#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aj5 h GLU 99 N 0.00 -1.05 -0.66 3.44 4.81 -2.07 -3.09 114.58 115.96 1aj5 h GLU 99 Ca 0.00 0.07 0.13 0.00 -0.13 0.00 0.00 59.36 59.43 1aj5 h GLU 99 Cb 0.00 0.24 -0.04 0.00 0.63 0.00 0.00 28.75 29.58 1aj5 h GLU 99 CO 0.00 -0.70 0.44 0.93 -0.73 0.00 0.00 179.01 178.96 1aj5 h GLU 100 N -1.11 0.36 -0.08 1.92 3.07 -2.04 0.24 114.58 116.94 1aj5 h GLU 100 Ca -0.11 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.69 1aj5 h GLU 100 Cb 0.84 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.66 1aj5 h GLU 100 CO 0.18 0.24 -0.13 0.00 -1.40 0.00 0.00 179.01 177.90 1aj5 h ARG 101 N 0.37 0.12 -0.13 2.33 3.08 -1.98 -1.27 114.38 116.91 1aj5 h ARG 101 Ca 0.31 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.28 1aj5 h ARG 101 Cb 0.72 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.75 1aj5 h ARG 101 CO -0.09 0.26 -0.14 1.96 -1.07 0.00 0.00 179.97 180.89 1aj5 h GLN 102 N 0.12 0.32 0.00 0.04 4.20 -0.91 -2.56 115.11 116.31 1aj5 h GLN 102 Ca 0.03 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 1aj5 h GLN 102 Cb 0.31 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 1aj5 h GLN 102 CO 0.02 0.73 -0.12 0.74 -0.67 0.00 0.00 178.83 179.53 1aj5 h PHE 103 N -0.07 0.00 -0.19 2.96 0.04 -1.25 -1.49 116.94 116.94 1aj5 h PHE 103 Ca 0.02 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 1aj5 h PHE 103 Cb 0.67 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.82 1aj5 h PHE 103 CO 0.09 0.12 0.02 -0.09 -0.60 0.00 0.00 178.31 177.84 1aj5 h ARG 104 N 0.00 0.32 -0.22 1.51 2.43 -1.02 0.13 114.38 117.52 1aj5 h ARG 104 Ca -0.00 -0.09 0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1aj5 h ARG 104 Cb 0.24 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.70 1aj5 h ARG 104 CO 0.01 0.49 -0.12 0.87 -1.51 0.00 0.00 179.97 179.71 1aj5 h LYS 105 N 0.09 -0.10 -1.00 0.20 1.57 -0.89 0.23 116.57 116.66 1aj5 h LYS 105 Ca 0.06 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.88 1aj5 h LYS 105 Cb 0.34 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.61 1aj5 h LYS 105 CO 0.01 -0.07 0.66 -0.07 -0.57 0.00 0.00 179.45 179.40 1aj5 h LEU 106 N -0.11 1.09 -0.99 2.94 3.38 -1.20 0.25 115.31 120.68 1aj5 h LEU 106 Ca 0.12 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1aj5 h LEU 106 Cb 0.29 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1aj5 h LEU 106 CO -0.29 0.74 0.21 -0.26 0.09 0.00 0.00 178.44 178.94 1aj5 h PHE 107 N 1.26 0.96 -0.05 1.13 -1.00 0.42 -1.38 116.94 118.29 1aj5 h PHE 107 Ca 0.40 -0.08 -0.14 0.00 2.81 0.00 0.00 57.97 60.97 1aj5 h PHE 107 Cb 0.01 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 39.27 1aj5 h PHE 107 CO -0.00 0.76 -0.58 0.28 -1.61 0.00 0.00 178.31 177.16 1aj5 h VAL 108 N 0.91 1.39 0.00 -0.55 2.07 0.05 0.15 116.25 120.28 1aj5 h VAL 108 Ca 0.21 -1.94 0.00 0.00 0.82 0.00 0.00 66.70 65.79 1aj5 h VAL 108 Cb 0.24 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1aj5 h VAL 108 CO -0.01 0.57 0.00 1.56 0.02 0.00 0.00 177.57 179.71 1aj5 h GLN 109 N 0.13 0.00 0.01 1.57 4.20 -0.33 -1.57 115.11 119.11 1aj5 h GLN 109 Ca -0.00 0.00 -0.40 0.00 0.06 0.00 0.00 58.65 58.31 1aj5 h GLN 109 Cb 1.06 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.77 1aj5 h GLN 109 CO 0.09 0.00 -2.46 1.28 -0.67 0.00 0.00 178.83 177.06 1aj5 n LEU 110 N -2.73 2.78 0.00 1.46 4.77 -0.58 -4.80 117.00 117.90 1aj5 n LEU 110 Ca 0.03 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1aj5 n LEU 110 Cb 0.36 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 1aj5 n LEU 110 CO 0.27 0.87 0.07 0.00 -1.33 0.00 0.00 177.39 177.27 1aj5 n ALA 111 N -3.42 1.22 -0.98 -1.18 0.00 0.49 -5.02 120.51 111.62 1aj5 n ALA 111 Ca -0.47 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1aj5 n ALA 111 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.42 1aj5 n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aj5 n GLY 112 N 0.26 3.47 0.22 0.00 0.00 -0.59 -1.91 105.19 106.64 1aj5 n GLY 112 Ca 0.00 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 45.94 1aj5 n GLY 112 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1aj5 h ASP 113 N 1.38 0.00 -0.09 1.61 5.19 -1.92 -1.46 116.42 121.12 1aj5 h ASP 113 Ca 0.00 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.44 1aj5 h ASP 113 Cb 0.00 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 1aj5 h ASP 113 CO 0.00 0.24 0.07 0.44 -3.12 0.00 0.00 179.24 176.87 1aj5 h ASP 114 N 0.00 0.00 -5.04 6.45 5.19 -1.78 -3.45 116.42 117.79 1aj5 h ASP 114 Ca -0.00 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.25 1aj5 h ASP 114 Cb 0.47 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.93 1aj5 h ASP 114 CO 0.03 0.00 -0.22 0.23 -3.12 0.00 0.00 179.24 176.16 1aj5 n MET 115 N -4.32 -2.64 -4.33 3.56 2.81 -0.55 -4.92 117.12 106.73 1aj5 n MET 115 Ca -0.01 0.19 -0.31 0.00 -1.81 0.00 0.00 57.70 55.76 1aj5 n MET 115 Cb 0.18 -4.74 -0.16 0.00 -0.71 0.00 0.00 33.22 27.79 1aj5 n MET 115 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1aj5 s GLU 116 N -5.35 2.59 0.17 0.03 2.02 -1.26 -3.23 118.70 113.67 1aj5 s GLU 116 Ca 0.13 -0.69 -0.07 0.00 0.02 0.00 0.00 54.97 54.36 1aj5 s GLU 116 Cb -0.07 -2.22 -0.06 0.00 0.10 0.00 0.00 34.13 31.88 1aj5 s GLU 116 CO 0.16 -0.13 0.44 0.08 0.02 0.00 0.00 175.26 175.84 1aj5 s VAL 117 N 1.14 5.07 0.59 2.63 1.01 -0.28 -4.61 120.40 125.95 1aj5 s VAL 117 Ca -0.01 0.25 -0.00 0.00 0.00 0.00 0.00 61.98 62.22 1aj5 s VAL 117 Cb -0.14 -3.63 0.05 0.00 0.00 0.00 0.00 36.38 32.66 1aj5 s VAL 117 CO -0.06 0.03 0.84 -0.94 0.00 0.00 0.00 175.10 174.97 1aj5 s SER 118 N -2.31 5.10 0.18 3.32 1.04 -1.26 0.07 113.70 119.83 1aj5 s SER 118 Ca 0.42 0.02 -0.13 0.00 0.48 0.00 0.00 55.95 56.74 1aj5 s SER 118 Cb -0.12 -0.81 0.08 0.00 0.10 0.00 0.00 66.02 65.27 1aj5 s SER 118 CO 0.22 -1.30 1.82 0.00 0.98 0.00 0.00 173.24 174.97 1aj5 h ALA 119 N -0.10 0.74 -0.37 5.32 0.00 -1.86 0.59 119.26 123.57 1aj5 h ALA 119 Ca -0.42 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1aj5 h ALA 119 Cb 1.30 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1aj5 h ALA 119 CO 0.52 0.22 0.13 1.15 0.00 0.00 0.00 179.25 181.27 1aj5 h THR 120 N 0.78 1.20 -0.65 0.00 2.02 -1.92 -0.26 112.91 114.08 1aj5 h THR 120 Ca 0.21 -0.64 -0.02 0.00 0.77 0.00 0.00 66.41 66.73 1aj5 h THR 120 Cb -0.02 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 1aj5 h THR 120 CO -0.04 0.22 0.32 -0.33 0.37 0.00 0.00 175.52 176.06 1aj5 h GLU 121 N 0.45 0.92 -0.42 6.66 5.08 -1.89 -2.02 114.58 123.36 1aj5 h GLU 121 Ca 0.12 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1aj5 h GLU 121 Cb 0.22 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1aj5 h GLU 121 CO -0.01 0.73 0.20 1.25 -1.00 0.00 0.00 179.01 180.18 1aj5 h LEU 122 N 0.89 0.55 -0.64 1.33 5.85 -0.72 -2.02 115.31 120.55 1aj5 h LEU 122 Ca 0.22 -0.14 0.10 0.00 0.84 0.00 0.00 57.88 58.90 1aj5 h LEU 122 Cb 0.10 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 40.92 1aj5 h LEU 122 CO -0.03 0.53 0.26 -0.03 -0.34 0.00 0.00 178.44 178.84 1aj5 h MET 123 N 0.54 0.44 -0.59 1.25 4.05 -0.69 -0.19 114.93 119.75 1aj5 h MET 123 Ca 0.14 -0.03 -0.10 0.00 -0.28 0.00 0.00 59.70 59.44 1aj5 h MET 123 Cb 0.13 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.81 1aj5 h MET 123 CO -0.02 0.29 -0.02 -0.91 0.23 0.00 0.00 176.91 176.48 1aj5 h ASN 124 N 0.46 1.02 -0.20 1.39 2.35 -1.08 -1.01 115.58 118.51 1aj5 h ASN 124 Ca 0.32 -0.30 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1aj5 h ASN 124 Cb 0.39 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1aj5 h ASN 124 CO -0.30 1.08 0.08 0.40 -1.65 0.00 0.00 177.43 177.03 1aj5 h ILE 125 N 0.94 1.17 -0.51 2.81 2.04 -0.60 -2.64 117.51 120.71 1aj5 h ILE 125 Ca 0.16 -0.50 -0.11 0.00 1.00 0.00 0.00 64.86 65.41 1aj5 h ILE 125 Cb 0.57 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 1aj5 h ILE 125 CO 0.03 0.16 -0.11 -0.07 0.00 0.00 0.00 178.15 178.16 1aj5 h LEU 126 N 0.16 0.95 -1.27 1.44 3.38 -0.97 -3.14 115.31 115.86 1aj5 h LEU 126 Ca 0.06 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 1aj5 h LEU 126 Cb 0.18 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1aj5 h LEU 126 CO -0.00 1.07 -0.36 0.78 0.09 0.00 0.00 178.44 180.01 1aj5 h ASN 127 N 0.85 0.00 -0.48 -0.43 2.35 -1.14 -1.14 115.58 115.60 1aj5 h ASN 127 Ca 0.13 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 1aj5 h ASN 127 Cb 0.66 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.00 1aj5 h ASN 127 CO 0.05 0.36 0.18 0.11 -1.65 0.00 0.00 177.43 176.48 1aj5 h LYS 128 N 0.00 0.77 0.01 0.81 1.57 -1.41 -0.37 116.57 117.95 1aj5 h LYS 128 Ca -0.00 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1aj5 h LYS 128 Cb 0.66 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1aj5 h LYS 128 CO 0.05 0.65 -0.00 0.28 -0.57 0.00 0.00 179.45 179.86 1aj5 h VAL 129 N 0.76 1.43 0.11 0.50 2.07 -1.56 -3.26 116.25 116.28 1aj5 h VAL 129 Ca 0.18 -1.99 -0.29 0.00 0.82 0.00 0.00 66.70 65.42 1aj5 h VAL 129 Cb 0.19 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 1aj5 h VAL 129 CO -0.01 0.47 -1.46 -0.37 0.02 0.00 0.00 177.57 176.22 1aj5 h VAL 130 N -0.96 1.23 -0.04 2.57 -1.51 -1.26 -3.34 116.25 112.94 1aj5 h VAL 130 Ca -0.00 -2.88 -0.08 0.00 -1.23 0.00 0.00 66.70 62.51 1aj5 h VAL 130 Cb 0.78 2.78 -0.01 0.00 -2.13 0.00 0.00 31.29 32.71 1aj5 h VAL 130 CO 0.00 0.83 -0.37 0.74 -1.23 0.00 0.00 177.57 177.54 1aj5 h THR 131 N 0.06 1.28 -2.08 7.19 2.02 -1.26 -3.09 112.91 117.04 1aj5 h THR 131 Ca -0.21 -1.32 -0.74 0.00 0.77 0.00 0.00 66.41 64.92 1aj5 h THR 131 Cb 1.99 1.66 -0.31 0.00 -1.74 0.00 0.00 68.15 69.75 1aj5 h THR 131 CO 0.16 0.38 0.57 0.54 0.37 0.00 0.00 175.52 177.55 1aj5 n ARG 132 N -4.09 3.96 -3.92 6.66 3.00 -1.23 -4.92 116.66 116.13 1aj5 n ARG 132 Ca -0.02 -4.30 -0.28 0.00 -0.01 0.00 0.00 57.85 53.25 1aj5 n ARG 132 Cb 0.42 -2.34 -0.17 0.00 0.00 0.00 0.00 32.46 30.37 1aj5 n ARG 132 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 1aj5 s HIS 133 N -4.02 1.66 0.66 -1.55 2.46 -1.17 -4.89 115.29 108.44 1aj5 s HIS 133 Ca 0.46 -0.93 0.40 0.00 0.47 0.00 0.00 55.06 55.45 1aj5 s HIS 133 Cb 0.31 -1.31 2.18 0.00 -0.13 0.00 0.00 32.58 33.63 1aj5 s HIS 133 CO -0.24 -0.57 2.25 -1.00 -2.47 0.00 0.00 174.74 172.71 1aj5 h PRO 134 N 8.14 0.00 -0.00 2.88 0.13 -1.92 -2.66 132.00 138.57 1aj5 h PRO 134 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1aj5 h PRO 134 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1aj5 h PRO 134 CO 0.42 0.00 -0.53 -0.25 -0.23 0.00 0.00 178.00 177.41 1aj5 n ASP 135 N -3.11 0.59 0.10 1.44 8.00 -1.26 -4.75 116.55 117.57 1aj5 n ASP 135 Ca -0.02 -0.80 -0.18 0.00 0.71 0.00 0.00 54.79 54.50 1aj5 n ASP 135 Cb 0.16 0.97 -0.14 0.00 -0.02 0.00 0.00 41.12 42.08 1aj5 n ASP 135 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1aj5 h LEU 136 N 0.08 0.50 -2.85 0.64 3.38 -1.79 -3.47 115.31 111.80 1aj5 h LEU 136 Ca 0.00 -0.58 -0.25 0.00 0.09 0.00 0.00 57.88 57.14 1aj5 h LEU 136 Cb 0.28 -0.16 0.06 0.00 0.09 0.00 0.00 40.66 40.93 1aj5 h LEU 136 CO 0.00 1.46 -0.60 0.29 0.09 0.00 0.00 178.44 179.68 1aj5 n LYS 137 N -3.55 -1.49 -3.89 1.13 4.01 -1.26 -4.67 118.16 108.44 1aj5 n LYS 137 Ca -0.13 0.97 -0.10 0.00 -0.51 0.00 0.00 58.31 58.55 1aj5 n LYS 137 Cb 1.05 -4.74 -0.09 0.00 -0.51 0.00 0.00 35.03 30.74 1aj5 n LYS 137 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 1aj5 s THR 138 N -3.20 0.12 -1.73 -0.18 -1.32 -1.26 -4.73 115.64 103.34 1aj5 s THR 138 Ca 0.22 -1.01 0.27 0.00 -1.21 0.00 0.00 61.69 59.96 1aj5 s THR 138 Cb -0.06 -0.89 0.34 0.00 -1.51 0.00 0.00 72.50 70.38 1aj5 s THR 138 CO 0.80 -0.56 1.67 0.47 -2.21 0.00 0.00 174.62 174.80 1aj5 n ASP 139 N 0.75 0.85 0.00 8.08 8.00 -1.26 -4.71 116.55 128.26 1aj5 n ASP 139 Ca -0.19 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.52 1aj5 n ASP 139 Cb 0.59 0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 1aj5 n ASP 139 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1aj5 n GLY 140 N 1.32 1.43 3.73 0.44 0.00 -1.26 -4.89 105.19 105.95 1aj5 n GLY 140 Ca 0.13 -1.98 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 1aj5 n GLY 140 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aj5 s PHE 141 N -2.17 3.48 0.57 1.61 0.08 -1.26 -5.04 117.98 115.26 1aj5 s PHE 141 Ca 0.00 1.45 -0.07 0.00 0.12 0.00 0.00 56.93 58.43 1aj5 s PHE 141 Cb 0.00 -3.38 -0.01 0.00 -0.57 0.00 0.00 43.02 39.06 1aj5 s PHE 141 CO 0.00 -1.02 0.90 0.20 -0.10 0.00 0.00 175.22 175.20 1aj5 s GLY 142 N 0.27 1.58 0.42 4.36 0.00 -1.26 -4.91 107.32 107.78 1aj5 s GLY 142 Ca 0.53 -0.52 0.09 0.00 0.00 0.00 0.00 44.72 44.82 1aj5 s GLY 142 CO 0.34 -0.27 2.05 1.19 0.00 0.00 0.00 173.10 176.42 1aj5 h ILE 143 N -0.13 1.06 -0.01 0.90 6.09 -1.96 -0.91 117.51 122.55 1aj5 h ILE 143 Ca -0.46 -0.17 -0.00 0.00 -1.37 0.00 0.00 64.86 62.86 1aj5 h ILE 143 Cb 1.23 0.52 -0.00 0.00 0.47 0.00 0.00 36.82 39.04 1aj5 h ILE 143 CO 0.61 0.09 0.00 -0.78 -3.07 0.00 0.00 178.15 175.01 1aj5 h ASP 144 N 0.49 0.01 -0.82 2.19 3.58 -1.98 0.45 116.42 120.34 1aj5 h ASP 144 Ca 0.16 -0.08 0.04 0.00 0.42 0.00 0.00 57.03 57.57 1aj5 h ASP 144 Cb 0.05 -0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.05 1aj5 h ASP 144 CO -0.04 0.09 0.52 0.74 -2.88 0.00 0.00 179.24 177.67 1aj5 h THR 145 N -0.07 1.10 -0.90 2.25 2.02 -1.81 -0.98 112.91 114.53 1aj5 h THR 145 Ca 0.00 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1aj5 h THR 145 Cb 0.08 0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 66.46 1aj5 h THR 145 CO -0.00 0.18 0.57 0.00 0.37 0.00 0.00 175.52 176.64 1aj5 h ARG 147 N 1.24 0.40 -0.18 0.00 3.08 0.70 -1.32 114.38 118.30 1aj5 h ARG 147 Ca 0.33 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 1aj5 h ARG 147 Cb -0.09 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1aj5 h ARG 147 CO -0.07 0.78 0.08 0.77 -1.07 0.00 0.00 179.97 180.46 1aj5 h SER 148 N 0.32 0.24 -0.69 7.04 0.02 -0.10 0.23 113.55 120.61 1aj5 h SER 148 Ca 0.02 -0.14 0.05 0.00 -0.84 0.00 0.00 61.79 60.88 1aj5 h SER 148 Cb 0.93 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 63.36 1aj5 h SER 148 CO 0.08 0.32 0.39 0.24 -1.14 0.00 0.00 176.83 176.72 1aj5 h MET 149 N 0.15 0.71 -0.37 3.45 2.86 -0.81 0.38 114.93 121.30 1aj5 h MET 149 Ca 0.06 -0.04 -0.16 0.00 -2.06 0.00 0.00 59.70 57.49 1aj5 h MET 149 Cb 0.15 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 1aj5 h MET 149 CO -0.01 0.47 -0.41 0.28 1.06 0.00 0.00 176.91 178.30 1aj5 h VAL 150 N 0.73 1.27 -0.30 -2.22 2.07 -0.99 -3.02 116.25 113.79 1aj5 h VAL 150 Ca 0.30 -1.59 -0.02 0.00 0.82 0.00 0.00 66.70 66.21 1aj5 h VAL 150 Cb 0.16 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1aj5 h VAL 150 CO -0.17 0.53 0.10 0.00 0.02 0.00 0.00 177.57 178.05 1aj5 h ALA 151 N 0.75 0.39 0.00 1.67 0.00 0.32 -0.26 119.26 122.13 1aj5 h ALA 151 Ca 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1aj5 h ALA 151 Cb 1.01 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1aj5 h ALA 151 CO 0.10 0.01 -0.06 -0.39 0.00 0.00 0.00 179.25 178.90 1aj5 h VAL 152 N 0.32 0.18 0.00 0.00 -1.51 -1.01 -3.05 116.25 111.19 1aj5 h VAL 152 Ca 0.10 -0.58 -0.05 0.00 -1.23 0.00 0.00 66.70 64.95 1aj5 h VAL 152 Cb 0.22 1.48 -0.01 0.00 -2.13 0.00 0.00 31.29 30.85 1aj5 h VAL 152 CO -0.01 0.06 -1.97 0.23 -1.23 0.00 0.00 177.57 174.66 1aj5 n MET 153 N -3.22 0.66 -1.61 5.19 2.81 -1.12 -4.81 117.12 115.02 1aj5 n MET 153 Ca -0.00 -0.15 -0.28 0.00 -1.81 0.00 0.00 57.70 55.46 1aj5 n MET 153 Cb 0.29 -1.55 -0.09 0.00 -0.71 0.00 0.00 33.22 31.17 1aj5 n MET 153 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1aj5 n ASP 154 N -2.35 2.23 -0.06 7.83 2.03 -0.12 -4.75 116.55 121.35 1aj5 n ASP 154 Ca -0.07 -2.61 -0.02 0.00 0.52 0.00 0.00 54.79 52.61 1aj5 n ASP 154 Cb 0.64 -1.51 0.23 0.00 -0.72 0.00 0.00 41.12 39.76 1aj5 n ASP 154 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1aj5 h SER 155 N 10.09 0.63 -2.19 1.67 4.64 -1.87 -3.21 113.55 123.31 1aj5 h SER 155 Ca 0.19 -0.13 -0.69 0.00 -0.47 0.00 0.00 61.79 60.69 1aj5 h SER 155 Cb 0.89 -0.17 -0.35 0.00 -0.31 0.00 0.00 62.40 62.47 1aj5 h SER 155 CO 1.35 0.68 0.17 -0.90 -0.87 0.00 0.00 176.83 177.26 1aj5 n ASP 156 N -4.26 5.91 -2.58 4.97 5.75 -1.26 -4.97 116.55 120.11 1aj5 n ASP 156 Ca 0.02 -3.70 0.00 0.00 -0.01 0.00 0.00 54.79 51.10 1aj5 n ASP 156 Cb 0.25 -0.84 0.00 0.00 -1.03 0.00 0.00 41.12 39.51 1aj5 n ASP 156 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1aj5 n THR 157 N -0.21 0.00 -0.09 2.12 -2.24 -1.21 -4.80 114.28 107.85 1aj5 n THR 157 Ca 0.40 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 62.06 1aj5 n THR 157 Cb 0.35 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.52 1aj5 n THR 157 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1aj5 n THR 158 N -0.68 1.47 0.00 4.28 -2.24 -1.26 -5.00 114.28 110.85 1aj5 n THR 158 Ca 0.00 0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1aj5 n THR 158 Cb 0.00 -2.24 0.00 0.00 -2.10 0.00 0.00 70.33 65.99 1aj5 n THR 158 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aj5 n GLY 159 N 1.53 0.96 3.46 3.38 0.00 -1.26 -5.11 105.19 108.15 1aj5 n GLY 159 Ca -0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 1aj5 n GLY 159 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1aj5 n LYS 160 N 0.00 0.73 -4.38 1.61 5.02 -1.26 -4.67 118.16 115.20 1aj5 n LYS 160 Ca 0.00 -3.54 -0.34 0.00 -2.02 0.00 0.00 58.31 52.41 1aj5 n LYS 160 Cb 0.00 1.28 -0.14 0.00 -0.02 0.00 0.00 35.03 36.14 1aj5 n LYS 160 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1aj5 s LEU 161 N 0.00 2.82 0.66 -0.35 2.96 0.11 -4.63 118.68 120.25 1aj5 s LEU 161 Ca 0.07 -0.34 -0.11 0.00 -0.22 0.00 0.00 54.13 53.53 1aj5 s LEU 161 Cb 0.00 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 45.01 1aj5 s LEU 161 CO 0.05 0.09 1.05 -0.83 -1.32 0.00 0.00 176.35 175.39 1aj5 s GLY 162 N 0.80 1.66 0.23 7.98 0.00 -1.26 -1.13 107.32 115.61 1aj5 s GLY 162 Ca -0.03 -0.04 -0.05 0.00 0.00 0.00 0.00 44.72 44.60 1aj5 s GLY 162 CO 0.01 0.26 1.73 -2.75 0.00 0.00 0.00 173.10 172.35 1aj5 h PHE 163 N -0.52 0.99 -0.37 1.90 3.57 -1.93 0.13 116.94 120.72 1aj5 h PHE 163 Ca -0.44 -0.14 -0.14 0.00 3.53 0.00 0.00 57.97 60.78 1aj5 h PHE 163 Cb 1.20 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 1aj5 h PHE 163 CO 0.63 0.87 -0.33 0.93 -2.23 0.00 0.00 178.31 178.18 1aj5 h GLU 164 N 0.87 0.83 -0.72 1.11 4.39 -1.93 -1.15 114.58 117.98 1aj5 h GLU 164 Ca 0.17 -0.40 -0.05 0.00 0.34 0.00 0.00 59.36 59.42 1aj5 h GLU 164 Cb 0.45 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.07 1aj5 h GLU 164 CO 0.02 1.04 0.27 0.93 -1.16 0.00 0.00 179.01 180.11 1aj5 h GLU 165 N 0.70 1.10 -0.58 2.33 5.08 -1.86 -2.36 114.58 118.98 1aj5 h GLU 165 Ca 0.07 -0.21 0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1aj5 h GLU 165 Cb 0.89 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 1aj5 h GLU 165 CO 0.08 0.91 0.33 0.35 -1.00 0.00 0.00 179.01 179.69 1aj5 h PHE 166 N 1.05 0.62 -0.58 4.33 3.57 -0.32 -2.04 116.94 123.56 1aj5 h PHE 166 Ca 0.24 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.77 1aj5 h PHE 166 Cb 0.24 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 1aj5 h PHE 166 CO 0.02 0.33 0.38 0.87 -2.23 0.00 0.00 178.31 177.68 1aj5 h LYS 167 N 0.65 0.75 -0.05 1.11 1.57 -0.72 0.43 116.57 120.32 1aj5 h LYS 167 Ca 0.24 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1aj5 h LYS 167 Cb 0.08 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1aj5 h LYS 167 CO -0.13 0.50 -0.00 -0.92 -0.57 0.00 0.00 179.45 178.33 1aj5 h TYR 168 N 0.77 -0.00 -0.19 -1.35 5.03 -1.17 0.49 116.97 120.55 1aj5 h TYR 168 Ca 0.21 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.52 1aj5 h TYR 168 Cb -0.08 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.20 1aj5 h TYR 168 CO -0.04 -0.01 0.11 1.25 -1.32 0.00 0.00 178.16 178.16 1aj5 h LEU 169 N 0.02 0.23 -0.04 2.82 5.85 -1.06 -2.65 115.31 120.48 1aj5 h LEU 169 Ca 0.02 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.69 1aj5 h LEU 169 Cb 0.02 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1aj5 h LEU 169 CO -0.04 0.23 -0.06 -0.25 -0.34 0.00 0.00 178.44 177.99 1aj5 h TRP 170 N 0.22 -0.15 0.00 1.25 2.91 0.18 -0.55 115.95 119.82 1aj5 h TRP 170 Ca 0.07 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.08 1aj5 h TRP 170 Cb 0.05 0.07 -0.00 0.00 -0.51 0.00 0.00 29.16 28.77 1aj5 h TRP 170 CO -0.04 -0.09 -0.08 -0.91 -1.03 0.00 0.00 178.44 176.28 1aj5 h ASN 171 N -0.09 0.00 0.17 2.65 -0.26 -0.90 0.86 115.58 118.02 1aj5 h ASN 171 Ca 0.04 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.77 1aj5 h ASN 171 Cb 0.14 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.40 1aj5 h ASN 171 CO -0.09 0.08 -0.08 0.78 -1.06 0.00 0.00 177.43 177.06 1aj5 h ASN 172 N 0.00 -0.20 -0.60 5.81 2.35 -0.97 -0.79 115.58 121.19 1aj5 h ASN 172 Ca -0.00 -0.34 0.01 0.00 -0.55 0.00 0.00 56.30 55.42 1aj5 h ASN 172 Cb 0.24 0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 1aj5 h ASN 172 CO 0.01 0.32 0.39 0.40 -1.65 0.00 0.00 177.43 176.90 1aj5 h ILE 173 N -0.81 1.12 -0.39 2.81 2.04 -0.72 0.10 117.51 121.66 1aj5 h ILE 173 Ca -0.02 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.61 1aj5 h ILE 173 Cb 0.52 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 1aj5 h ILE 173 CO 0.04 0.14 0.16 0.50 0.00 0.00 0.00 178.15 178.99 1aj5 h LYS 174 N 0.78 0.32 -0.06 2.37 3.64 -0.88 0.31 116.57 123.04 1aj5 h LYS 174 Ca 0.23 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1aj5 h LYS 174 Cb -0.05 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1aj5 h LYS 174 CO -0.07 0.21 0.02 -0.22 -2.27 0.00 0.00 179.45 177.12 1aj5 h LYS 175 N 0.33 0.10 0.00 1.90 3.64 -0.64 -2.77 116.57 119.14 1aj5 h LYS 175 Ca 0.17 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 1aj5 h LYS 175 Cb 0.13 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1aj5 h LYS 175 CO -0.16 0.29 -0.33 -1.49 -2.27 0.00 0.00 179.45 175.50 1aj5 h TRP 176 N -0.11 0.00 -0.35 1.91 6.55 -0.55 -2.43 115.95 120.98 1aj5 h TRP 176 Ca 0.02 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.86 1aj5 h TRP 176 Cb 0.24 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.52 1aj5 h TRP 176 CO 0.00 0.33 0.22 0.37 -1.05 0.00 0.00 178.44 178.31 1aj5 h GLN 177 N 0.00 0.47 -0.63 0.49 4.15 -0.23 -0.45 115.11 118.90 1aj5 h GLN 177 Ca -0.00 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.32 1aj5 h GLN 177 Cb 0.58 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.14 1aj5 h GLN 177 CO 0.04 0.34 0.14 0.78 -1.93 0.00 0.00 178.83 178.19 1aj5 h GLY 178 N 0.47 1.08 1.55 2.39 0.00 -1.17 -1.34 103.07 106.05 1aj5 h GLY 178 Ca 0.13 -0.67 -0.07 0.00 0.00 0.00 0.00 47.33 46.72 1aj5 h GLY 178 CO -0.03 0.62 -0.11 -2.22 0.00 0.00 0.00 176.54 174.80 1aj5 h ILE 179 N 0.95 1.23 -0.10 2.60 2.04 -1.15 0.50 117.51 123.59 1aj5 h ILE 179 Ca 0.20 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 1aj5 h ILE 179 Cb 0.36 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1aj5 h ILE 179 CO 0.00 0.34 0.02 0.22 0.00 0.00 0.00 178.15 178.73 1aj5 h TYR 180 N 0.50 0.17 -0.49 1.37 3.20 -0.46 -1.86 116.97 119.40 1aj5 h TYR 180 Ca 0.09 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 1aj5 h TYR 180 Cb 0.50 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 1aj5 h TYR 180 CO 0.02 0.37 0.19 0.87 -1.64 0.00 0.00 178.16 177.97 1aj5 h LYS 181 N -0.07 0.74 -0.80 1.82 1.57 -1.00 0.61 116.57 119.43 1aj5 h LYS 181 Ca 0.03 -0.14 0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1aj5 h LYS 181 Cb 0.29 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.43 1aj5 h LYS 181 CO 0.00 0.66 0.53 -0.09 -0.57 0.00 0.00 179.45 179.98 1aj5 h ARG 182 N 0.65 0.90 0.00 3.15 2.43 -0.82 -2.82 114.38 117.88 1aj5 h ARG 182 Ca 0.16 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1aj5 h ARG 182 Cb 0.20 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1aj5 h ARG 182 CO -0.01 0.60 -0.99 1.19 -1.51 0.00 0.00 179.97 179.25 1aj5 n PHE 183 N -4.47 0.55 -2.16 2.20 3.01 -0.71 -4.04 117.46 111.84 1aj5 n PHE 183 Ca 0.11 0.16 -0.39 0.00 1.01 0.00 0.00 57.45 58.34 1aj5 n PHE 183 Cb 0.17 -0.67 0.00 0.00 -0.01 0.00 0.00 39.48 38.97 1aj5 n PHE 183 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1aj5 n ASP 184 N -2.25 7.58 -0.06 4.37 2.03 0.18 -4.72 116.55 123.68 1aj5 n ASP 184 Ca 0.01 -3.41 -0.08 0.00 0.52 0.00 0.00 54.79 51.83 1aj5 n ASP 184 Cb 0.48 -1.25 -0.01 0.00 -0.72 0.00 0.00 41.12 39.62 1aj5 n ASP 184 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1aj5 h THR 185 N 2.33 0.92 0.00 5.18 2.02 -1.70 -2.06 112.91 119.61 1aj5 h THR 185 Ca 0.60 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.71 1aj5 h THR 185 Cb 0.33 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1aj5 h THR 185 CO 1.30 0.03 0.00 -0.90 0.37 0.00 0.00 175.52 176.32 1aj5 n ASP 186 N -5.05 0.05 -4.03 4.18 5.75 -1.26 -4.89 116.55 111.31 1aj5 n ASP 186 Ca -0.01 -1.65 -0.27 0.00 -0.01 0.00 0.00 54.79 52.84 1aj5 n ASP 186 Cb 0.09 -0.03 -0.04 0.00 -1.03 0.00 0.00 41.12 40.12 1aj5 n ASP 186 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1aj5 n ARG 187 N -0.46 -2.58 0.01 0.11 5.12 -0.77 -4.89 116.66 113.19 1aj5 n ARG 187 Ca 0.00 0.33 0.12 0.00 -1.93 0.00 0.00 57.85 56.36 1aj5 n ARG 187 Cb 0.01 -4.24 0.15 0.00 -1.16 0.00 0.00 32.46 27.22 1aj5 n ARG 187 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1aj5 n SER 188 N -2.93 0.62 0.00 0.55 3.41 -1.26 -4.95 113.62 109.06 1aj5 n SER 188 Ca -0.30 -0.36 0.00 0.00 -0.26 0.00 0.00 58.87 57.95 1aj5 n SER 188 Cb 0.68 0.46 0.00 0.00 -0.26 0.00 0.00 64.21 65.09 1aj5 n SER 188 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1aj5 n GLY 189 N 1.47 0.73 3.10 5.00 0.00 -1.26 -5.06 105.19 109.17 1aj5 n GLY 189 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 1aj5 n GLY 189 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1aj5 s THR 190 N -2.37 0.31 -0.13 2.61 -4.23 -1.26 -4.28 115.64 106.29 1aj5 s THR 190 Ca 0.00 -1.78 -0.01 0.00 -1.18 0.00 0.00 61.69 58.72 1aj5 s THR 190 Cb 0.00 -1.47 -0.02 0.00 1.34 0.00 0.00 72.50 72.34 1aj5 s THR 190 CO 0.00 -0.94 -0.08 -0.63 -0.54 0.00 0.00 174.62 172.43 1aj5 s ILE 191 N -3.70 3.50 0.66 2.99 1.01 0.71 -4.61 121.20 121.76 1aj5 s ILE 191 Ca 0.06 -0.51 -0.09 0.00 0.00 0.00 0.00 60.65 60.11 1aj5 s ILE 191 Cb 0.06 -2.49 0.01 0.00 0.01 0.00 0.00 42.46 40.05 1aj5 s ILE 191 CO -0.08 0.52 1.02 -0.83 0.00 0.00 0.00 174.94 175.57 1aj5 s GLY 192 N 0.14 1.62 0.53 6.18 0.00 -1.26 -1.71 107.32 112.83 1aj5 s GLY 192 Ca -0.04 -0.47 0.35 0.00 0.00 0.00 0.00 44.72 44.57 1aj5 s GLY 192 CO 0.04 -0.13 2.08 1.76 0.00 0.00 0.00 173.10 176.84 1aj5 h SER 193 N -0.47 0.00 1.32 1.64 0.02 -1.90 0.40 113.55 114.56 1aj5 h SER 193 Ca -0.45 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.44 1aj5 h SER 193 Cb 1.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 1aj5 h SER 193 CO 0.63 0.00 -0.71 -1.13 -1.14 0.00 0.00 176.83 174.48 1aj5 h ASN 194 N 0.00 0.00 0.00 3.07 -1.24 -1.93 -3.37 115.58 112.12 1aj5 h ASN 194 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 56.92 1aj5 h ASN 194 Cb 0.03 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.06 1aj5 h ASN 194 CO 0.00 0.22 -1.66 -0.62 -1.29 0.00 0.00 177.43 174.08 1aj5 n GLU 195 N -2.95 1.10 -0.32 6.67 4.71 0.49 -4.69 120.64 125.65 1aj5 n GLU 195 Ca -0.00 -0.07 0.08 0.00 -0.01 0.00 0.00 57.16 57.16 1aj5 n GLU 195 Cb 0.64 -1.29 0.24 0.00 -1.01 0.00 0.00 31.44 30.02 1aj5 n GLU 195 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1aj5 h LEU 196 N 0.00 0.69 -0.68 -4.62 3.38 -0.51 0.02 115.31 113.59 1aj5 h LEU 196 Ca -0.13 0.08 0.06 0.00 0.09 0.00 0.00 57.88 57.98 1aj5 h LEU 196 Cb 1.04 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.68 1aj5 h LEU 196 CO 0.01 0.32 0.38 -0.65 0.09 0.00 0.00 178.44 178.58 1aj5 h PRO 197 N 0.76 0.67 -0.22 1.13 0.11 -1.84 0.46 132.00 133.07 1aj5 h PRO 197 Ca 0.49 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.44 1aj5 h PRO 197 Cb 0.63 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 1aj5 h PRO 197 CO -0.33 0.44 -0.37 0.78 -0.21 0.00 0.00 178.00 178.31 1aj5 h GLY 198 N 0.69 0.54 1.01 -0.55 0.00 -1.52 -1.38 103.07 101.85 1aj5 h GLY 198 Ca 0.31 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1aj5 h GLY 198 CO -0.19 0.47 0.44 0.00 0.00 0.00 0.00 176.54 177.26 1aj5 h ALA 199 N 1.18 0.96 -0.31 3.60 0.00 0.04 -0.06 119.26 124.67 1aj5 h ALA 199 Ca 0.04 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 1aj5 h ALA 199 Cb 0.84 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1aj5 h ALA 199 CO 0.07 0.44 -0.51 0.74 0.00 0.00 0.00 179.25 179.99 1aj5 h PHE 200 N 1.03 1.09 -0.18 0.00 0.04 -0.62 -1.41 116.94 116.90 1aj5 h PHE 200 Ca 0.27 -0.38 -0.01 0.00 2.80 0.00 0.00 57.97 60.66 1aj5 h PHE 200 Cb -0.02 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 37.91 1aj5 h PHE 200 CO -0.01 1.20 0.09 0.93 -0.60 0.00 0.00 178.31 179.93 1aj5 h GLU 201 N 0.68 0.25 -0.43 1.51 4.39 -1.06 -2.13 114.58 117.80 1aj5 h GLU 201 Ca 0.02 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1aj5 h GLU 201 Cb 1.12 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.70 1aj5 h GLU 201 CO 0.12 0.27 0.26 0.00 -1.16 0.00 0.00 179.01 178.49 1aj5 h ALA 202 N 0.97 1.65 0.00 3.43 0.00 -0.96 -1.50 119.26 122.85 1aj5 h ALA 202 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1aj5 h ALA 202 Cb 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1aj5 h ALA 202 CO -0.01 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.55 1aj5 h ALA 203 N 1.70 1.00 0.00 0.00 0.00 -0.84 -3.46 119.26 117.66 1aj5 h ALA 203 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1aj5 h ALA 203 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1aj5 h ALA 203 CO -0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.63 1aj5 n GLY 204 N -0.09 1.92 2.77 0.00 0.00 -0.56 -5.02 105.19 104.21 1aj5 n GLY 204 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 1aj5 n GLY 204 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aj5 s PHE 205 N -2.00 0.69 -0.87 1.61 0.08 -0.84 -5.04 117.98 111.61 1aj5 s PHE 205 Ca 0.00 -0.19 -0.14 0.00 0.12 0.00 0.00 56.93 56.73 1aj5 s PHE 205 Cb 0.00 -0.81 0.22 0.00 -0.57 0.00 0.00 43.02 41.86 1aj5 s PHE 205 CO 0.00 -0.34 0.83 -1.01 -0.10 0.00 0.00 175.22 174.61 1aj5 s HIS 206 N 1.97 3.81 -0.02 0.36 3.76 -1.26 -3.60 115.29 120.31 1aj5 s HIS 206 Ca 0.05 -2.07 -0.16 0.00 -0.15 0.00 0.00 55.06 52.74 1aj5 s HIS 206 Cb -0.12 -3.85 -0.06 0.00 1.11 0.00 0.00 32.58 29.67 1aj5 s HIS 206 CO -0.05 -1.01 0.43 -0.51 -0.85 0.00 0.00 174.74 172.75 1aj5 s LEU 207 N 0.08 4.44 0.45 0.89 1.43 -1.26 -5.07 118.68 119.64 1aj5 s LEU 207 Ca 0.20 0.95 -0.24 0.00 -1.03 0.00 0.00 54.13 54.01 1aj5 s LEU 207 Cb -0.10 -2.62 -0.08 0.00 0.03 0.00 0.00 46.19 43.42 1aj5 s LEU 207 CO -0.09 0.27 1.29 0.21 0.23 0.00 0.00 176.35 178.25 1aj5 s ASN 208 N -0.77 6.07 0.24 2.29 3.84 -1.26 -4.73 114.94 120.62 1aj5 s ASN 208 Ca 0.24 2.61 -0.10 0.00 0.21 0.00 0.00 52.86 55.82 1aj5 s ASN 208 Cb -0.17 -2.63 0.37 0.00 -0.55 0.00 0.00 41.25 38.27 1aj5 s ASN 208 CO 0.13 -1.01 1.60 -0.61 -2.79 0.00 0.00 177.10 174.42 1aj5 h GLN 209 N 2.29 0.02 -0.24 0.43 -0.00 -1.98 0.17 115.11 115.80 1aj5 h GLN 209 Ca -0.50 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.15 1aj5 h GLN 209 Cb 1.26 -0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.72 1aj5 h GLN 209 CO 0.61 0.01 0.16 1.25 0.00 0.00 0.00 178.83 180.86 1aj5 h HIS 210 N 0.02 0.31 -0.39 3.99 2.76 -1.99 0.89 115.15 120.74 1aj5 h HIS 210 Ca 0.39 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.46 1aj5 h HIS 210 Cb 0.64 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.48 1aj5 h HIS 210 CO -0.57 0.21 -0.18 0.82 -1.30 0.00 0.00 177.93 176.90 1aj5 h ILE 211 N 0.32 1.27 -0.30 6.26 1.08 -1.68 -2.26 117.51 122.20 1aj5 h ILE 211 Ca 0.09 -1.27 -0.01 0.00 -0.39 0.00 0.00 64.86 63.28 1aj5 h ILE 211 Cb -0.02 1.16 -0.01 0.00 -3.07 0.00 0.00 36.82 34.88 1aj5 h ILE 211 CO -0.02 0.43 0.15 0.22 -0.69 0.00 0.00 178.15 178.24 1aj5 h TYR 212 N 0.66 0.43 -0.90 1.37 3.20 -0.44 -1.67 116.97 119.62 1aj5 h TYR 212 Ca 0.10 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.98 1aj5 h TYR 212 Cb 0.68 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.76 1aj5 h TYR 212 CO 0.03 0.37 0.59 1.03 -1.64 0.00 0.00 178.16 178.54 1aj5 h SER 213 N 0.36 0.98 0.09 -2.11 0.87 -0.47 -0.74 113.55 112.53 1aj5 h SER 213 Ca 0.10 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1aj5 h SER 213 Cb 0.09 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 1aj5 h SER 213 CO -0.01 0.68 -0.04 0.24 -0.53 0.00 0.00 176.83 177.16 1aj5 h MET 214 N 1.14 -0.11 -0.31 2.24 2.86 -1.14 -1.72 114.93 117.89 1aj5 h MET 214 Ca 0.35 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 58.07 1aj5 h MET 214 Cb -0.01 0.03 -0.08 0.00 0.06 0.00 0.00 31.60 31.60 1aj5 h MET 214 CO -0.10 0.22 -0.26 0.82 1.06 0.00 0.00 176.91 178.66 1aj5 h ILE 215 N -0.46 0.35 -0.19 -1.22 2.04 -0.81 0.21 117.51 117.44 1aj5 h ILE 215 Ca -0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.89 1aj5 h ILE 215 Cb 0.39 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 1aj5 h ILE 215 CO 0.02 0.00 -0.05 0.40 0.00 0.00 0.00 178.15 178.52 1aj5 h ILE 216 N -0.23 0.81 -0.36 -0.67 1.08 -1.17 0.11 117.51 117.08 1aj5 h ILE 216 Ca 0.16 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.63 1aj5 h ILE 216 Cb 0.48 0.81 -0.02 0.00 -3.07 0.00 0.00 36.82 35.02 1aj5 h ILE 216 CO -0.44 0.00 0.23 0.03 -0.69 0.00 0.00 178.15 177.28 1aj5 h ARG 217 N -0.00 0.47 0.02 2.37 3.08 -0.41 0.38 114.38 120.30 1aj5 h ARG 217 Ca 0.09 -0.03 -0.22 0.00 0.07 0.00 0.00 59.98 59.89 1aj5 h ARG 217 Cb 0.14 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 1aj5 h ARG 217 CO -0.19 0.32 -0.96 -0.09 -1.07 0.00 0.00 179.97 177.97 1aj5 h ARG 218 N 0.49 0.30 0.00 0.04 9.65 0.52 -3.39 114.38 121.99 1aj5 h ARG 218 Ca 0.13 -0.35 0.00 0.00 -1.10 0.00 0.00 59.98 58.66 1aj5 h ARG 218 Cb -0.05 0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.64 1aj5 h ARG 218 CO -0.03 1.06 -0.97 0.66 2.80 0.00 0.00 179.97 183.50 1aj5 n TYR 219 N -3.67 0.00 -2.15 2.20 4.01 0.27 -5.02 117.16 112.79 1aj5 n TYR 219 Ca -0.06 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.41 1aj5 n TYR 219 Cb 0.85 -0.12 0.06 0.00 -0.31 0.00 0.00 39.34 39.83 1aj5 n TYR 219 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1aj5 s SER 220 N -2.57 5.04 0.14 7.72 0.01 0.13 -4.75 113.70 119.41 1aj5 s SER 220 Ca 0.00 0.67 0.00 0.00 1.31 0.00 0.00 55.95 57.93 1aj5 s SER 220 Cb 0.07 -1.40 0.00 0.00 0.21 0.00 0.00 66.02 64.90 1aj5 s SER 220 CO 0.43 -1.48 0.00 -0.90 0.41 0.00 0.00 173.24 171.69 1aj5 n ASP 221 N -2.92 0.00 -0.17 2.44 5.68 0.93 -4.87 116.55 117.64 1aj5 n ASP 221 Ca 0.07 -0.40 -0.02 0.00 -0.50 0.00 0.00 54.79 53.94 1aj5 n ASP 221 Cb 0.59 0.00 0.08 0.00 -1.14 0.00 0.00 41.12 40.65 1aj5 n ASP 221 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1aj5 h GLU 222 N 0.00 0.26 0.00 0.11 4.39 -1.99 -1.43 114.58 115.92 1aj5 h GLU 222 Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1aj5 h GLU 222 Cb 0.00 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1aj5 h GLU 222 CO 0.00 0.17 0.00 2.41 -1.16 0.00 0.00 179.01 180.43 1aj5 n THR 223 N -5.10 0.89 -0.32 1.13 -1.04 -1.26 -4.86 114.28 103.73 1aj5 n THR 223 Ca 0.06 0.23 0.00 0.00 -2.04 0.00 0.00 64.05 62.30 1aj5 n THR 223 Cb 0.25 -1.09 0.00 0.00 -1.82 0.00 0.00 70.33 67.68 1aj5 n THR 223 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1aj5 n GLY 224 N 0.02 0.73 3.92 3.41 0.00 -0.54 -4.89 105.19 107.85 1aj5 n GLY 224 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 1aj5 n GLY 224 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1aj5 s ASN 225 N -2.61 6.39 -0.01 1.61 0.01 -1.26 -3.96 114.94 115.11 1aj5 s ASN 225 Ca 0.00 0.60 0.03 0.00 -0.71 0.00 0.00 52.86 52.77 1aj5 s ASN 225 Cb 0.00 -2.09 -0.00 0.00 0.41 0.00 0.00 41.25 39.56 1aj5 s ASN 225 CO 0.00 -0.21 -0.09 -0.32 -1.51 0.00 0.00 177.10 174.97 1aj5 s MET 226 N -3.77 0.81 0.64 -0.60 1.75 -0.69 -0.05 119.30 117.38 1aj5 s MET 226 Ca 0.42 -0.32 0.01 0.00 -1.25 0.00 0.00 55.69 54.55 1aj5 s MET 226 Cb -0.10 -0.77 0.08 0.00 2.84 0.00 0.00 34.83 36.88 1aj5 s MET 226 CO 0.32 0.17 0.89 0.16 -0.65 0.00 0.00 175.02 175.91 1aj5 s ASP 227 N -0.07 4.79 0.17 1.11 1.47 -1.26 -0.21 116.67 122.66 1aj5 s ASP 227 Ca 0.01 -0.25 -0.14 0.00 1.18 0.00 0.00 52.55 53.35 1aj5 s ASP 227 Cb -0.05 -0.35 0.12 0.00 -0.34 0.00 0.00 42.92 42.29 1aj5 s ASP 227 CO -0.00 -1.53 1.76 0.15 0.68 0.00 0.00 175.17 176.23 1aj5 h PHE 228 N -0.23 0.31 0.15 2.11 3.57 -1.83 -1.60 116.94 119.42 1aj5 h PHE 228 Ca -0.38 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.16 1aj5 h PHE 228 Cb 1.28 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.90 1aj5 h PHE 228 CO 0.09 0.13 -0.42 -0.44 -2.23 0.00 0.00 178.31 175.44 1aj5 h ASP 229 N 0.36 -1.22 -0.11 0.41 3.32 -1.93 -1.88 116.42 115.37 1aj5 h ASP 229 Ca 0.20 0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.35 1aj5 h ASP 229 Cb 0.18 0.45 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 1aj5 h ASP 229 CO -0.19 -0.50 -0.03 0.78 -1.72 0.00 0.00 179.24 177.58 1aj5 h ASN 230 N -0.67 0.32 0.27 6.45 4.21 -1.89 -0.18 115.58 124.09 1aj5 h ASN 230 Ca 0.01 -0.05 -0.01 0.00 1.21 0.00 0.00 56.30 57.46 1aj5 h ASN 230 Cb 0.69 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.80 1aj5 h ASN 230 CO -0.22 0.40 -0.13 0.15 -1.29 0.00 0.00 177.43 176.34 1aj5 h PHE 231 N 0.34 -0.33 -0.50 1.19 3.57 -0.90 0.24 116.94 120.55 1aj5 h PHE 231 Ca 0.08 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 1aj5 h PHE 231 Cb 0.28 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 1aj5 h PHE 231 CO 0.01 -0.17 0.08 0.82 -2.23 0.00 0.00 178.31 176.81 1aj5 h ILE 232 N -0.40 1.25 -0.37 1.41 1.08 -1.12 -1.78 117.51 117.58 1aj5 h ILE 232 Ca -0.04 -0.94 0.00 0.00 -0.39 0.00 0.00 64.86 63.50 1aj5 h ILE 232 Cb 0.31 0.89 -0.02 0.00 -3.07 0.00 0.00 36.82 34.93 1aj5 h ILE 232 CO 0.06 0.33 0.24 0.28 -0.69 0.00 0.00 178.15 178.38 1aj5 h SER 233 N 0.71 0.42 -0.60 1.72 0.02 -0.85 0.04 113.55 115.01 1aj5 h SER 233 Ca 0.15 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1aj5 h SER 233 Cb 0.40 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 1aj5 h SER 233 CO 0.01 0.30 0.37 0.00 -1.14 0.00 0.00 176.83 176.38 1aj5 h LEU 235 N 0.82 0.65 -1.02 0.00 3.38 -1.01 -0.45 115.31 117.67 1aj5 h LEU 235 Ca 0.22 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1aj5 h LEU 235 Cb -0.03 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1aj5 h LEU 235 CO -0.04 1.09 0.17 0.58 0.09 0.00 0.00 178.44 180.33 1aj5 h VAL 236 N 0.43 1.23 -0.06 1.22 2.07 -0.86 -0.48 116.25 119.81 1aj5 h VAL 236 Ca -0.00 -0.79 -0.08 0.00 0.82 0.00 0.00 66.70 66.65 1aj5 h VAL 236 Cb 1.15 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1aj5 h VAL 236 CO 0.11 0.30 -0.26 -0.09 0.02 0.00 0.00 177.57 177.66 1aj5 h ARG 237 N 0.85 0.28 -0.32 1.57 2.43 -1.33 -2.09 114.38 115.77 1aj5 h ARG 237 Ca 0.19 -0.22 0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1aj5 h ARG 237 Cb 0.27 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 1aj5 h ARG 237 CO -0.01 0.86 0.16 1.25 -1.51 0.00 0.00 179.97 180.72 1aj5 h LEU 238 N -0.23 0.24 -1.02 3.80 5.85 -0.94 0.18 115.31 123.20 1aj5 h LEU 238 Ca -0.01 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1aj5 h LEU 238 Cb 0.90 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 1aj5 h LEU 238 CO 0.05 0.18 0.45 -0.78 -0.34 0.00 0.00 178.44 178.00 1aj5 h ASP 239 N 0.33 1.02 -0.32 1.25 3.58 -1.14 -1.10 116.42 120.04 1aj5 h ASP 239 Ca 0.13 -0.08 -0.12 0.00 0.42 0.00 0.00 57.03 57.38 1aj5 h ASP 239 Cb 0.05 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.82 1aj5 h ASP 239 CO -0.09 0.82 -0.25 0.00 -2.88 0.00 0.00 179.24 176.84 1aj5 h ALA 240 N 1.35 0.81 -0.12 -0.78 0.00 -0.63 -1.01 119.26 118.88 1aj5 h ALA 240 Ca 0.29 -0.39 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 1aj5 h ALA 240 Cb 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1aj5 h ALA 240 CO -0.05 0.65 -0.59 0.52 0.00 0.00 0.00 179.25 179.77 1aj5 h MET 241 N 0.71 0.40 -0.41 0.00 2.86 -0.27 0.95 114.93 119.17 1aj5 h MET 241 Ca 0.09 -0.27 -0.15 0.00 -2.06 0.00 0.00 59.70 57.31 1aj5 h MET 241 Cb 0.78 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 1aj5 h MET 241 CO 0.06 0.88 -0.34 0.74 1.06 0.00 0.00 176.91 179.32 1aj5 h PHE 242 N 0.30 1.12 -0.62 -0.22 0.04 -1.12 -1.29 116.94 115.16 1aj5 h PHE 242 Ca -0.00 -0.32 -0.10 0.00 2.80 0.00 0.00 57.97 60.35 1aj5 h PHE 242 Cb 1.12 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 39.01 1aj5 h PHE 242 CO 0.04 1.14 0.01 0.00 -0.60 0.00 0.00 178.31 178.89 1aj5 h ARG 243 N 0.79 1.08 -0.29 1.51 3.08 -1.04 -1.80 114.38 117.71 1aj5 h ARG 243 Ca 0.08 -0.34 -0.01 0.00 0.07 0.00 0.00 59.98 59.77 1aj5 h ARG 243 Cb 0.93 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 1aj5 h ARG 243 CO 0.09 1.05 0.13 0.00 -1.07 0.00 0.00 179.97 180.16 1aj5 h ALA 244 N 1.00 0.37 0.54 0.04 0.00 -0.65 -1.53 119.26 119.04 1aj5 h ALA 244 Ca 0.18 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1aj5 h ALA 244 Cb 0.56 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1aj5 h ALA 244 CO 0.03 -0.04 -0.48 0.35 0.00 0.00 0.00 179.25 179.11 1aj5 h PHE 245 N 0.32 -1.30 -1.00 0.00 3.57 -1.13 -2.71 116.94 114.69 1aj5 h PHE 245 Ca 0.10 0.00 0.26 0.00 3.53 0.00 0.00 57.97 61.86 1aj5 h PHE 245 Cb 0.15 0.50 -0.07 0.00 2.79 0.00 0.00 35.95 39.33 1aj5 h PHE 245 CO -0.01 -0.66 0.68 -0.09 -2.23 0.00 0.00 178.31 176.00 1aj5 h ARG 246 N -1.01 0.24 0.00 1.11 2.43 -1.23 0.12 114.38 116.05 1aj5 h ARG 246 Ca -0.06 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 1aj5 h ARG 246 Cb 0.86 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 1aj5 h ARG 246 CO -0.03 0.16 -0.18 0.66 -1.51 0.00 0.00 179.97 179.08 1aj5 h SER 247 N 0.25 0.00 0.06 -3.80 4.64 -0.94 -2.22 113.55 111.54 1aj5 h SER 247 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 1aj5 h SER 247 Cb 1.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 1aj5 h SER 247 CO -0.16 0.18 -0.55 0.18 -0.87 0.00 0.00 176.83 175.61 1aj5 n LEU 248 N -4.28 1.57 0.00 5.97 4.77 0.39 -4.69 117.00 120.74 1aj5 n LEU 248 Ca -0.02 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 1aj5 n LEU 248 Cb 0.24 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1aj5 n LEU 248 CO 0.36 0.31 0.01 -0.67 -1.33 0.00 0.00 177.39 176.07 1aj5 n ASP 249 N -0.51 0.00 0.00 -1.43 2.03 -0.84 -4.79 116.55 111.01 1aj5 n ASP 249 Ca 0.08 0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.42 1aj5 n ASP 249 Cb 0.41 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 1aj5 n ASP 249 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1aj5 n LYS 250 N -0.35 0.00 0.19 -0.67 5.02 -1.23 -4.33 118.16 116.79 1aj5 n LYS 250 Ca 0.00 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.43 1aj5 n LYS 250 Cb 0.00 0.00 0.59 0.00 -0.02 0.00 0.00 35.03 35.60 1aj5 n LYS 250 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 1aj5 h ASN 251 N 0.00 0.00 -0.06 4.39 -1.24 -1.95 -3.46 115.58 113.26 1aj5 h ASN 251 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.98 1aj5 h ASN 251 Cb 0.00 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 1aj5 h ASN 251 CO 0.00 0.00 -0.02 0.61 -1.29 0.00 0.00 177.43 176.73 1aj5 n GLY 252 N -0.11 0.49 0.24 1.57 0.00 -1.26 -4.95 105.19 101.17 1aj5 n GLY 252 Ca 0.01 -0.98 0.14 0.00 0.00 0.00 0.00 46.02 45.18 1aj5 n GLY 252 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1aj5 h THR 253 N 0.00 0.08 0.00 2.61 1.35 -1.90 -3.47 112.91 111.59 1aj5 h THR 253 Ca -0.03 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 1aj5 h THR 253 Cb 0.09 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1aj5 h THR 253 CO 0.04 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 1aj5 n GLY 254 N 0.59 0.55 2.97 5.82 0.00 -1.26 -5.01 105.19 108.85 1aj5 n GLY 254 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 1aj5 n GLY 254 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1aj5 s GLN 255 N -0.07 1.27 0.21 1.61 -1.52 -1.26 -5.15 119.66 114.75 1aj5 s GLN 255 Ca 0.00 -0.29 0.08 0.00 -1.95 0.00 0.00 55.36 53.20 1aj5 s GLN 255 Cb 0.00 -1.12 -0.05 0.00 -0.22 0.00 0.00 33.01 31.62 1aj5 s GLN 255 CO 0.00 0.01 -0.15 0.96 -0.25 0.00 0.00 175.29 175.86 1aj5 s ILE 256 N 0.66 1.80 -0.10 1.08 -4.36 -1.26 -4.88 121.20 114.14 1aj5 s ILE 256 Ca -0.12 -2.23 0.03 0.00 -0.26 0.00 0.00 60.65 58.07 1aj5 s ILE 256 Cb -0.14 -2.07 -0.01 0.00 1.25 0.00 0.00 42.46 41.49 1aj5 s ILE 256 CO 0.02 -0.58 -0.18 -1.10 0.24 0.00 0.00 174.94 173.34 1aj5 s GLN 257 N -3.63 3.00 0.02 0.37 -1.52 -1.26 -5.13 119.66 111.51 1aj5 s GLN 257 Ca 0.23 -0.77 0.02 0.00 -1.95 0.00 0.00 55.36 52.89 1aj5 s GLN 257 Cb -0.01 -2.42 -0.02 0.00 -0.22 0.00 0.00 33.01 30.34 1aj5 s GLN 257 CO 0.07 0.31 -0.07 0.08 -0.25 0.00 0.00 175.29 175.43 1aj5 s VAL 258 N 0.07 0.53 0.42 1.09 1.01 -1.26 -5.09 120.40 117.16 1aj5 s VAL 258 Ca -0.08 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.26 1aj5 s VAL 258 Cb -0.15 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 1aj5 s VAL 258 CO 0.05 -0.15 0.33 0.54 0.00 0.00 0.00 175.10 175.87 1aj5 s ASN 259 N -0.94 4.88 0.37 3.32 2.20 -1.26 -4.95 114.94 118.56 1aj5 s ASN 259 Ca -0.04 -0.84 0.04 0.00 -0.94 0.00 0.00 52.86 51.08 1aj5 s ASN 259 Cb -0.07 -0.53 0.72 0.00 -2.00 0.00 0.00 41.25 39.37 1aj5 s ASN 259 CO 0.00 -0.63 2.02 -0.29 -2.94 0.00 0.00 177.10 175.26 1aj5 h ILE 260 N 1.13 1.13 -0.35 0.54 6.09 -2.01 -0.41 117.51 123.62 1aj5 h ILE 260 Ca -0.42 -0.26 -0.04 0.00 -1.37 0.00 0.00 64.86 62.78 1aj5 h ILE 260 Cb 1.26 0.31 -0.01 0.00 0.47 0.00 0.00 36.82 38.85 1aj5 h ILE 260 CO 0.61 0.14 0.08 -0.61 -3.07 0.00 0.00 178.15 175.29 1aj5 h GLN 261 N 0.75 0.57 -0.64 2.19 4.15 -1.99 -0.76 115.11 119.38 1aj5 h GLN 261 Ca 0.22 -0.14 -0.09 0.00 0.77 0.00 0.00 58.65 59.40 1aj5 h GLN 261 Cb -0.04 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 1aj5 h GLN 261 CO -0.05 0.63 0.06 0.93 -1.93 0.00 0.00 178.83 178.47 1aj5 h GLU 262 N 0.42 1.09 0.68 1.69 5.08 -1.88 -1.37 114.58 120.29 1aj5 h GLU 262 Ca 0.11 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 1aj5 h GLU 262 Cb 0.32 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1aj5 h GLU 262 CO 0.00 1.03 -0.44 2.35 -1.00 0.00 0.00 179.01 180.95 1aj5 h TRP 263 N 1.01 -1.17 -0.80 4.33 2.91 -0.80 -1.68 115.95 119.76 1aj5 h TRP 263 Ca 0.19 -0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.22 1aj5 h TRP 263 Cb 0.50 0.42 -0.04 0.00 -0.51 0.00 0.00 29.16 29.53 1aj5 h TRP 263 CO 0.04 -0.65 0.53 -0.07 -1.03 0.00 0.00 178.44 177.25 1aj5 h LEU 264 N -1.06 0.89 -0.60 0.65 3.38 -1.10 -1.39 115.31 116.08 1aj5 h LEU 264 Ca -0.09 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1aj5 h LEU 264 Cb 0.86 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1aj5 h LEU 264 CO 0.07 0.64 0.20 -0.61 0.09 0.00 0.00 178.44 178.83 1aj5 h GLN 265 N 1.05 0.92 0.00 1.13 4.15 -1.08 0.33 115.11 121.61 1aj5 h GLN 265 Ca 0.30 -0.19 -0.13 0.00 0.77 0.00 0.00 58.65 59.40 1aj5 h GLN 265 Cb -0.07 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.46 1aj5 h GLN 265 CO -0.07 0.81 -0.64 -0.07 -1.93 0.00 0.00 178.83 176.92 1aj5 h LEU 266 N 0.84 0.00 0.00 -2.39 3.38 -0.85 -3.15 115.31 113.15 1aj5 h LEU 266 Ca 0.19 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.80 1aj5 h LEU 266 Cb 0.26 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.94 1aj5 h LEU 266 CO -0.01 0.64 -2.38 0.35 0.09 0.00 0.00 178.44 177.13 1aj5 n THR 267 N -3.38 1.39 0.00 0.22 -2.24 -0.57 -4.58 114.28 105.13 1aj5 n THR 267 Ca 0.01 -0.68 -0.18 0.00 -2.27 0.00 0.00 64.05 60.93 1aj5 n THR 267 Cb 0.74 -0.96 -0.10 0.00 -2.10 0.00 0.00 70.33 67.91 1aj5 n THR 267 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1aj5 h MET 268 N 0.00 0.51 -3.48 -0.78 2.86 -0.49 -3.35 114.93 110.20 1aj5 h MET 268 Ca -0.54 -0.51 -0.71 0.00 -2.06 0.00 0.00 59.70 55.87 1aj5 h MET 268 Cb 2.02 0.14 -0.05 0.00 0.06 0.00 0.00 31.60 33.77 1aj5 h MET 268 CO -0.03 1.15 3.09 0.98 1.06 0.00 0.00 176.91 183.16 1aj5 n TYR 269 N -4.13 3.01 -1.98 -0.22 9.36 -1.19 -5.08 117.16 116.93 1aj5 n TYR 269 Ca -0.10 -2.97 0.00 0.00 3.32 0.00 0.00 57.90 58.16 1aj5 n TYR 269 Cb 0.71 -2.36 0.00 0.00 -0.63 0.00 0.00 39.34 37.05 1aj5 n TYR 269 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95