18 0.00 -0.00 0.00 0.00 58.65 58.40 1ptw h GLN 170 Cb 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.72 1ptw h GLN 170 CO 0.00 0.49 -0.54 0.77 0.00 0.00 0.00 178.83 179.56 1ptw h SER 171 N 0.33 0.90 -0.79 -0.69 0.02 -0.69 -2.14 113.55 110.49 1ptw h SER 171 Ca 0.06 -0.55 -0.04 0.00 -0.84 0.00 0.00 61.79 60.43 1ptw h SER 171 Cb 0.45 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 1ptw h SER 171 CO 0.03 1.29 0.35 0.74 -1.14 0.00 0.00 176.83 178.10 1ptw h THR 172 N 0.55 1.25 -0.83 -2.27 2.02 -0.79 -0.66 112.91 112.20 1ptw h THR 172 Ca 0.00 -0.75 -0.00 0.00 0.77 0.00 0.00 66.41 66.43 1ptw h THR 172 Cb 1.15 0.26 -0.04 0.00 -1.74 0.00 0.00 68.15 67.78 1ptw h THR 172 CO 0.12 0.31 0.50 -0.74 0.37 0.00 0.00 175.52 176.08 1ptw h HIS 173 N 1.14 1.08 -0.07 3.16 -0.00 -0.91 0.58 115.15 120.14 1ptw h HIS 173 Ca 0.27 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.61 1ptw h HIS 173 Cb 0.15 -0.36 -0.00 0.00 -0.00 0.00 0.00 27.41 27.21 1ptw h HIS 173 CO 0.02 0.72 -0.06 0.28 -0.00 0.00 0.00 177.93 178.88 1ptw h VAL 174 N 1.14 1.37 -0.87 5.26 2.07 -0.75 -3.02 116.25 121.45 1ptw h VAL 174 Ca 0.30 -1.21 0.08 0.00 0.82 0.00 0.00 66.70 66.68 1ptw h VAL 174 Cb -0.05 2.03 -0.06 0.00 -1.52 0.00 0.00 31.29 31.69 1ptw h VAL 174 CO -0.06 0.33 0.56 -0.07 0.02 0.00 0.00 177.57 178.36 1ptw h LEU 175 N -0.27 0.82 -1.68 2.57 3.38 -0.76 -0.52 115.31 118.85 1ptw h LEU 175 Ca 0.01 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1ptw h LEU 175 Cb 0.57 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1ptw h LEU 175 CO 0.02 0.52 -0.19 -0.07 0.09 0.00 0.00 178.44 178.80 1ptw h LEU 176 N 0.93 0.00 -0.75 1.67 3.38 -0.87 -2.78 115.31 116.88 1ptw h LEU 176 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1ptw h LEU 176 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1ptw h LEU 176 CO -0.15 0.19 0.00 -1.20 0.09 0.00 0.00 178.44 177.37 1ptw n SER 177 N -3.94 1.17 -4.72 -0.43 7.64 -0.21 -4.75 113.62 108.37 1ptw n SER 177 Ca -0.02 -1.41 -0.42 0.00 1.01 0.00 0.00 58.87 58.03 1ptw n SER 177 Cb 0.28 -0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.46 1ptw n SER 177 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1ptw n THR 178 N -0.08 1.83 -0.19 0.44 5.66 -1.05 -4.88 114.28 116.01 1ptw n THR 178 Ca 0.20 -0.46 -0.00 0.00 -3.05 0.00 0.00 64.05 60.74 1ptw n THR 178 Cb 0.30 -1.67 0.08 0.00 -1.55 0.00 0.00 70.33 67.48 1ptw n THR 178 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 1ptw h PRO 179 N 2.96 0.08 0.00 1.09 0.11 -1.92 -1.22 132.00 133.10 1ptw h PRO 179 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ptw h PRO 179 Cb 1.27 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1ptw h PRO 179 CO 0.65 0.05 0.08 0.00 -0.21 0.00 0.00 178.00 178.57 1ptw n ALA 180 N -2.82 0.91 -0.50 -0.75 0.00 -1.26 -1.21 120.51 114.87 1ptw n ALA 180 Ca 0.07 0.13 0.06 0.00 0.00 0.00 0.00 53.44 53.70 1ptw n ALA 180 Cb 0.32 -1.09 0.13 0.00 0.00 0.00 0.00 19.45 18.82 1ptw n ALA 180 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ptw n LEU 181 N -2.01 2.79 -4.71 0.00 4.77 -0.47 -1.92 117.00 115.46 1ptw n LEU 181 Ca -0.01 -2.46 -0.42 0.00 -0.03 0.00 0.00 56.01 53.09 1ptw n LEU 181 Cb 0.10 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 40.88 1ptw n LEU 181 CO 0.06 0.65 1.40 -0.70 -1.33 0.00 0.00 177.39 177.47 1ptw s GLU 182 N -1.81 4.14 -0.35 3.23 2.12 -0.35 -2.00 118.70 123.67 1ptw s GLU 182 Ca 0.23 2.58 0.00 0.00 0.36 0.00 0.00 54.97 58.15 1ptw s GLU 182 Cb 0.17 -3.26 0.00 0.00 0.26 0.00 0.00 34.13 31.30 1ptw s GLU 182 CO 0.07 -0.77 0.00 0.00 -0.54 0.00 0.00 175.26 174.02 1ptw n ALA 183 N 4.59 -0.05 0.06 6.30 0.00 -1.26 -4.85 120.51 125.29 1ptw n ALA 183 Ca 0.16 0.05 -0.21 0.00 0.00 0.00 0.00 53.44 53.45 1ptw n ALA 183 Cb 0.36 -1.47 -0.12 0.00 0.00 0.00 0.00 19.45 18.23 1ptw n ALA 183 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ptw h VAL 184 N 0.00 1.30 -2.82 0.00 2.07 -1.76 -3.45 116.25 111.59 1ptw h VAL 184 Ca -0.07 -2.31 -0.66 0.00 0.82 0.00 0.00 66.70 64.48 1ptw h VAL 184 Cb 0.97 2.54 -0.08 0.00 -1.52 0.00 0.00 31.29 33.21 1ptw h VAL 184 CO 0.10 0.70 -0.51 -0.36 0.02 0.00 0.00 177.57 177.52 1ptw s PHE 185 N -3.16 3.50 0.91 1.57 0.08 -1.26 -5.01 117.98 114.61 1ptw s PHE 185 Ca -0.10 0.40 -0.13 0.00 0.12 0.00 0.00 56.93 57.23 1ptw s PHE 185 Cb 0.06 -1.87 0.14 0.00 -0.57 0.00 0.00 43.02 40.78 1ptw s PHE 185 CO 0.91 0.66 1.15 0.95 -0.10 0.00 0.00 175.22 178.79 1ptw s THR 186 N -1.11 1.99 0.34 0.64 -4.23 -1.26 -4.84 115.64 107.16 1ptw s THR 186 Ca 0.19 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.78 1ptw s THR 186 Cb -0.12 -2.78 0.10 0.00 1.34 0.00 0.00 72.50 71.04 1ptw s THR 186 CO 0.09 0.00 1.80 0.44 -0.54 0.00 0.00 174.62 176.41 1ptw h ASP 187 N -1.49 0.25 0.34 3.99 3.32 -1.99 -1.09 116.42 119.76 1ptw h ASP 187 Ca -0.50 -0.08 -0.13 0.00 0.02 0.00 0.00 57.03 56.35 1ptw h ASP 187 Cb 1.33 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 1ptw h ASP 187 CO 0.60 0.52 -0.52 0.25 -1.72 0.00 0.00 179.24 178.37 1ptw h LEU 188 N 0.23 0.22 -0.21 1.55 5.85 -1.99 0.97 115.31 121.94 1ptw h LEU 188 Ca 0.04 -0.11 -0.22 0.00 0.84 0.00 0.00 57.88 58.42 1ptw h LEU 188 Cb 0.59 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.56 1ptw h LEU 188 CO 0.04 0.71 -0.90 -0.33 -0.34 0.00 0.00 178.44 177.62 1ptw h GLU 189 N 0.16 0.42 -0.35 1.25 5.08 -1.82 -1.89 114.58 117.44 1ptw h GLU 189 Ca 0.00 -0.43 -0.06 0.00 -1.00 0.00 0.00 59.36 57.87 1ptw h GLU 189 Cb 0.98 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1ptw h GLU 189 CO 0.08 1.09 -0.01 0.82 -1.00 0.00 0.00 179.01 179.99 1ptw h ILE 190 N 0.25 1.26 -0.70 3.13 2.04 -0.91 -1.07 117.51 121.50 1ptw h ILE 190 Ca -0.07 -0.99 -0.00 0.00 1.00 0.00 0.00 64.86 64.80 1ptw h ILE 190 Cb 1.53 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 38.79 1ptw h ILE 190 CO 0.16 0.33 0.42 0.25 0.00 0.00 0.00 178.15 179.30 1ptw h LEU 191 N 0.43 0.85 -0.25 1.44 5.85 -0.81 -1.53 115.31 121.28 1ptw h LEU 191 Ca 0.10 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1ptw h LEU 191 Cb 0.46 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1ptw h LEU 191 CO 0.02 0.67 0.13 0.00 -0.34 0.00 0.00 178.44 178.91 1ptw h ALA 192 N 1.22 0.32 -0.71 1.25 0.00 -1.12 0.19 119.26 120.40 1ptw h ALA 192 Ca 0.25 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1ptw h ALA 192 Cb -0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1ptw h ALA 192 CO -0.05 -0.13 0.22 0.00 0.00 0.00 0.00 179.25 179.29 1ptw h ALA 193 N 1.00 1.05 -0.06 0.00 0.00 -0.91 0.27 119.26 120.61 1ptw h ALA 193 Ca 0.09 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1ptw h ALA 193 Cb 0.09 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1ptw h ALA 193 CO -0.01 0.64 -0.17 0.82 0.00 0.00 0.00 179.25 180.54 1ptw h ILE 194 N 1.06 1.44 -0.43 0.00 2.04 -1.17 -1.85 117.51 118.59 1ptw h ILE 194 Ca 0.23 -1.54 0.01 0.00 1.00 0.00 0.00 64.86 64.56 1ptw h ILE 194 Cb 0.29 2.30 -0.02 0.00 -0.74 0.00 0.00 36.82 38.65 1ptw h ILE 194 CO -0.01 0.43 0.27 0.15 0.00 0.00 0.00 178.15 178.99 1ptw h PHE 195 N -0.30 0.52 -0.87 1.37 3.57 -0.47 -1.52 116.94 119.24 1ptw h PHE 195 Ca -0.00 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.59 1ptw h PHE 195 Cb 0.78 -0.17 -0.07 0.00 2.79 0.00 0.00 35.95 39.28 1ptw h PHE 195 CO 0.13 0.31 0.52 0.00 -2.23 0.00 0.00 178.31 177.04 1ptw h ALA 196 N 1.17 1.22 -0.65 2.41 0.00 -0.48 -1.57 119.26 121.36 1ptw h ALA 196 Ca 0.16 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1ptw h ALA 196 Cb -0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1ptw h ALA 196 CO -0.05 0.20 0.20 0.77 0.00 0.00 0.00 179.25 180.36 1ptw h SER 197 N 0.90 0.93 0.19 0.00 0.02 -0.44 -0.76 113.55 114.39 1ptw h SER 197 Ca 0.40 -0.16 -0.08 0.00 -0.84 0.00 0.00 61.79 61.11 1ptw h SER 197 Cb 0.29 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1ptw h SER 197 CO -0.22 0.87 -0.30 0.00 -1.14 0.00 0.00 176.83 176.05 1ptw h ALA 198 N 1.25 1.32 -0.01 3.77 0.00 -0.35 -3.20 119.26 122.04 1ptw h ALA 198 Ca 0.21 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ptw h ALA 198 Cb 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ptw h ALA 198 CO -0.01 0.48 -0.52 0.44 0.00 0.00 0.00 179.25 179.63 1ptw n ILE 199 N -4.13 0.00 0.10 0.00 -5.35 -0.98 -4.69 119.36 104.31 1ptw n ILE 199 Ca -0.01 -0.24 0.19 0.00 -0.27 0.00 0.00 62.75 62.42 1ptw n ILE 199 Cb 0.39 1.17 0.64 0.00 -1.74 0.00 0.00 39.64 40.10 1ptw n ILE 199 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 1ptw h HIS 200 N 1.64 0.00 0.00 4.28 2.07 -1.13 -1.35 115.15 120.66 1ptw h HIS 200 Ca 0.00 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.48 1ptw h HIS 200 Cb 0.61 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 30.51 1ptw h HIS 200 CO 0.00 0.00 -0.50 -0.25 -3.07 0.00 0.00 177.93 174.11 1ptw n ASP 201 N -3.34 0.98 -4.77 3.10 8.00 -1.26 -4.86 116.55 114.41 1ptw n ASP 201 Ca 0.08 -2.49 -0.40 0.00 0.71 0.00 0.00 54.79 52.69 1ptw n ASP 201 Cb 0.78 -0.32 0.01 0.00 -0.02 0.00 0.00 41.12 41.57 1ptw n ASP 201 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ptw s VAL 202 N -1.08 2.19 -1.56 2.53 0.11 -0.51 -2.47 120.40 119.61 1ptw s VAL 202 Ca 0.20 0.18 -0.04 0.00 -2.93 0.00 0.00 61.98 59.38 1ptw s VAL 202 Cb 0.20 -3.11 0.00 0.00 -1.53 0.00 0.00 36.38 31.94 1ptw s VAL 202 CO -0.04 0.03 0.56 -0.67 -3.33 0.00 0.00 175.10 171.65 1ptw n ASP 203 N 0.08 -6.09 -4.70 3.54 2.03 -0.41 -4.40 116.55 106.61 1ptw n ASP 203 Ca 0.03 -0.26 -0.42 0.00 0.52 0.00 0.00 54.79 54.66 1ptw n ASP 203 Cb 0.41 -4.91 -0.03 0.00 -0.72 0.00 0.00 41.12 35.87 1ptw n ASP 203 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1ptw s HIS 204 N -3.17 3.01 0.07 -0.67 5.65 -1.03 -4.92 115.29 114.23 1ptw s HIS 204 Ca 0.28 0.91 0.30 0.00 0.25 0.00 0.00 55.06 56.80 1ptw s HIS 204 Cb -0.12 -3.63 1.18 0.00 -1.18 0.00 0.00 32.58 28.82 1ptw s HIS 204 CO 0.34 -2.27 1.92 -1.00 -0.65 0.00 0.00 174.74 173.08 1ptw h PRO 205 N 7.49 0.00 0.00 2.88 0.13 -1.92 -3.41 132.00 137.16 1ptw h PRO 205 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1ptw h PRO 205 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ptw h PRO 205 CO 0.88 0.05 0.00 0.41 -0.23 0.00 0.00 178.00 179.12 1ptw n GLY 206 N 0.15 0.97 3.15 1.56 0.00 -1.26 -4.98 105.19 104.77 1ptw n GLY 206 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 1ptw n GLY 206 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ptw s VAL 207 N -2.00 0.88 0.97 1.61 -7.23 -1.26 -4.77 120.40 108.61 1ptw s VAL 207 Ca 0.00 -1.45 -0.12 0.00 -1.81 0.00 0.00 61.98 58.60 1ptw s VAL 207 Cb 0.00 -1.14 0.17 0.00 0.56 0.00 0.00 36.38 35.97 1ptw s VAL 207 CO 0.00 -0.46 1.09 -0.94 -0.31 0.00 0.00 175.10 174.49 1ptw s SER 208 N -2.12 2.84 0.19 4.85 1.04 -1.26 -4.88 113.70 114.36 1ptw s SER 208 Ca 0.01 1.27 -0.11 0.00 0.48 0.00 0.00 55.95 57.59 1ptw s SER 208 Cb -0.06 -1.93 0.11 0.00 0.10 0.00 0.00 66.02 64.24 1ptw s SER 208 CO 0.00 -3.01 1.79 0.78 0.98 0.00 0.00 173.24 173.79 1ptw h ASN 209 N -1.81 0.87 -0.53 7.02 2.35 -2.01 -2.59 115.58 118.88 1ptw h ASN 209 Ca -0.53 -0.12 0.10 0.00 -0.55 0.00 0.00 56.30 55.20 1ptw h ASN 209 Cb 1.32 -0.22 -0.09 0.00 0.05 0.00 0.00 38.32 39.38 1ptw h ASN 209 CO 0.57 0.74 0.02 -0.61 -1.65 0.00 0.00 177.43 176.51 1ptw h GLN 210 N 0.94 0.14 -0.79 0.81 5.75 -1.98 0.30 115.11 120.27 1ptw h GLN 210 Ca 0.23 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.71 1ptw h GLN 210 Cb 0.09 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.57 1ptw h GLN 210 CO -0.03 0.09 0.42 0.35 -2.65 0.00 0.00 178.83 177.01 1ptw h PHE 211 N 0.14 1.09 -0.01 3.99 3.04 -1.86 0.16 116.94 123.50 1ptw h PHE 211 Ca 0.27 -0.03 -0.09 0.00 3.98 0.00 0.00 57.97 62.11 1ptw h PHE 211 Cb 0.42 -0.35 -0.01 0.00 2.56 0.00 0.00 35.95 38.57 1ptw h PHE 211 CO -0.31 0.77 -0.40 -0.07 -2.02 0.00 0.00 178.31 176.28 1ptw h LEU 212 N 1.09 0.02 0.06 0.59 3.38 -0.74 -3.03 115.31 116.69 1ptw h LEU 212 Ca 0.28 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 58.03 1ptw h LEU 212 Cb 0.05 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 40.81 1ptw h LEU 212 CO -0.04 0.42 -0.83 0.40 0.09 0.00 0.00 178.44 178.48 1ptw h ILE 213 N 0.02 1.40 0.00 1.22 2.04 0.13 -2.88 117.51 119.44 1ptw h ILE 213 Ca -0.00 -2.28 0.00 0.00 1.00 0.00 0.00 64.86 63.58 1ptw h ILE 213 Cb 0.72 2.74 0.00 0.00 -0.74 0.00 0.00 36.82 39.54 1ptw h ILE 213 CO 0.05 0.67 0.00 0.59 0.00 0.00 0.00 178.15 179.46 1ptw n ASN 214 N -4.07 0.58 0.00 1.72 3.02 0.52 -2.50 115.26 114.53 1ptw n ASN 214 Ca -0.12 -1.67 0.00 0.00 -0.03 0.00 0.00 54.58 52.76 1ptw n ASN 214 Cb 0.79 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 1ptw n ASN 214 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1ptw n THR 215 N -0.10 0.00 -3.17 3.41 -2.24 -1.20 -5.01 114.28 105.98 1ptw n THR 215 Ca 0.00 -0.18 -0.22 0.00 -2.27 0.00 0.00 64.05 61.37 1ptw n THR 215 Cb 0.14 1.49 0.05 0.00 -2.10 0.00 0.00 70.33 69.92 1ptw n THR 215 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ptw n ASN 216 N -0.08 -6.15 -4.76 3.42 3.02 -1.04 -4.93 115.26 104.73 1ptw n ASN 216 Ca 0.00 -0.35 -0.39 0.00 -0.03 0.00 0.00 54.58 53.81 1ptw n ASN 216 Cb 0.12 -4.91 0.03 0.00 -0.61 0.00 0.00 39.78 34.41 1ptw n ASN 216 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1ptw s SER 217 N -2.89 5.53 0.49 6.41 1.04 -1.09 -4.83 113.70 118.37 1ptw s SER 217 Ca 0.38 2.77 0.29 0.00 0.48 0.00 0.00 55.95 59.87 1ptw s SER 217 Cb -0.17 -2.64 1.38 0.00 0.10 0.00 0.00 66.02 64.69 1ptw s SER 217 CO 0.47 -1.40 1.82 -0.08 0.98 0.00 0.00 173.24 175.03 1ptw h GLU 218 N 1.78 0.13 0.27 4.02 4.81 -1.91 -0.98 114.58 122.69 1ptw h GLU 218 Ca -0.51 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.70 1ptw h GLU 218 Cb 1.29 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1ptw h GLU 218 CO 0.59 0.09 -0.13 1.25 -0.73 0.00 0.00 179.01 180.08 1ptw h LEU 219 N 0.14 -0.30 -0.90 1.64 5.85 -1.91 -1.22 115.31 118.60 1ptw h LEU 219 Ca 0.53 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 59.03 1ptw h LEU 219 Cb 1.84 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.94 1ptw h LEU 219 CO -0.10 0.10 0.01 0.00 -0.34 0.00 0.00 178.44 178.11 1ptw n ALA 220 N -2.48 1.02 -0.10 1.25 0.00 -0.44 -1.91 120.51 117.86 1ptw n ALA 220 Ca -0.09 0.13 -0.12 0.00 0.00 0.00 0.00 53.44 53.36 1ptw n ALA 220 Cb 0.26 -1.19 -0.15 0.00 0.00 0.00 0.00 19.45 18.37 1ptw n ALA 220 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ptw n LEU 221 N -1.98 0.81 0.09 0.00 4.77 -0.82 -1.70 117.00 118.17 1ptw n LEU 221 Ca -0.01 0.02 -0.02 0.00 -0.03 0.00 0.00 56.01 55.97 1ptw n LEU 221 Cb 0.03 0.11 0.23 0.00 -2.33 0.00 0.00 43.42 41.46 1ptw n LEU 221 CO 0.06 0.59 0.65 -0.03 -1.33 0.00 0.00 177.39 177.34 1ptw h MET 222 N 0.00 0.25 -0.78 3.23 4.05 -0.51 -3.16 114.93 118.00 1ptw h MET 222 Ca -0.53 -0.12 -0.50 0.00 -0.28 0.00 0.00 59.70 58.28 1ptw h MET 222 Cb 2.14 -0.00 -0.28 0.00 -0.80 0.00 0.00 31.60 32.66 1ptw h MET 222 CO 0.01 0.61 0.23 0.66 0.23 0.00 0.00 176.91 178.65 1ptw n TYR 223 N -4.04 2.56 -3.38 1.39 4.01 -1.03 -4.97 117.16 111.72 1ptw n TYR 223 Ca -0.01 -2.30 -0.14 0.00 -0.16 0.00 0.00 57.90 55.29 1ptw n TYR 223 Cb 0.47 -0.88 -0.03 0.00 -0.31 0.00 0.00 39.34 38.59 1ptw n TYR 223 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1ptw n ASN 224 N -0.97 -0.10 0.00 7.72 3.02 -1.20 -0.33 115.26 123.41 1ptw n ASN 224 Ca 0.51 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1ptw n ASN 224 Cb 1.00 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 1ptw n ASN 224 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1ptw n ASP 225 N -0.80 -2.80 -4.45 6.41 8.00 -0.69 -4.92 116.55 117.30 1ptw n ASP 225 Ca -0.11 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 54.99 1ptw n ASP 225 Cb 0.26 -2.21 -0.11 0.00 -0.02 0.00 0.00 41.12 39.04 1ptw n ASP 225 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1ptw s SER 226 N -1.30 5.75 -1.29 -2.24 0.01 0.55 -4.59 113.70 110.60 1ptw s SER 226 Ca 0.00 -0.65 -0.10 0.00 1.31 0.00 0.00 55.95 56.51 1ptw s SER 226 Cb 0.00 -2.05 -0.00 0.00 0.21 0.00 0.00 66.02 64.18 1ptw s SER 226 CO 0.00 -0.27 0.58 -1.20 0.41 0.00 0.00 173.24 172.76 1ptw n SER 227 N 5.03 -2.48 0.01 2.44 7.64 -1.26 -4.83 113.62 120.16 1ptw n SER 227 Ca -0.13 -1.03 -0.01 0.00 1.01 0.00 0.00 58.87 58.71 1ptw n SER 227 Cb 0.48 -3.09 -0.01 0.00 -1.01 0.00 0.00 64.21 60.58 1ptw n SER 227 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1ptw h VAL 228 N -1.92 0.00 -0.59 0.44 2.07 -1.84 -1.24 116.25 113.17 1ptw h VAL 228 Ca -0.65 0.00 0.10 0.00 0.82 0.00 0.00 66.70 66.97 1ptw h VAL 228 Cb 1.37 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 1ptw h VAL 228 CO 0.56 0.00 0.18 -0.07 0.02 0.00 0.00 177.57 178.27 1ptw h LEU 229 N -0.05 0.14 -1.04 2.57 3.38 -1.95 -1.21 115.31 117.16 1ptw h LEU 229 Ca 0.00 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1ptw h LEU 229 Cb 0.05 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1ptw h LEU 229 CO -0.02 0.09 0.47 -0.33 0.09 0.00 0.00 178.44 178.73 1ptw h GLU 230 N 0.34 1.14 -0.21 1.13 3.07 -1.89 0.29 114.58 118.45 1ptw h GLU 230 Ca 0.30 -0.12 -0.15 0.00 -0.50 0.00 0.00 59.36 58.89 1ptw h GLU 230 Cb 0.40 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 1ptw h GLU 230 CO -0.33 0.82 -0.49 -0.91 -1.40 0.00 0.00 179.01 176.70 1ptw h ASN 231 N 1.15 0.61 -0.39 1.42 2.35 -0.69 -2.73 115.58 117.31 1ptw h ASN 231 Ca 0.29 -0.30 -0.14 0.00 -0.55 0.00 0.00 56.30 55.60 1ptw h ASN 231 Cb -0.00 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1ptw h ASN 231 CO -0.05 1.00 -0.31 -0.74 -1.65 0.00 0.00 177.43 175.68 1ptw h HIS 232 N 0.45 1.05 -0.75 1.19 2.76 -0.47 -1.97 115.15 117.40 1ptw h HIS 232 Ca 0.02 -0.30 0.02 0.00 -2.20 0.00 0.00 60.37 57.91 1ptw h HIS 232 Cb 1.02 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 29.71 1ptw h HIS 232 CO 0.04 1.10 0.49 0.45 -1.30 0.00 0.00 177.93 178.71 1ptw h HIS 233 N 0.70 0.92 -0.18 5.26 3.86 -0.36 -1.27 115.15 124.09 1ptw h HIS 233 Ca 0.07 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 1ptw h HIS 233 Cb 0.89 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 1ptw h HIS 233 CO 0.06 0.56 0.03 -0.07 0.86 0.00 0.00 177.93 179.37 1ptw h LEU 234 N 0.98 0.29 -0.01 2.43 3.38 -1.42 -1.77 115.31 119.19 1ptw h LEU 234 Ca 0.29 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1ptw h LEU 234 Cb -0.06 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1ptw h LEU 234 CO -0.08 0.48 0.01 0.00 0.09 0.00 0.00 178.44 178.93 1ptw h ALA 235 N 0.82 0.01 -0.36 1.53 0.00 -1.06 -1.65 119.26 118.56 1ptw h ALA 235 Ca 0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ptw h ALA 235 Cb 0.31 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1ptw h ALA 235 CO 0.00 -0.49 0.20 0.28 0.00 0.00 0.00 179.25 179.25 1ptw h VAL 236 N 0.01 1.13 -0.52 0.00 2.07 -1.27 0.21 116.25 117.88 1ptw h VAL 236 Ca 0.00 -0.33 0.08 0.00 0.82 0.00 0.00 66.70 67.28 1ptw h VAL 236 Cb -0.00 0.70 -0.07 0.00 -1.52 0.00 0.00 31.29 30.40 1ptw h VAL 236 CO -0.00 0.13 0.13 1.23 0.02 0.00 0.00 177.57 179.08 1ptw h GLY 237 N 0.46 0.65 1.62 2.17 0.00 -1.08 -0.20 103.07 106.68 1ptw h GLY 237 Ca 0.13 -0.05 -0.17 0.00 0.00 0.00 0.00 47.33 47.24 1ptw h GLY 237 CO -0.02 -0.05 -0.65 0.74 0.00 0.00 0.00 176.54 176.56 1ptw h PHE 238 N 0.27 0.51 -0.68 5.60 0.04 -1.20 -3.25 116.94 118.23 1ptw h PHE 238 Ca 0.26 -0.20 -0.05 0.00 2.80 0.00 0.00 57.97 60.77 1ptw h PHE 238 Cb 0.34 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.37 1ptw h PHE 238 CO -0.21 0.93 0.21 -0.22 -0.60 0.00 0.00 178.31 178.41 1ptw h LYS 239 N 0.28 1.04 0.00 1.51 1.63 0.04 -2.44 116.57 118.63 1ptw h LYS 239 Ca -0.01 -0.21 -0.00 0.00 -0.85 0.00 0.00 60.65 59.57 1ptw h LYS 239 Cb 1.19 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 32.67 1ptw h LYS 239 CO 0.11 0.89 -0.02 -0.07 -3.45 0.00 0.00 179.45 176.92 1ptw h LEU 240 N 1.00 0.00 -1.34 5.20 3.38 -1.10 -0.76 115.31 121.68 1ptw h LEU 240 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1ptw h LEU 240 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1ptw h LEU 240 CO -0.01 0.02 0.00 -0.07 0.09 0.00 0.00 178.44 178.47 1ptw h LEU 241 N 0.00 0.00 -0.77 1.67 3.38 -1.54 -1.96 115.31 116.09 1ptw h LEU 241 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ptw h LEU 241 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1ptw h LEU 241 CO 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 178.44 178.36 1ptw n GLN 242 N -2.31 1.23 -1.71 1.13 6.02 -0.29 -2.60 117.38 118.85 1ptw n GLN 242 Ca -0.01 -0.77 -0.29 0.00 -0.01 0.00 0.00 57.00 55.91 1ptw n GLN 242 Cb 0.09 -1.48 0.09 0.00 1.02 0.00 0.00 30.24 29.96 1ptw n GLN 242 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1ptw s GLU 243 N -2.30 1.96 -0.08 -1.09 2.02 -0.74 -4.90 118.70 113.57 1ptw s GLU 243 Ca 0.29 0.36 -0.37 0.00 0.02 0.00 0.00 54.97 55.27 1ptw s GLU 243 Cb 0.20 -1.93 -0.14 0.00 0.10 0.00 0.00 34.13 32.36 1ptw s GLU 243 CO 0.45 -1.65 1.67 -1.91 0.02 0.00 0.00 175.26 173.85 1ptw n GLU 244 N -3.40 1.61 -3.44 1.61 4.07 -1.26 -1.95 120.64 117.88 1ptw n GLU 244 Ca 0.07 0.59 -0.25 0.00 -0.06 0.00 0.00 57.16 57.51 1ptw n GLU 244 Cb 0.59 -2.32 0.02 0.00 -0.06 0.00 0.00 31.44 29.67 1ptw n GLU 244 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1ptw n ASN 245 N 4.84 -4.96 -0.35 4.31 4.05 -1.26 -4.89 115.26 117.01 1ptw n ASN 245 Ca 0.22 -0.48 0.05 0.00 0.45 0.00 0.00 54.58 54.82 1ptw n ASN 245 Cb 0.21 -4.01 0.03 0.00 1.23 0.00 0.00 39.78 37.25 1ptw n ASN 245 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1ptw n ASP 247 N 0.40 4.84 0.10 0.00 2.03 -1.07 -4.53 116.55 118.32 1ptw n ASP 247 Ca 0.05 -2.92 0.08 0.00 0.52 0.00 0.00 54.79 52.52 1ptw n ASP 247 Cb 0.23 -1.70 0.40 0.00 -0.72 0.00 0.00 41.12 39.32 1ptw n ASP 247 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1ptw n ILE 248 N 5.82 1.26 -0.56 5.18 -5.35 -1.26 -1.48 119.36 122.97 1ptw n ILE 248 Ca 0.47 0.56 0.09 0.00 -0.27 0.00 0.00 62.75 63.61 1ptw n ILE 248 Cb 0.44 -1.54 0.32 0.00 -1.74 0.00 0.00 39.64 37.12 1ptw n ILE 248 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1ptw n PHE 249 N -2.00 1.23 0.21 4.28 3.72 -1.26 -4.62 117.46 119.02 1ptw n PHE 249 Ca -0.00 -0.60 0.16 0.00 -0.05 0.00 0.00 57.45 56.96 1ptw n PHE 249 Cb 0.06 -0.18 0.81 0.00 -0.94 0.00 0.00 39.48 39.23 1ptw n PHE 249 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1ptw h GLN 250 N 3.68 0.00 -0.27 -1.08 3.07 -1.63 -2.65 115.11 116.23 1ptw h GLN 250 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1ptw h GLN 250 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.85 1ptw h GLN 250 CO 0.16 0.00 0.00 0.09 0.09 0.00 0.00 178.83 179.17 1ptw n ASN 251 N -3.96 3.29 -4.84 0.06 3.02 -1.26 -4.95 115.26 106.62 1ptw n ASN 251 Ca 0.01 -1.99 -0.33 0.00 -0.03 0.00 0.00 54.58 52.24 1ptw n ASN 251 Cb 0.27 -0.16 -0.06 0.00 -0.61 0.00 0.00 39.78 39.22 1ptw n ASN 251 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ptw s LEU 252 N -1.67 3.95 1.01 3.41 1.43 -1.00 -4.94 118.68 120.87 1ptw s LEU 252 Ca 0.35 1.51 -0.13 0.00 -1.03 0.00 0.00 54.13 54.83 1ptw s LEU 252 Cb 0.22 -4.35 0.19 0.00 0.03 0.00 0.00 46.19 42.28 1ptw s LEU 252 CO 0.31 -0.33 1.11 0.42 0.23 0.00 0.00 176.35 178.09 1ptw s THR 253 N -2.16 1.96 0.19 5.49 -4.23 -1.26 -4.74 115.64 110.89 1ptw s THR 253 Ca 0.58 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.97 1ptw s THR 253 Cb -0.10 -2.56 0.12 0.00 1.34 0.00 0.00 72.50 71.30 1ptw s THR 253 CO 0.17 0.00 1.86 0.50 -0.54 0.00 0.00 174.62 176.61 1ptw h LYS 254 N -1.90 0.87 -0.44 3.99 1.63 -1.98 0.05 116.57 118.79 1ptw h LYS 254 Ca -0.53 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.21 1ptw h LYS 254 Cb 1.33 -0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 32.74 1ptw h LYS 254 CO 0.56 0.58 0.26 0.87 -3.45 0.00 0.00 179.45 178.27 1ptw h LYS 255 N 0.89 0.60 -0.76 1.90 1.57 -1.99 0.17 116.57 118.96 1ptw h LYS 255 Ca 0.24 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 1ptw h LYS 255 Cb -0.09 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.06 1ptw h LYS 255 CO -0.05 0.45 0.34 1.96 -0.57 0.00 0.00 179.45 181.57 1ptw h GLN 256 N 0.58 1.11 -0.30 3.15 4.20 -1.82 0.08 115.11 122.11 1ptw h GLN 256 Ca 0.16 -0.18 -0.13 0.00 0.06 0.00 0.00 58.65 58.56 1ptw h GLN 256 Cb 0.00 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 1ptw h GLN 256 CO -0.03 0.88 -0.33 0.00 -0.67 0.00 0.00 178.83 178.69 1ptw h ARG 257 N 1.08 0.66 -0.20 1.46 3.08 -0.63 0.41 114.38 120.25 1ptw h ARG 257 Ca 0.26 -0.31 -0.19 0.00 0.07 0.00 0.00 59.98 59.81 1ptw h ARG 257 Cb 0.16 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1ptw h ARG 257 CO -0.03 0.90 -0.64 1.96 -1.07 0.00 0.00 179.97 181.09 1ptw h GLN 258 N 0.56 0.71 -0.18 0.04 4.20 -0.75 -2.06 115.11 117.63 1ptw h GLN 258 Ca 0.06 -0.50 -0.04 0.00 0.06 0.00 0.00 58.65 58.23 1ptw h GLN 258 Cb 0.84 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 1ptw h GLN 258 CO 0.07 1.13 -0.03 1.03 -0.67 0.00 0.00 178.83 180.35 1ptw h SER 259 N 0.52 0.35 -0.28 1.46 0.87 -0.81 -2.65 113.55 113.01 1ptw h SER 259 Ca -0.01 -0.35 0.04 0.00 -1.23 0.00 0.00 61.79 60.24 1ptw h SER 259 Cb 1.24 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 63.06 1ptw h SER 259 CO 0.13 0.62 0.05 0.25 -0.53 0.00 0.00 176.83 177.35 1ptw h LEU 260 N 0.07 -0.00 -0.36 2.23 5.85 -0.94 -2.51 115.31 119.66 1ptw h LEU 260 Ca 0.05 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.86 1ptw h LEU 260 Cb 0.46 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 1ptw h LEU 260 CO 0.02 0.03 0.11 -0.09 -0.34 0.00 0.00 178.44 178.17 1ptw h ARG 261 N 0.15 0.24 -0.39 1.25 2.43 -1.35 -0.03 114.38 116.68 1ptw h ARG 261 Ca 0.13 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1ptw h ARG 261 Cb 0.14 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1ptw h ARG 261 CO -0.18 0.16 0.23 -0.22 -1.51 0.00 0.00 179.97 178.45 1ptw h LYS 262 N 0.25 0.53 0.05 0.20 3.64 -1.32 -0.38 116.57 119.53 1ptw h LYS 262 Ca 0.16 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1ptw h LYS 262 Cb 0.15 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1ptw h LYS 262 CO -0.18 0.41 -0.02 0.52 -2.27 0.00 0.00 179.45 177.90 1ptw h MET 263 N 0.50 -0.06 -0.32 1.90 2.86 -1.10 0.29 114.93 119.00 1ptw h MET 263 Ca 0.14 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.83 1ptw h MET 263 Cb 0.02 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.64 1ptw h MET 263 CO -0.02 0.03 0.03 0.28 1.06 0.00 0.00 176.91 178.28 1ptw h VAL 264 N -0.14 0.80 -0.25 -2.22 2.07 -0.89 0.25 116.25 115.87 1ptw h VAL 264 Ca -0.01 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.49 1ptw h VAL 264 Cb 0.12 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1ptw h VAL 264 CO 0.01 0.02 0.09 0.40 0.02 0.00 0.00 177.57 178.11 1ptw h ILE 265 N 0.13 0.94 -0.71 4.57 2.04 -0.71 -0.74 117.51 123.03 1ptw h ILE 265 Ca 0.16 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 1ptw h ILE 265 Cb 0.19 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1ptw h ILE 265 CO -0.23 0.04 0.41 0.44 0.00 0.00 0.00 178.15 178.80 1ptw h ASP 266 N 0.21 0.85 -0.14 1.72 3.45 0.32 -2.50 116.42 120.33 1ptw h ASP 266 Ca 0.11 -0.05 -0.06 0.00 0.43 0.00 0.00 57.03 57.46 1ptw h ASP 266 Cb 0.07 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 38.63 1ptw h ASP 266 CO -0.11 0.67 -0.14 0.40 -1.57 0.00 0.00 179.24 178.49 1ptw h ILE 267 N 0.98 1.35 -0.15 0.35 2.04 0.05 -3.04 117.51 119.09 1ptw h ILE 267 Ca 0.25 -1.29 -0.15 0.00 1.00 0.00 0.00 64.86 64.67 1ptw h ILE 267 Cb -0.01 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 1ptw h ILE 267 CO -0.04 0.38 -0.54 0.58 0.00 0.00 0.00 178.15 178.52 1ptw h VAL 268 N -0.03 1.34 -0.64 1.67 2.07 -1.08 -2.92 116.25 116.66 1ptw h VAL 268 Ca 0.02 -1.81 -0.03 0.00 0.82 0.00 0.00 66.70 65.70 1ptw h VAL 268 Cb 0.67 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 1ptw h VAL 268 CO 0.03 0.55 0.26 -0.07 0.02 0.00 0.00 177.57 178.37 1ptw h LEU 269 N 0.33 0.85 0.00 2.57 3.38 -1.53 -1.36 115.31 119.56 1ptw h LEU 269 Ca 0.01 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1ptw h LEU 269 Cb 1.06 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1ptw h LEU 269 CO 0.10 0.76 0.00 0.00 0.09 0.00 0.00 178.44 179.39 1ptw n ALA 270 N -2.45 1.49 1.31 1.53 0.00 -1.10 -1.77 120.51 119.52 1ptw n ALA 270 Ca 0.06 -0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.60 1ptw n ALA 270 Cb 0.17 -1.12 0.54 0.00 0.00 0.00 0.00 19.45 19.04 1ptw n ALA 270 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ptw n THR 271 N -1.31 0.00 -1.99 0.00 -2.24 -0.51 -4.79 114.28 103.44 1ptw n THR 271 Ca 0.03 -0.06 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 1ptw n THR 271 Cb 0.06 -0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.24 1ptw n THR 271 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ptw s ASP 272 N -2.57 6.65 0.42 3.42 -1.08 -0.73 -4.89 116.67 117.89 1ptw s ASP 272 Ca 0.25 2.38 0.10 0.00 -0.52 0.00 0.00 52.55 54.76 1ptw s ASP 272 Cb 0.20 -2.56 0.92 0.00 -1.46 0.00 0.00 42.92 40.02 1ptw s ASP 272 CO 0.51 -0.87 2.03 0.24 0.52 0.00 0.00 175.17 177.60 1ptw h MET 273 N 8.54 0.49 0.00 4.34 2.86 -1.90 -1.37 114.93 127.88 1ptw h MET 273 Ca -0.41 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 1ptw h MET 273 Cb 1.19 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.74 1ptw h MET 273 CO 0.93 0.32 0.10 -1.13 1.06 0.00 0.00 176.91 178.19 1ptw n SER 274 N -4.48 0.00 -0.24 1.22 3.41 -1.26 0.27 113.62 112.53 1ptw n SER 274 Ca 0.06 0.29 0.04 0.00 -0.26 0.00 0.00 58.87 58.99 1ptw n SER 274 Cb 0.18 -0.29 0.02 0.00 -0.26 0.00 0.00 64.21 63.86 1ptw n SER 274 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ptw n LYS 275 N -1.26 0.99 0.06 4.33 5.02 -0.52 -4.77 118.16 122.01 1ptw n LYS 275 Ca 0.00 -0.77 -0.11 0.00 -2.02 0.00 0.00 58.31 55.42 1ptw n LYS 275 Cb 0.10 -1.08 -0.07 0.00 -0.02 0.00 0.00 35.03 33.96 1ptw n LYS 275 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1ptw h HIS 276 N 1.20 -1.04 -0.66 2.13 2.76 -0.27 -0.77 115.15 118.50 1ptw h HIS 276 Ca 0.00 0.03 0.14 0.00 -2.20 0.00 0.00 60.37 58.34 1ptw h HIS 276 Cb 0.29 0.45 -0.12 0.00 1.55 0.00 0.00 27.41 29.58 1ptw h HIS 276 CO 0.00 -0.39 -0.06 0.52 -1.30 0.00 0.00 177.93 176.69 1ptw h MET 277 N -0.48 0.06 -0.29 5.26 2.86 -1.86 0.31 114.93 120.79 1ptw h MET 277 Ca 0.00 -0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 1ptw h MET 277 Cb 0.50 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1ptw h MET 277 CO -0.21 0.04 -0.27 -0.91 1.06 0.00 0.00 176.91 176.62 1ptw h ASN 278 N 0.06 0.60 -0.51 1.22 -0.26 -1.87 -1.84 115.58 112.99 1ptw h ASN 278 Ca 0.34 -0.22 -0.05 0.00 -0.56 0.00 0.00 56.30 55.81 1ptw h ASN 278 Cb 0.56 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.63 1ptw h ASN 278 CO -0.62 0.85 0.11 0.25 -1.06 0.00 0.00 177.43 176.96 1ptw h LEU 279 N 0.51 0.78 -0.59 1.61 6.46 0.55 -2.49 115.31 122.14 1ptw h LEU 279 Ca 0.07 -0.24 -0.10 0.00 -0.12 0.00 0.00 57.88 57.49 1ptw h LEU 279 Cb 0.73 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.44 1ptw h LEU 279 CO 0.06 0.82 -0.02 0.25 -0.62 0.00 0.00 178.44 178.92 1ptw h LEU 280 N 0.70 1.04 0.15 2.25 5.85 -0.30 -2.54 115.31 122.47 1ptw h LEU 280 Ca 0.16 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 1ptw h LEU 280 Cb 0.35 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1ptw h LEU 280 CO 0.00 1.10 -0.10 0.00 -0.34 0.00 0.00 178.44 179.10 1ptw h ALA 281 N 0.98 -0.24 -0.54 1.25 0.00 -1.19 -1.39 119.26 118.12 1ptw h ALA 281 Ca 0.17 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1ptw h ALA 281 Cb 0.58 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1ptw h ALA 281 CO 0.03 -0.64 0.36 -0.44 0.00 0.00 0.00 179.25 178.56 1ptw h ASP 282 N -0.26 0.45 -0.51 0.00 5.19 -1.40 -0.51 116.42 119.38 1ptw h ASP 282 Ca -0.01 -0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.28 1ptw h ASP 282 Cb 0.22 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.62 1ptw h ASP 282 CO 0.00 0.30 -0.15 0.25 -3.12 0.00 0.00 179.24 176.52 1ptw h LEU 283 N 0.52 1.02 -0.56 1.55 5.85 -1.00 -1.60 115.31 121.09 1ptw h LEU 283 Ca 0.23 -0.37 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 1ptw h LEU 283 Cb 0.26 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1ptw h LEU 283 CO -0.06 1.16 0.12 0.11 -0.34 0.00 0.00 178.44 179.42 1ptw h LYS 284 N 0.87 0.91 -0.96 1.25 1.57 -0.09 -0.40 116.57 119.73 1ptw h LYS 284 Ca 0.13 -0.23 0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1ptw h LYS 284 Cb 0.72 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.87 1ptw h LYS 284 CO 0.06 0.87 0.63 1.15 -0.57 0.00 0.00 179.45 181.58 1ptw h THR 285 N 0.81 1.19 -0.07 -0.16 2.02 -0.98 0.78 112.91 116.50 1ptw h THR 285 Ca 0.17 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 1ptw h THR 285 Cb 0.38 -0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 66.62 1ptw h THR 285 CO 0.01 0.23 0.02 -0.03 0.37 0.00 0.00 175.52 176.11 1ptw h MET 286 N 1.24 0.11 -0.22 6.66 1.85 -0.65 -2.67 114.93 121.25 1ptw h MET 286 Ca 0.37 -0.02 0.04 0.00 -0.61 0.00 0.00 59.70 59.48 1ptw h MET 286 Cb -0.04 -0.02 -0.04 0.00 0.43 0.00 0.00 31.60 31.94 1ptw h MET 286 CO -0.11 0.27 -0.02 0.28 -0.40 0.00 0.00 176.91 176.93 1ptw h VAL 287 N -0.07 0.83 -0.75 -5.77 2.07 -0.49 0.92 116.25 112.98 1ptw h VAL 287 Ca 0.02 -0.02 0.17 0.00 0.82 0.00 0.00 66.70 67.70 1ptw h VAL 287 Cb 0.21 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1ptw h VAL 287 CO -0.00 0.01 0.51 -0.08 0.02 0.00 0.00 177.57 178.03 1ptw h GLU 288 N 0.05 0.28 -0.43 1.57 4.81 -0.78 0.13 114.58 120.20 1ptw h GLU 288 Ca 0.10 -0.02 -0.27 0.00 -0.13 0.00 0.00 59.36 59.05 1ptw h GLU 288 Cb 0.14 -0.06 -0.17 0.00 0.63 0.00 0.00 28.75 29.29 1ptw h GLU 288 CO -0.19 0.19 -0.21 0.25 -0.73 0.00 0.00 179.01 178.32 1ptw n THR 289 N -4.44 2.59 -1.72 0.32 -2.24 -0.74 -5.05 114.28 103.00 1ptw n THR 289 Ca 0.15 -3.12 -0.42 0.00 -2.27 0.00 0.00 64.05 58.38 1ptw n THR 289 Cb 0.62 -0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 68.29 1ptw n THR 289 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1ptw n LYS 290 N -1.03 2.74 -5.09 -0.78 4.81 0.24 -4.98 118.16 114.06 1ptw n LYS 290 Ca 0.36 0.99 -0.31 0.00 -0.87 0.00 0.00 58.31 58.48 1ptw n LYS 290 Cb 0.95 -2.83 -0.15 0.00 0.02 0.00 0.00 35.03 33.02 1ptw n LYS 290 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1ptw s LYS 291 N 1.11 1.98 0.08 1.64 1.02 -1.26 -5.07 119.74 119.24 1ptw s LYS 291 Ca 0.75 -1.01 0.08 0.00 0.02 0.00 0.00 55.97 55.81 1ptw s LYS 291 Cb -0.52 -2.03 -0.03 0.00 -0.52 0.00 0.00 37.83 34.74 1ptw s LYS 291 CO 0.33 0.54 -0.20 0.14 -0.92 0.00 0.00 175.35 175.24 1ptw s VAL 292 N -0.71 1.65 0.48 3.17 -7.23 -1.26 -1.27 120.40 115.22 1ptw s VAL 292 Ca 0.11 -1.39 -0.05 0.00 -1.81 0.00 0.00 61.98 58.85 1ptw s VAL 292 Cb -0.10 -1.48 0.10 0.00 0.56 0.00 0.00 36.38 35.46 1ptw s VAL 292 CO 0.01 0.04 0.66 0.35 -0.31 0.00 0.00 175.10 175.84 1ptw n THR 293 N 1.41 0.00 -0.35 5.32 -2.24 -0.50 -4.84 114.28 113.08 1ptw n THR 293 Ca -0.19 -0.73 0.27 0.00 -2.27 0.00 0.00 64.05 61.13 1ptw n THR 293 Cb 0.53 -1.40 0.56 0.00 -2.10 0.00 0.00 70.33 67.92 1ptw n THR 293 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1ptw h SER 294 N -0.65 0.37 -2.86 3.42 0.87 -2.01 -3.34 113.55 109.35 1ptw h SER 294 Ca -0.21 0.09 -0.63 0.00 -1.23 0.00 0.00 61.79 59.80 1ptw h SER 294 Cb 0.68 0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 62.62 1ptw h SER 294 CO 0.19 0.03 -0.38 -0.44 -0.53 0.00 0.00 176.83 175.70 1ptw s SER 295 N -5.10 6.52 0.00 6.23 0.01 -1.26 -4.95 113.70 115.15 1ptw s SER 295 Ca -0.08 0.61 0.00 0.00 1.31 0.00 0.00 55.95 57.79 1ptw s SER 295 Cb 0.26 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 64.38 1ptw s SER 295 CO 0.80 0.30 0.13 0.61 0.41 0.00 0.00 173.24 175.50 1ptw n GLY 296 N 1.45 0.50 3.64 3.44 0.00 -1.25 -4.76 105.19 108.21 1ptw n GLY 296 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1ptw n GLY 296 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ptw s VAL 297 N 1.56 3.84 0.22 1.61 -7.23 -1.26 -4.68 120.40 114.46 1ptw s VAL 297 Ca 0.00 -0.84 -0.31 0.00 -1.81 0.00 0.00 61.98 59.03 1ptw s VAL 297 Cb 0.00 -2.73 -0.15 0.00 0.56 0.00 0.00 36.38 34.05 1ptw s VAL 297 CO 0.00 0.29 1.06 0.18 -0.31 0.00 0.00 175.10 176.32 1ptw n LEU 298 N 1.17 1.46 -4.51 1.32 4.32 -0.81 -1.41 117.00 118.54 1ptw n LEU 298 Ca -0.14 1.16 -0.41 0.00 -0.02 0.00 0.00 56.01 56.60 1ptw n LEU 298 Cb 0.52 -1.23 -0.10 0.00 -1.62 0.00 0.00 43.42 40.99 1ptw n LEU 298 CO 0.34 -1.45 -0.09 -0.22 -1.22 0.00 0.00 177.39 174.76 1ptw s LEU 299 N 0.72 4.67 -0.29 2.23 1.98 -0.40 -4.75 118.68 122.84 1ptw s LEU 299 Ca 0.67 -0.52 0.02 0.00 -2.89 0.00 0.00 54.13 51.40 1ptw s LEU 299 Cb -0.80 -2.17 0.08 0.00 0.66 0.00 0.00 46.19 43.96 1ptw s LEU 299 CO 0.56 -0.31 0.01 -0.76 -1.89 0.00 0.00 176.35 173.95 1ptw s LEU 300 N 1.76 3.39 0.00 -0.68 1.43 -1.26 -4.70 118.68 118.63 1ptw s LEU 300 Ca 0.07 -1.65 0.00 0.00 -1.03 0.00 0.00 54.13 51.52 1ptw s LEU 300 Cb -0.18 -1.32 0.00 0.00 0.03 0.00 0.00 46.19 44.73 1ptw s LEU 300 CO 0.11 -0.32 0.09 -0.67 0.23 0.00 0.00 176.35 175.78 1ptw n ASP 301 N 4.53 0.00 -4.77 2.29 4.64 -1.26 -4.86 116.55 117.12 1ptw n ASP 301 Ca -0.04 0.09 -0.31 0.00 -1.38 0.00 0.00 54.79 53.14 1ptw n ASP 301 Cb 0.43 0.00 0.09 0.00 -1.04 0.00 0.00 41.12 40.60 1ptw n ASP 301 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 1ptw s ASN 302 N -1.26 4.50 0.29 1.67 6.03 -1.26 -4.89 114.94 120.01 1ptw s ASN 302 Ca 0.00 1.77 -0.00 0.00 -1.03 0.00 0.00 52.86 53.60 1ptw s ASN 302 Cb 0.00 -2.49 0.49 0.00 -3.03 0.00 0.00 41.25 36.22 1ptw s ASN 302 CO 0.00 -2.03 1.89 0.22 -2.03 0.00 0.00 177.10 175.15 1ptw h TYR 303 N -1.13 1.12 -0.86 1.54 3.20 -1.99 -2.22 116.97 116.63 1ptw h TYR 303 Ca -0.44 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.54 1ptw h TYR 303 Cb 1.23 -0.37 -0.07 0.00 1.54 0.00 0.00 36.73 39.07 1ptw h TYR 303 CO 0.57 0.56 0.52 1.03 -1.64 0.00 0.00 178.16 179.20 1ptw h SER 304 N 1.08 0.77 0.10 -2.11 0.87 -1.99 0.43 113.55 112.71 1ptw h SER 304 Ca 0.42 0.03 -0.25 0.00 -1.23 0.00 0.00 61.79 60.76 1ptw h SER 304 Cb 0.23 -0.12 0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1ptw h SER 304 CO -0.17 0.46 -0.99 0.44 -0.53 0.00 0.00 176.83 176.04 1ptw h ASP 305 N 0.89 0.79 0.83 6.23 3.32 -1.84 -2.30 116.42 124.34 1ptw h ASP 305 Ca 0.40 -0.63 -0.04 0.00 0.02 0.00 0.00 57.03 56.79 1ptw h ASP 305 Cb 0.29 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1ptw h ASP 305 CO -0.22 1.42 -0.44 0.03 -1.72 0.00 0.00 179.24 178.31 1ptw h ARG 306 N 0.35 -1.13 -0.19 3.56 3.08 -0.74 -1.92 114.38 117.40 1ptw h ARG 306 Ca -0.11 0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1ptw h ARG 306 Cb 1.64 0.26 -0.01 0.00 0.08 0.00 0.00 29.97 31.94 1ptw h ARG 306 CO 0.19 -0.75 0.07 0.97 -1.07 0.00 0.00 179.97 179.38 1ptw h ILE 307 N -1.17 1.08 -0.46 2.04 6.09 -0.28 -2.17 117.51 122.63 1ptw h ILE 307 Ca -0.11 -0.24 -0.02 0.00 -1.37 0.00 0.00 64.86 63.12 1ptw h ILE 307 Cb 0.92 0.86 -0.02 0.00 0.47 0.00 0.00 36.82 39.05 1ptw h ILE 307 CO 0.16 0.09 0.21 -0.61 -3.07 0.00 0.00 178.15 174.93 1ptw h GLN 308 N 0.26 0.67 0.06 2.19 4.15 -1.18 0.82 115.11 122.08 1ptw h GLN 308 Ca 0.07 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 1ptw h GLN 308 Cb 0.05 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.63 1ptw h GLN 308 CO -0.01 0.58 -0.03 0.28 -1.93 0.00 0.00 178.83 177.72 1ptw h VAL 309 N 0.60 1.02 -0.97 2.39 2.07 -0.78 -1.45 116.25 119.13 1ptw h VAL 309 Ca 0.16 -0.26 0.08 0.00 0.82 0.00 0.00 66.70 67.49 1ptw h VAL 309 Cb 0.13 1.20 -0.07 0.00 -1.52 0.00 0.00 31.29 31.03 1ptw h VAL 309 CO -0.02 0.07 0.62 -0.07 0.02 0.00 0.00 177.57 178.19 1ptw h LEU 310 N -0.19 0.97 -0.10 2.57 3.38 -1.21 0.49 115.31 121.22 1ptw h LEU 310 Ca -0.01 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1ptw h LEU 310 Cb 0.17 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1ptw h LEU 310 CO 0.01 0.60 0.00 1.56 0.09 0.00 0.00 178.44 180.71 1ptw h GLN 311 N 1.10 0.17 -0.53 1.13 4.20 -0.64 -1.43 115.11 119.10 1ptw h GLN 311 Ca 0.43 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 59.03 1ptw h GLN 311 Cb 0.23 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 1ptw h GLN 311 CO -0.19 0.41 0.08 -0.91 -0.67 0.00 0.00 178.83 177.55 1ptw h ASN 312 N -0.10 0.80 -0.00 1.46 2.35 -0.74 -0.81 115.58 118.54 1ptw h ASN 312 Ca 0.03 -0.17 0.01 0.00 -0.55 0.00 0.00 56.30 55.62 1ptw h ASN 312 Cb 0.33 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1ptw h ASN 312 CO 0.00 0.81 -0.04 -0.03 -1.65 0.00 0.00 177.43 176.53 1ptw h MET 313 N 0.80 -0.06 -0.07 0.81 4.05 0.20 0.35 114.93 121.01 1ptw h MET 313 Ca 0.17 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.48 1ptw h MET 313 Cb 0.37 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.17 1ptw h MET 313 CO 0.01 -0.04 -0.47 0.28 0.23 0.00 0.00 176.91 176.92 1ptw h VAL 314 N -0.06 1.34 -0.60 -5.77 2.07 -1.13 -1.54 116.25 110.55 1ptw h VAL 314 Ca 0.02 -1.64 -0.08 0.00 0.82 0.00 0.00 66.70 65.82 1ptw h VAL 314 Cb 0.09 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 1ptw h VAL 314 CO -0.04 0.48 0.06 -0.74 0.02 0.00 0.00 177.57 177.35 1ptw h HIS 315 N 0.14 1.06 -0.30 1.57 6.17 -0.75 0.16 115.15 123.19 1ptw h HIS 315 Ca 0.01 -0.15 -0.05 0.00 0.71 0.00 0.00 60.37 60.89 1ptw h HIS 315 Cb 0.88 -0.29 -0.01 0.00 2.52 0.00 0.00 27.41 30.51 1ptw h HIS 315 CO 0.01 0.92 0.00 0.00 0.71 0.00 0.00 177.93 179.57 1ptw h ALA 317 N 0.84 1.37 -0.03 0.00 0.00 -0.92 -0.49 119.26 120.02 1ptw h ALA 317 Ca 0.09 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1ptw h ALA 317 Cb 0.43 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ptw h ALA 317 CO 0.02 0.52 -0.36 0.22 0.00 0.00 0.00 179.25 179.64 1ptw h ASP 318 N 1.23 0.07 -1.48 0.00 3.58 -0.73 -2.87 116.42 116.22 1ptw h ASP 318 Ca 0.41 -0.02 -0.66 0.00 0.42 0.00 0.00 57.03 57.17 1ptw h ASP 318 Cb 0.05 -0.02 -0.35 0.00 1.72 0.00 0.00 39.33 40.73 1ptw h ASP 318 CO -0.14 0.43 0.10 0.18 -2.88 0.00 0.00 179.24 176.93 1ptw n LEU 319 N -4.09 6.14 -0.00 2.28 4.77 -0.29 -4.63 117.00 121.17 1ptw n LEU 319 Ca -0.02 -4.88 0.08 0.00 -0.03 0.00 0.00 56.01 51.16 1ptw n LEU 319 Cb 0.41 -0.72 -0.10 0.00 -2.33 0.00 0.00 43.42 40.68 1ptw n LEU 319 CO 0.39 1.95 -0.23 -1.54 -1.33 0.00 0.00 177.39 176.63 1ptw n SER 320 N -0.60 0.88 -0.13 -1.43 3.41 -0.63 -4.56 113.62 110.56 1ptw n SER 320 Ca 0.48 -0.63 0.11 0.00 -0.26 0.00 0.00 58.87 58.57 1ptw n SER 320 Cb 0.56 1.22 0.45 0.00 -0.26 0.00 0.00 64.21 66.19 1ptw n SER 320 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ptw h ASN 321 N 0.00 0.47 0.31 4.04 7.08 -1.82 0.17 115.58 125.83 1ptw h ASN 321 Ca 0.00 0.01 0.00 0.00 -3.08 0.00 0.00 56.30 53.23 1ptw h ASN 321 Cb 0.50 -0.09 0.00 0.00 -2.08 0.00 0.00 38.32 36.65 1ptw h ASN 321 CO 0.00 0.28 0.00 -2.65 -2.08 0.00 0.00 177.43 172.98 1ptw n PRO 322 N -4.48 0.21 -0.12 4.14 -0.02 -1.26 -2.37 135.00 131.10 1ptw n PRO 322 Ca 0.11 0.14 0.07 0.00 -2.02 0.00 0.00 63.50 61.80 1ptw n PRO 322 Cb 0.37 -1.50 0.13 0.00 -0.02 0.00 0.00 33.50 32.48 1ptw n PRO 322 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1ptw n THR 323 N -1.30 0.57 -2.57 3.45 -2.24 0.59 -4.25 114.28 108.53 1ptw n THR 323 Ca 0.07 -0.78 -0.22 0.00 -2.27 0.00 0.00 64.05 60.85 1ptw n THR 323 Cb 0.13 0.84 0.04 0.00 -2.10 0.00 0.00 70.33 69.24 1ptw n THR 323 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ptw s LYS 324 N -1.07 2.50 0.35 -0.78 -0.14 -1.00 -4.55 119.74 115.05 1ptw s LYS 324 Ca 0.23 -0.67 -0.27 0.00 -1.36 0.00 0.00 55.97 53.90 1ptw s LYS 324 Cb 0.13 -2.43 -0.12 0.00 -1.68 0.00 0.00 37.83 33.73 1ptw s LYS 324 CO 0.19 -0.80 1.10 -2.30 -0.76 0.00 0.00 175.35 172.78 1ptw n PRO 325 N -2.44 1.60 -0.34 -1.68 -0.02 -1.26 -4.50 135.00 126.35 1ptw n PRO 325 Ca 0.08 0.57 0.23 0.00 -2.02 0.00 0.00 63.50 62.35 1ptw n PRO 325 Cb 0.60 -2.07 0.49 0.00 -0.02 0.00 0.00 33.50 32.50 1ptw n PRO 325 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1ptw h LEU 326 N 2.01 0.49 -1.46 2.45 5.85 -1.94 0.45 115.31 123.16 1ptw h LEU 326 Ca -0.43 0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.48 1ptw h LEU 326 Cb 1.32 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.35 1ptw h LEU 326 CO 0.60 0.04 0.44 -0.61 -0.34 0.00 0.00 178.44 178.57 1ptw h GLN 327 N 0.40 0.62 0.08 1.25 4.15 -2.00 -1.02 115.11 118.60 1ptw h GLN 327 Ca 0.65 -0.04 -0.12 0.00 0.77 0.00 0.00 58.65 59.91 1ptw h GLN 327 Cb 1.57 -0.14 0.01 0.00 0.21 0.00 0.00 27.48 29.13 1ptw h GLN 327 CO -0.39 0.41 -0.56 -0.07 -1.93 0.00 0.00 178.83 176.28 1ptw h LEU 328 N 0.64 0.27 -0.68 -2.39 3.38 -0.46 -3.28 115.31 112.79 1ptw h LEU 328 Ca 0.30 -0.95 0.12 0.00 0.09 0.00 0.00 57.88 57.44 1ptw h LEU 328 Cb 0.34 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.92 1ptw h LEU 328 CO -0.10 1.26 0.24 0.22 0.09 0.00 0.00 178.44 180.16 1ptw h TYR 329 N -0.63 0.40 -0.20 1.13 3.20 -1.04 -1.71 116.97 118.12 1ptw h TYR 329 Ca -0.11 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.75 1ptw h TYR 329 Cb 1.40 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.58 1ptw h TYR 329 CO 0.22 0.05 -0.07 0.00 -1.64 0.00 0.00 178.16 176.72 1ptw h ARG 330 N 0.39 0.31 -0.23 1.82 3.08 -1.32 0.02 114.38 118.45 1ptw h ARG 330 Ca 0.36 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 60.17 1ptw h ARG 330 Cb 0.52 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 1ptw h ARG 330 CO -0.38 0.39 -0.57 1.96 -1.07 0.00 0.00 179.97 180.31 1ptw h GLN 331 N 0.29 0.70 -0.31 0.04 4.20 -1.39 -1.75 115.11 116.89 1ptw h GLN 331 Ca 0.06 -0.46 -0.11 0.00 0.06 0.00 0.00 58.65 58.21 1ptw h GLN 331 Cb 0.32 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 1ptw h GLN 331 CO 0.01 1.08 -0.26 -1.49 -0.67 0.00 0.00 178.83 177.50 1ptw h TRP 332 N 0.53 0.71 -0.42 2.96 -0.00 -0.90 -1.88 115.95 116.97 1ptw h TRP 332 Ca 0.01 -0.17 -0.15 0.00 -0.00 0.00 0.00 58.89 58.58 1ptw h TRP 332 Cb 1.14 -0.17 -0.01 0.00 -0.00 0.00 0.00 29.16 30.13 1ptw h TRP 332 CO 0.06 0.83 -0.34 1.15 -0.00 0.00 0.00 178.44 180.14 1ptw h THR 333 N 0.54 1.27 -0.55 1.49 2.02 -0.87 -0.56 112.91 116.25 1ptw h THR 333 Ca 0.07 -1.51 -0.05 0.00 0.77 0.00 0.00 66.41 65.70 1ptw h THR 333 Cb 0.74 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 1ptw h THR 333 CO 0.06 0.51 0.16 0.44 0.37 0.00 0.00 175.52 177.06 1ptw h ASP 334 N 0.80 0.81 -0.30 4.18 3.32 -1.18 -0.94 116.42 123.11 1ptw h ASP 334 Ca 0.08 -0.22 -0.07 0.00 0.02 0.00 0.00 57.03 56.84 1ptw h ASP 334 Cb 0.93 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 1ptw h ASP 334 CO 0.09 0.81 -0.07 0.03 -1.72 0.00 0.00 179.24 178.39 1ptw h ARG 335 N 0.77 0.58 -0.42 3.56 3.08 -1.27 -0.51 114.38 120.17 1ptw h ARG 335 Ca 0.17 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 1ptw h ARG 335 Cb 0.30 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 1ptw h ARG 335 CO -0.00 0.77 0.13 0.97 -1.07 0.00 0.00 179.97 180.76 1ptw h ILE 336 N 0.35 1.22 -0.76 2.04 6.09 -1.01 -2.31 117.51 123.13 1ptw h ILE 336 Ca 0.08 -0.73 -0.06 0.00 -1.37 0.00 0.00 64.86 62.78 1ptw h ILE 336 Cb 0.55 0.91 -0.03 0.00 0.47 0.00 0.00 36.82 38.71 1ptw h ILE 336 CO 0.03 0.26 0.24 0.24 -3.07 0.00 0.00 178.15 175.84 1ptw h MET 337 N 0.53 1.17 -0.11 2.19 2.86 -1.11 -0.49 114.93 119.97 1ptw h MET 337 Ca 0.13 -0.25 0.03 0.00 -2.06 0.00 0.00 59.70 57.55 1ptw h MET 337 Cb 0.27 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.75 1ptw h MET 337 CO -0.00 0.99 0.08 1.49 1.06 0.00 0.00 176.91 180.53 1ptw h GLU 338 N 1.13 0.00 0.16 1.72 4.81 -0.79 0.75 114.58 122.35 1ptw h GLU 338 Ca 0.24 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.16 1ptw h GLU 338 Cb 0.31 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.70 1ptw h GLU 338 CO -0.01 0.00 -1.47 1.49 -0.73 0.00 0.00 179.01 178.30 1ptw h GLU 339 N 0.00 0.35 -0.28 1.92 4.81 -0.80 -2.76 114.58 117.82 1ptw h GLU 339 Ca 0.05 -0.60 -0.07 0.00 -0.13 0.00 0.00 59.36 58.61 1ptw h GLU 339 Cb 0.21 0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1ptw h GLU 339 CO -0.00 1.25 -0.13 0.74 -0.73 0.00 0.00 179.01 180.14 1ptw h PHE 340 N 0.10 0.52 0.00 0.92 0.04 -0.23 -2.38 116.94 115.91 1ptw h PHE 340 Ca -0.23 -0.08 -0.04 0.00 2.80 0.00 0.00 57.97 60.42 1ptw h PHE 340 Cb 2.05 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 40.06 1ptw h PHE 340 CO 0.08 0.60 -0.19 0.74 -0.60 0.00 0.00 178.31 178.94 1ptw h PHE 341 N 0.44 0.00 -0.11 -0.55 0.04 -0.94 -0.43 116.94 115.40 1ptw h PHE 341 Ca 0.08 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.68 1ptw h PHE 341 Cb 0.50 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 1ptw h PHE 341 CO 0.02 0.19 -0.66 0.00 -0.60 0.00 0.00 178.31 177.26 1ptw h ARG 342 N 0.00 0.45 -0.04 1.51 2.47 -1.13 -2.31 114.38 115.32 1ptw h ARG 342 Ca -0.00 -0.33 -0.25 0.00 -1.26 0.00 0.00 59.98 58.14 1ptw h ARG 342 Cb 1.01 0.06 0.02 0.00 -1.65 0.00 0.00 29.97 29.41 1ptw h ARG 342 CO 0.03 0.95 -0.97 0.37 0.56 0.00 0.00 179.97 180.91 1ptw h GLN 343 N 0.32 0.70 -0.80 0.04 4.15 -1.26 -2.61 115.11 115.65 1ptw h GLN 343 Ca -0.02 -0.70 0.08 0.00 0.77 0.00 0.00 58.65 58.78 1ptw h GLN 343 Cb 1.22 0.19 -0.07 0.00 0.21 0.00 0.00 27.48 29.03 1ptw h GLN 343 CO 0.12 1.29 0.47 0.78 -1.93 0.00 0.00 178.83 179.55 1ptw h GLY 344 N 0.53 1.21 0.90 2.39 0.00 -0.99 0.34 103.07 107.45 1ptw h GLY 344 Ca -0.11 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 46.87 1ptw h GLY 344 CO 0.19 0.18 -0.35 -0.55 0.00 0.00 0.00 176.54 176.00 1ptw h ASP 345 N 0.82 -0.84 -0.80 0.19 5.19 -1.40 -2.40 116.42 117.19 1ptw h ASP 345 Ca 0.37 0.01 0.14 0.00 -0.62 0.00 0.00 57.03 56.92 1ptw h ASP 345 Cb 0.26 0.22 -0.06 0.00 0.18 0.00 0.00 39.33 39.93 1ptw h ASP 345 CO -0.21 -0.53 0.52 0.03 -3.12 0.00 0.00 179.24 175.94 1ptw h ARG 346 N -1.11 0.53 -0.36 3.56 3.08 -1.06 -0.75 114.38 118.28 1ptw h ARG 346 Ca -0.10 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.85 1ptw h ARG 346 Cb 0.78 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 1ptw h ARG 346 CO 0.17 0.35 -0.06 0.93 -1.07 0.00 0.00 179.97 180.28 1ptw h GLU 347 N 0.55 0.59 0.00 0.04 5.08 -0.10 -2.39 114.58 118.35 1ptw h GLU 347 Ca 0.39 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1ptw h GLU 347 Cb 0.74 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1ptw h GLU 347 CO -0.15 0.66 -0.38 0.07 -1.00 0.00 0.00 179.01 178.22 1ptw h ARG 348 N 0.55 0.00 0.40 2.33 0.11 -0.66 0.60 114.38 117.71 1ptw h ARG 348 Ca 0.11 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.17 1ptw h ARG 348 Cb 0.45 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.54 1ptw h ARG 348 CO 0.02 0.00 -0.19 0.93 0.10 0.00 0.00 179.97 180.83 1ptw h GLU 349 N 0.00 -0.52 0.00 0.08 5.08 -0.87 -2.96 114.58 115.39 1ptw h GLU 349 Ca 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1ptw h GLU 349 Cb 0.81 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1ptw h GLU 349 CO 0.00 -0.30 0.00 0.54 -1.00 0.00 0.00 179.01 178.25 1ptw n ARG 350 N -5.13 0.33 -2.63 2.33 1.74 -0.94 -4.83 116.66 107.52 1ptw n ARG 350 Ca -0.07 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.97 1ptw n ARG 350 Cb 0.23 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 1ptw n ARG 350 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ptw n GLY 351 N -0.27 -1.11 3.19 -0.13 0.00 -1.12 -5.06 105.19 100.69 1ptw n GLY 351 Ca 0.05 0.66 -0.12 0.00 0.00 0.00 0.00 46.02 46.61 1ptw n GLY 351 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ptw s MET 352 N -2.61 1.06 -0.20 1.61 1.00 0.21 -4.99 119.30 115.37 1ptw s MET 352 Ca 0.10 -1.52 -0.29 0.00 0.00 0.00 0.00 55.69 53.98 1ptw s MET 352 Cb -0.03 0.09 -0.00 0.00 0.00 0.00 0.00 34.83 34.89 1ptw s MET 352 CO 0.59 -0.26 1.14 -2.00 0.00 0.00 0.00 175.02 174.49 1ptw s GLU 353 N -4.04 4.25 0.24 2.03 2.12 -1.26 -4.36 118.70 117.68 1ptw s GLU 353 Ca 0.28 1.49 -0.31 0.00 0.36 0.00 0.00 54.97 56.79 1ptw s GLU 353 Cb 0.07 -3.69 -0.12 0.00 0.26 0.00 0.00 34.13 30.65 1ptw s GLU 353 CO 0.05 -0.66 1.67 0.42 -0.54 0.00 0.00 175.26 176.19 1ptw s ILE 354 N 3.33 2.06 0.65 -3.70 1.01 -1.26 -4.98 121.20 118.31 1ptw s ILE 354 Ca 0.49 0.05 -0.12 0.00 0.00 0.00 0.00 60.65 61.06 1ptw s ILE 354 Cb -0.18 -3.03 -0.02 0.00 0.01 0.00 0.00 42.46 39.24 1ptw s ILE 354 CO 0.10 0.01 1.05 -0.44 0.00 0.00 0.00 174.94 175.65 1ptw s SER 355 N 0.91 5.75 0.28 3.58 0.01 -1.26 -4.96 113.70 118.01 1ptw s SER 355 Ca 0.70 1.60 -0.29 0.00 1.31 0.00 0.00 55.95 59.27 1ptw s SER 355 Cb -0.49 -2.50 -0.14 0.00 0.21 0.00 0.00 66.02 63.11 1ptw s SER 355 CO 0.38 -1.19 1.14 -2.65 0.41 0.00 0.00 173.24 171.32 1ptw n PRO 356 N -2.75 1.59 -1.15 12.44 -0.02 -1.26 -1.70 135.00 142.15 1ptw n PRO 356 Ca 0.07 0.56 -0.05 0.00 -2.02 0.00 0.00 63.50 62.06 1ptw n PRO 356 Cb 0.54 -2.02 -0.02 0.00 -0.02 0.00 0.00 33.50 31.97 1ptw n PRO 356 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1ptw n MET 357 N 0.93 -1.53 0.00 -0.52 2.81 -1.26 -4.83 117.12 112.73 1ptw n MET 357 Ca 0.09 0.62 0.07 0.00 -1.81 0.00 0.00 57.70 56.67 1ptw n MET 357 Cb 0.32 -4.86 0.02 0.00 -0.71 0.00 0.00 33.22 28.00 1ptw n MET 357 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ptw s ASP 359 N -1.55 6.22 0.00 0.00 -1.08 -1.26 -3.52 116.67 115.48 1ptw s ASP 359 Ca 0.14 -0.97 0.00 0.00 -0.52 0.00 0.00 52.55 51.20 1ptw s ASP 359 Cb 0.12 -2.36 0.00 0.00 -1.46 0.00 0.00 42.92 39.22 1ptw s ASP 359 CO 0.29 -1.20 0.59 2.29 0.52 0.00 0.00 175.17 177.66 1ptw n LYS 360 N 6.98 0.67 -0.04 4.34 2.85 -1.26 -2.36 118.16 129.34 1ptw n LYS 360 Ca -0.05 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.17 1ptw n LYS 360 Cb 0.45 -1.09 -0.07 0.00 -0.65 0.00 0.00 35.03 33.68 1ptw n LYS 360 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1ptw n HIS 361 N -0.33 0.00 -3.15 5.58 8.25 -1.26 -4.69 115.22 119.62 1ptw n HIS 361 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.21 1ptw n HIS 361 Cb 0.04 -0.40 -0.05 0.00 1.12 0.00 0.00 29.99 30.70 1ptw n HIS 361 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1ptw n ASN 362 N -2.28 3.00 -4.57 0.41 3.02 -0.99 -5.07 115.26 108.77 1ptw n ASN 362 Ca -0.13 -3.36 -0.37 0.00 -0.03 0.00 0.00 54.58 50.70 1ptw n ASN 362 Cb 0.75 -0.61 -0.11 0.00 -0.61 0.00 0.00 39.78 39.20 1ptw n ASN 362 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ptw s ALA 363 N -2.71 3.42 -0.80 5.41 0.00 -1.10 -4.76 121.76 121.23 1ptw s ALA 363 Ca 0.43 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 51.40 1ptw s ALA 363 Cb 0.25 -2.25 0.33 0.00 0.00 0.00 0.00 23.12 21.44 1ptw s ALA 363 CO -0.09 -0.35 1.36 0.43 0.00 0.00 0.00 175.76 177.11 1ptw n SER 364 N 4.64 5.84 -0.07 0.00 7.64 -1.26 -4.91 113.62 125.50 1ptw n SER 364 Ca -0.15 -3.68 -0.13 0.00 1.01 0.00 0.00 58.87 55.92 1ptw n SER 364 Cb 0.52 -0.86 -0.09 0.00 -1.01 0.00 0.00 64.21 62.77 1ptw n SER 364 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1ptw h VAL 365 N 2.64 0.00 -0.50 0.44 2.07 -1.98 0.67 116.25 119.59 1ptw h VAL 365 Ca 0.32 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.89 1ptw h VAL 365 Cb 0.42 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.15 1ptw h VAL 365 CO 1.00 0.00 0.23 -0.33 0.02 0.00 0.00 177.57 178.49 1ptw h GLU 366 N -0.45 0.44 -0.98 1.57 3.07 -1.90 -0.78 114.58 115.55 1ptw h GLU 366 Ca 0.05 -0.03 0.05 0.00 -0.50 0.00 0.00 59.36 58.93 1ptw h GLU 366 Cb 0.58 -0.10 -0.06 0.00 -0.84 0.00 0.00 28.75 28.33 1ptw h GLU 366 CO -0.48 0.29 0.64 -0.22 -1.40 0.00 0.00 179.01 177.84 1ptw h LYS 367 N 0.46 1.14 -0.20 2.33 3.64 -1.64 -1.99 116.57 120.30 1ptw h LYS 367 Ca 0.23 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1ptw h LYS 367 Cb 0.17 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1ptw h LYS 367 CO -0.18 0.76 0.10 0.77 -2.27 0.00 0.00 179.45 178.63 1ptw h SER 368 N 1.18 0.26 -0.48 4.20 0.02 0.17 -0.79 113.55 118.10 1ptw h SER 368 Ca 0.41 -0.11 0.04 0.00 -0.84 0.00 0.00 61.79 61.29 1ptw h SER 368 Cb 0.10 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 1ptw h SER 368 CO -0.15 0.30 0.23 1.56 -1.14 0.00 0.00 176.83 177.63 1ptw h GLN 369 N 0.20 0.45 -0.72 3.45 1.08 -0.79 0.38 115.11 119.16 1ptw h GLN 369 Ca 0.07 -0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.31 1ptw h GLN 369 Cb 0.11 -0.10 -0.06 0.00 -0.05 0.00 0.00 27.48 27.38 1ptw h GLN 369 CO -0.01 0.30 0.40 0.28 -0.95 0.00 0.00 178.83 178.85 1ptw h VAL 370 N 0.46 0.96 -0.21 -0.54 2.07 -1.09 0.15 116.25 118.04 1ptw h VAL 370 Ca 0.22 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 1ptw h VAL 370 Cb 0.14 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1ptw h VAL 370 CO -0.16 0.13 0.01 1.23 0.02 0.00 0.00 177.57 178.81 1ptw h GLY 371 N 0.73 0.40 0.96 2.17 0.00 0.23 -0.77 103.07 106.78 1ptw h GLY 371 Ca 0.33 -0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.39 1ptw h GLY 371 CO -0.20 0.26 0.38 -2.75 0.00 0.00 0.00 176.54 174.24 1ptw h PHE 372 N 0.15 0.72 0.08 5.60 3.57 0.36 -0.24 116.94 127.17 1ptw h PHE 372 Ca 0.06 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 1ptw h PHE 372 Cb 0.37 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.87 1ptw h PHE 372 CO 0.03 0.44 -0.04 0.82 -2.23 0.00 0.00 178.31 177.33 1ptw h ILE 373 N 0.77 1.09 -0.54 1.41 2.04 -0.70 -0.35 117.51 121.24 1ptw h ILE 373 Ca 0.23 -0.61 0.06 0.00 1.00 0.00 0.00 64.86 65.53 1ptw h ILE 373 Cb -0.05 1.49 -0.05 0.00 -0.74 0.00 0.00 36.82 37.47 1ptw h ILE 373 CO -0.07 0.15 0.25 0.44 0.00 0.00 0.00 178.15 178.93 1ptw h ASP 374 N -0.38 0.33 0.13 1.72 3.32 -0.89 0.62 116.42 121.28 1ptw h ASP 374 Ca -0.01 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1ptw h ASP 374 Cb 0.33 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1ptw h ASP 374 CO 0.02 0.22 -1.26 -1.22 -1.72 0.00 0.00 179.24 175.29 1ptw n TYR 375 N -4.91 0.07 0.07 4.55 4.02 -0.12 -4.51 117.16 116.33 1ptw n TYR 375 Ca 0.06 0.02 0.00 0.00 -0.01 0.00 0.00 57.90 57.97 1ptw n TYR 375 Cb 0.17 -0.26 0.00 0.00 -0.02 0.00 0.00 39.34 39.23 1ptw n TYR 375 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 1ptw n ILE 376 N -1.83 0.58 0.22 -0.72 5.41 -0.21 -4.78 119.36 118.04 1ptw n ILE 376 Ca 0.01 0.19 -0.15 0.00 1.00 0.00 0.00 62.75 63.81 1ptw n ILE 376 Cb 0.42 -1.03 -0.08 0.00 -0.71 0.00 0.00 39.64 38.24 1ptw n ILE 376 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1ptw h VAL 377 N 0.00 0.63 -0.37 1.39 2.07 -1.36 -2.18 116.25 116.42 1ptw h VAL 377 Ca 0.00 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1ptw h VAL 377 Cb 0.00 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1ptw h VAL 377 CO 0.00 0.03 0.19 -0.74 0.02 0.00 0.00 177.57 177.07 1ptw h HIS 378 N -0.60 0.52 -0.14 1.57 -0.00 -1.11 0.19 115.15 115.58 1ptw h HIS 378 Ca -0.05 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.29 1ptw h HIS 378 Cb 0.45 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.68 1ptw h HIS 378 CO -0.03 0.43 0.05 -1.35 -0.00 0.00 0.00 177.93 177.02 1ptw h PRO 379 N 0.47 0.19 -0.01 5.26 0.11 -1.73 -0.23 132.00 136.06 1ptw h PRO 379 Ca 0.13 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.15 1ptw h PRO 379 Cb 0.09 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 31.17 1ptw h PRO 379 CO -0.02 0.17 -0.28 1.25 -0.21 0.00 0.00 178.00 178.91 1ptw h LEU 380 N 0.19 0.26 -0.70 2.35 5.85 -0.70 -3.13 115.31 119.43 1ptw h LEU 380 Ca 0.05 -0.76 -0.14 0.00 0.84 0.00 0.00 57.88 57.87 1ptw h LEU 380 Cb 0.06 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1ptw h LEU 380 CO -0.00 0.98 -0.60 -0.50 -0.34 0.00 0.00 178.44 177.98 1ptw h TRP 381 N -0.44 0.21 -0.42 1.25 4.06 -0.46 -1.58 115.95 118.57 1ptw h TRP 381 Ca -0.03 -0.08 -0.04 0.00 2.06 0.00 0.00 58.89 60.79 1ptw h TRP 381 Cb 1.02 -0.04 -0.02 0.00 -1.00 0.00 0.00 29.16 29.12 1ptw h TRP 381 CO 0.17 0.72 0.09 1.49 -3.56 0.00 0.00 178.44 177.36 1ptw h GLU 382 N 0.12 0.64 -0.04 0.49 4.81 -1.16 0.19 114.58 119.64 1ptw h GLU 382 Ca -0.01 -0.12 -0.20 0.00 -0.13 0.00 0.00 59.36 58.91 1ptw h GLU 382 Cb 1.09 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 30.38 1ptw h GLU 382 CO 0.09 0.59 -0.77 1.15 -0.73 0.00 0.00 179.01 179.34 1ptw h THR 383 N 0.62 1.35 -0.74 0.32 2.02 -1.44 -2.64 112.91 112.40 1ptw h THR 383 Ca 0.14 -2.08 -0.05 0.00 0.77 0.00 0.00 66.41 65.19 1ptw h THR 383 Cb 0.25 2.38 -0.03 0.00 -1.74 0.00 0.00 68.15 69.01 1ptw h THR 383 CO -0.00 0.63 0.28 -0.25 0.37 0.00 0.00 175.52 176.55 1ptw h TRP 384 N 0.19 1.13 -0.90 3.16 2.91 -0.96 -2.54 115.95 118.93 1ptw h TRP 384 Ca -0.09 -0.09 0.07 0.00 1.13 0.00 0.00 58.89 59.91 1ptw h TRP 384 Cb 1.44 -0.34 -0.06 0.00 -0.51 0.00 0.00 29.16 29.69 1ptw h TRP 384 CO 0.12 0.87 0.59 0.00 -1.03 0.00 0.00 178.44 178.99 1ptw h ALA 385 N 1.14 1.52 -0.32 2.65 0.00 -0.61 -1.69 119.26 121.95 1ptw h ALA 385 Ca 0.24 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 1ptw h ALA 385 Cb 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1ptw h ALA 385 CO -0.02 0.34 -0.34 -0.44 0.00 0.00 0.00 179.25 178.80 1ptw h ASP 386 N 1.02 0.74 -0.64 0.00 3.32 -1.08 0.19 116.42 119.97 1ptw h ASP 386 Ca 0.39 -0.31 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1ptw h ASP 386 Cb 0.21 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1ptw h ASP 386 CO -0.15 1.01 0.28 0.25 -1.72 0.00 0.00 179.24 178.92 1ptw h LEU 387 N 0.60 0.89 -3.23 1.55 5.85 -1.02 -3.02 115.31 116.93 1ptw h LEU 387 Ca 0.06 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1ptw h LEU 387 Cb 0.86 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1ptw h LEU 387 CO 0.07 0.78 -0.01 1.33 -0.34 0.00 0.00 178.44 180.28 1ptw n VAL 388 N -4.31 2.25 -1.55 1.05 0.24 -0.87 -4.96 118.33 110.18 1ptw n VAL 388 Ca 0.06 -2.04 -0.52 0.00 -2.04 0.00 0.00 64.34 59.81 1ptw n VAL 388 Cb 0.16 -0.26 -0.05 0.00 -1.47 0.00 0.00 33.84 32.22 1ptw n VAL 388 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1ptw n HIS 389 N -0.73 1.11 -0.47 6.34 -0.00 0.67 -0.94 115.22 121.22 1ptw n HIS 389 Ca 0.22 0.76 0.11 0.00 -0.00 0.00 0.00 57.72 58.81 1ptw n HIS 389 Cb 0.87 -2.24 0.34 0.00 -0.00 0.00 0.00 29.99 28.96 1ptw n HIS 389 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1ptw n PRO 390 N 1.90 3.11 -0.30 1.57 -0.04 -1.26 -4.98 135.00 135.00 1ptw n PRO 390 Ca 0.17 -2.77 0.26 0.00 -0.04 0.00 0.00 63.50 61.12 1ptw n PRO 390 Cb 0.20 -1.70 0.48 0.00 -0.04 0.00 0.00 33.50 32.43 1ptw n PRO 390 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ptw n ASP 391 N 1.51 0.22 -1.59 3.54 9.92 -0.11 -1.30 116.55 128.74 1ptw n ASP 391 Ca 0.25 1.53 0.09 0.00 -0.53 0.00 0.00 54.79 56.14 1ptw n ASP 391 Cb 0.73 -0.70 0.36 0.00 -0.64 0.00 0.00 41.12 40.87 1ptw n ASP 391 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ptw n ALA 392 N -2.53 3.23 -0.22 2.24 0.00 -1.26 -4.61 120.51 117.36 1ptw n ALA 392 Ca 0.32 -1.71 0.02 0.00 0.00 0.00 0.00 53.44 52.07 1ptw n ALA 392 Cb 1.07 -1.00 0.13 0.00 0.00 0.00 0.00 19.45 19.65 1ptw n ALA 392 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1ptw h GLN 393 N 3.87 0.31 -0.20 0.00 4.15 -1.55 0.09 115.11 121.77 1ptw h GLN 393 Ca 0.00 -0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.28 1ptw h GLN 393 Cb 1.55 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 29.16 1ptw h GLN 393 CO 0.28 0.20 -0.40 -0.44 -1.93 0.00 0.00 178.83 176.54 1ptw h ASP 394 N 0.31 0.50 -0.06 -0.69 3.32 -1.83 -0.48 116.42 117.50 1ptw h ASP 394 Ca 0.34 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1ptw h ASP 394 Cb 0.51 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 1ptw h ASP 394 CO -0.40 0.85 0.01 0.40 -1.72 0.00 0.00 179.24 178.38 1ptw h ILE 395 N 0.39 1.20 -0.43 0.35 2.04 -1.62 -1.19 117.51 118.25 1ptw h ILE 395 Ca 0.03 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 1ptw h ILE 395 Cb 0.88 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.43 1ptw h ILE 395 CO 0.07 0.16 0.22 0.25 0.00 0.00 0.00 178.15 178.86 1ptw h LEU 396 N -0.13 0.52 -0.42 1.44 5.85 -0.85 -1.92 115.31 119.81 1ptw h LEU 396 Ca 0.02 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 1ptw h LEU 396 Cb 0.25 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1ptw h LEU 396 CO 0.00 0.44 -0.11 0.44 -0.34 0.00 0.00 178.44 178.87 1ptw h ASP 397 N 0.60 0.82 -0.39 1.25 5.19 -0.79 -2.71 116.42 120.39 1ptw h ASP 397 Ca 0.15 -0.37 -0.08 0.00 -0.62 0.00 0.00 57.03 56.11 1ptw h ASP 397 Cb 0.04 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.30 1ptw h ASP 397 CO -0.02 1.00 -0.05 0.74 -3.12 0.00 0.00 179.24 177.79 1ptw h THR 398 N 0.63 1.25 0.22 0.35 2.02 -0.76 -2.18 112.91 114.44 1ptw h THR 398 Ca 0.10 -1.08 0.01 0.00 0.77 0.00 0.00 66.41 66.21 1ptw h THR 398 Cb 0.64 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 1ptw h THR 398 CO 0.04 0.38 -0.29 0.25 0.37 0.00 0.00 175.52 176.27 1ptw h LEU 399 N 0.74 -0.80 -1.43 2.58 5.85 -1.22 -0.44 115.31 120.59 1ptw h LEU 399 Ca 0.14 0.08 0.09 0.00 0.84 0.00 0.00 57.88 59.03 1ptw h LEU 399 Cb 0.52 0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 1ptw h LEU 399 CO 0.03 -0.40 0.48 -0.33 -0.34 0.00 0.00 178.44 177.88 1ptw h GLU 400 N -0.56 0.63 -0.43 1.25 5.08 -1.30 0.10 114.58 119.34 1ptw h GLU 400 Ca 0.01 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 1ptw h GLU 400 Cb 0.55 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1ptw h GLU 400 CO -0.11 0.41 -0.21 -0.44 -1.00 0.00 0.00 179.01 177.67 1ptw h ASP 401 N 0.64 0.92 0.25 1.42 3.32 -0.81 -2.40 116.42 119.77 1ptw h ASP 401 Ca 0.34 -0.40 -0.08 0.00 0.02 0.00 0.00 57.03 56.90 1ptw h ASP 401 Cb 0.46 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1ptw h ASP 401 CO -0.12 1.12 -0.34 0.78 -1.72 0.00 0.00 179.24 178.96 1ptw h ASN 402 N 0.72 0.14 -0.03 6.45 2.35 0.60 -1.63 115.58 124.18 1ptw h ASN 402 Ca 0.09 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1ptw h ASN 402 Cb 0.78 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.11 1ptw h ASN 402 CO 0.06 0.48 0.00 -0.09 -1.65 0.00 0.00 177.43 176.24 1ptw h ARG 403 N 0.12 0.05 0.00 0.81 1.12 -0.70 -2.65 114.38 113.14 1ptw h ARG 403 Ca 0.02 -0.01 -0.03 0.00 -1.11 0.00 0.00 59.98 58.84 1ptw h ARG 403 Cb 0.67 -0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.62 1ptw h ARG 403 CO 0.05 0.32 -0.14 0.93 -3.11 0.00 0.00 179.97 178.03 1ptw h GLU 404 N -0.23 0.00 -0.21 0.20 5.08 -1.27 -1.63 114.58 116.51 1ptw h GLU 404 Ca 0.01 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 1ptw h GLU 404 Cb 0.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1ptw h GLU 404 CO 0.00 0.14 -0.25 2.35 -1.00 0.00 0.00 179.01 180.25 1ptw h TRP 405 N 0.00 0.66 0.00 4.33 7.01 -1.02 -2.36 115.95 124.57 1ptw h TRP 405 Ca -0.00 -0.21 -0.09 0.00 2.11 0.00 0.00 58.89 60.70 1ptw h TRP 405 Cb 0.38 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.29 1ptw h TRP 405 CO 0.00 0.90 -0.45 1.88 -2.79 0.00 0.00 178.44 177.99 1ptw h TYR 406 N 0.23 0.00 -0.66 2.65 0.05 -1.16 -2.80 116.97 115.29 1ptw h TYR 406 Ca 0.03 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.82 1ptw h TYR 406 Cb 0.81 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.51 1ptw h TYR 406 CO 0.08 0.45 0.43 0.37 -1.05 0.00 0.00 178.16 178.43 1ptw h GLN 407 N 0.00 0.83 0.00 4.88 5.75 -1.10 -0.82 115.11 124.65 1ptw h GLN 407 Ca -0.00 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1ptw h GLN 407 Cb 0.88 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 29.24 1ptw h GLN 407 CO 0.06 0.55 0.00 -1.13 -2.65 0.00 0.00 178.83 175.66 1ptw n SER 408 N -4.65 0.00 -0.08 -0.69 3.41 -0.91 -3.19 113.62 107.52 1ptw n SER 408 Ca 0.06 -1.23 -0.07 0.00 -0.26 0.00 0.00 58.87 57.37 1ptw n SER 408 Cb 0.04 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.85 1ptw n SER 408 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1ptw n THR 409 N -0.87 1.05 -1.54 6.66 -1.04 -0.38 -4.96 114.28 113.20 1ptw n THR 409 Ca 0.17 -0.69 -0.52 0.00 -2.04 0.00 0.00 64.05 60.97 1ptw n THR 409 Cb 0.08 -0.49 -0.07 0.00 -1.82 0.00 0.00 70.33 68.03 1ptw n THR 409 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1ptw n ILE 410 N -2.58 0.27 -2.86 12.58 5.41 -0.81 -4.92 119.36 126.44 1ptw n ILE 410 Ca -0.25 -0.19 -0.41 0.00 1.00 0.00 0.00 62.75 62.90 1ptw n ILE 410 Cb 1.00 -1.56 -0.04 0.00 -0.71 0.00 0.00 39.64 38.33 1ptw n ILE 410 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1ptw s PRO 411 N 5.31 4.36 0.00 0.38 0.04 -1.26 -5.08 135.00 138.75 1ptw s PRO 411 Ca 1.05 1.10 0.29 0.00 0.04 0.00 0.00 61.00 63.48 1ptw s PRO 411 Cb -0.89 -3.54 1.25 0.00 0.04 0.00 0.00 34.50 31.36 1ptw s PRO 411 CO 0.54 -0.24 1.86 1.04 0.04 0.00 0.00 177.00 180.23