#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibj s SER 86 N 0.00 3.50 0.10 0.00 0.01 -1.26 -4.82 113.70 111.23 1ibj s SER 86 Ca 0.00 2.32 -0.25 0.00 1.31 0.00 0.00 55.95 59.33 1ibj s SER 86 Cb 0.00 -2.58 -0.11 0.00 0.21 0.00 0.00 66.02 63.53 1ibj s SER 86 CO 0.00 -2.73 1.69 0.58 0.41 0.00 0.00 173.24 173.19 1ibj h VAL 87 N -1.07 0.72 -0.88 3.43 2.07 -2.01 0.10 116.25 118.62 1ibj h VAL 87 Ca -0.46 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.30 1ibj h VAL 87 Cb 1.29 0.72 -0.14 0.00 -1.52 0.00 0.00 31.29 31.64 1ibj h VAL 87 CO 0.45 0.00 0.23 0.28 0.02 0.00 0.00 177.57 178.55 1ibj h SER 88 N -0.25 -0.01 0.99 0.57 0.02 -1.98 0.46 113.55 113.35 1ibj h SER 88 Ca 0.01 0.20 -0.11 0.00 -0.84 0.00 0.00 61.79 61.05 1ibj h SER 88 Cb 0.26 0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 1ibj h SER 88 CO -0.05 -0.16 -0.55 0.74 -1.14 0.00 0.00 176.83 175.67 1ibj h THR 89 N 0.20 1.11 0.06 -2.27 2.02 -1.72 -3.23 112.91 109.08 1ibj h THR 89 Ca 0.55 -2.10 -0.24 0.00 0.77 0.00 0.00 66.41 65.39 1ibj h THR 89 Cb 1.11 2.23 -0.01 0.00 -1.74 0.00 0.00 68.15 69.75 1ibj h THR 89 CO -0.66 0.54 -1.08 0.25 0.37 0.00 0.00 175.52 174.94 1ibj h LEU 90 N 0.00 0.32 -2.18 2.58 5.85 0.17 -3.34 115.31 118.72 1ibj h LEU 90 Ca -0.01 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 1ibj h LEU 90 Cb 1.19 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.12 1ibj h LEU 90 CO 0.07 1.20 -0.02 -0.07 -0.34 0.00 0.00 178.44 179.28 1ibj h LEU 91 N 0.09 0.00 -0.50 2.25 3.38 -0.73 -3.07 115.31 116.71 1ibj h LEU 91 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1ibj h LEU 91 Cb 1.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.53 1ibj h LEU 91 CO 0.17 0.02 -0.60 1.33 0.09 0.00 0.00 178.44 179.45 1ibj n VAL 92 N -3.19 0.00 -2.15 1.22 0.24 -1.25 -4.16 118.33 109.03 1ibj n VAL 92 Ca -0.01 -0.20 -0.40 0.00 -2.04 0.00 0.00 64.34 61.69 1ibj n VAL 92 Cb 0.20 1.12 -0.02 0.00 -1.47 0.00 0.00 33.84 33.67 1ibj n VAL 92 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1ibj s ASN 93 N -2.39 6.61 -0.43 -1.34 2.20 -1.16 -5.01 114.94 113.43 1ibj s ASN 93 Ca 0.11 2.59 -0.03 0.00 -0.94 0.00 0.00 52.86 54.59 1ibj s ASN 93 Cb 0.14 -2.64 0.11 0.00 -2.00 0.00 0.00 41.25 36.87 1ibj s ASN 93 CO 0.59 -0.63 0.22 -0.22 -2.94 0.00 0.00 177.10 174.12 1ibj s LEU 94 N -2.10 5.25 -0.72 3.54 2.96 -1.26 -4.97 118.68 121.39 1ibj s LEU 94 Ca 0.53 -2.10 -0.02 0.00 -0.22 0.00 0.00 54.13 52.32 1ibj s LEU 94 Cb -0.37 -1.83 0.42 0.00 0.50 0.00 0.00 46.19 44.91 1ibj s LEU 94 CO 0.48 -0.53 2.02 -0.90 -1.32 0.00 0.00 176.35 176.11 1ibj n ASP 95 N 4.50 7.63 -4.55 3.68 3.85 -1.26 -4.91 116.55 125.49 1ibj n ASP 95 Ca -0.01 -3.80 -0.41 0.00 -0.71 0.00 0.00 54.79 49.85 1ibj n ASP 95 Cb 0.41 -1.00 -0.03 0.00 -1.35 0.00 0.00 41.12 39.16 1ibj n ASP 95 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.20 176.39 1ibj s ASN 96 N -1.64 6.54 0.10 -1.12 0.01 -1.26 -4.83 114.94 112.75 1ibj s ASN 96 Ca 0.61 -1.59 -0.25 0.00 -0.71 0.00 0.00 52.86 50.91 1ibj s ASN 96 Cb 0.49 -2.56 -0.12 0.00 0.41 0.00 0.00 41.25 39.47 1ibj s ASN 96 CO -0.13 -1.44 1.69 0.11 -1.51 0.00 0.00 177.10 175.81 1ibj h LYS 97 N 9.51 -0.29 -0.24 -0.60 6.56 -2.03 -3.00 116.57 126.48 1ibj h LYS 97 Ca 0.22 0.02 0.07 0.00 -1.06 0.00 0.00 60.65 59.90 1ibj h LYS 97 Cb 1.00 0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 32.71 1ibj h LYS 97 CO 1.41 -0.19 0.48 0.27 -2.06 0.00 0.00 179.45 179.36 1ibj h PHE 98 N -0.30 0.00 -3.49 -1.35 -5.15 -2.02 -3.42 116.94 101.21 1ibj h PHE 98 Ca 0.01 0.00 -0.57 0.00 -0.20 0.00 0.00 57.97 57.21 1ibj h PHE 98 Cb 0.29 0.00 -0.08 0.00 0.22 0.00 0.00 35.95 36.38 1ibj h PHE 98 CO -0.13 0.00 0.88 0.34 -2.00 0.00 0.00 178.31 177.40 1ibj s ASP 99 N -4.64 6.53 0.59 -0.68 2.15 -1.14 -4.91 116.67 114.57 1ibj s ASP 99 Ca -0.03 0.23 0.30 0.00 0.43 0.00 0.00 52.55 53.48 1ibj s ASP 99 Cb 0.11 -2.53 1.82 0.00 -0.30 0.00 0.00 42.92 42.02 1ibj s ASP 99 CO 0.38 -1.31 2.24 1.55 -0.17 0.00 0.00 175.17 177.86 1ibj h PRO 100 N 9.33 0.00 -0.16 4.34 0.13 -1.90 -2.90 132.00 140.84 1ibj h PRO 100 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1ibj h PRO 100 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1ibj h PRO 100 CO 1.13 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 180.09 1ibj n PHE 101 N -3.82 0.19 -4.02 1.56 0.99 -1.26 -5.02 117.46 106.09 1ibj n PHE 101 Ca -0.02 -0.12 -0.29 0.00 -0.00 0.00 0.00 57.45 57.01 1ibj n PHE 101 Cb 0.11 -0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 38.56 1ibj n PHE 101 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1ibj n ASP 102 N 1.13 -0.99 -4.74 4.37 8.00 -1.10 -4.92 116.55 118.30 1ibj n ASP 102 Ca 0.13 -1.10 -0.34 0.00 0.71 0.00 0.00 54.79 54.20 1ibj n ASP 102 Cb 0.50 -2.62 0.07 0.00 -0.02 0.00 0.00 41.12 39.05 1ibj n ASP 102 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ibj s ALA 103 N -3.96 2.27 0.08 2.24 0.00 -1.26 -4.90 121.76 116.23 1ibj s ALA 103 Ca 0.11 0.73 0.19 0.00 0.00 0.00 0.00 51.96 52.99 1ibj s ALA 103 Cb -0.05 -3.40 0.61 0.00 0.00 0.00 0.00 23.12 20.28 1ibj s ALA 103 CO 0.92 -1.61 1.69 0.52 0.00 0.00 0.00 175.76 177.28 1ibj h MET 104 N -0.15 0.00 -6.35 0.00 2.86 -2.02 -3.43 114.93 105.84 1ibj h MET 104 Ca -0.47 0.00 -0.64 0.00 -2.06 0.00 0.00 59.70 56.52 1ibj h MET 104 Cb 1.27 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 32.82 1ibj h MET 104 CO 0.52 0.36 -0.66 0.45 1.06 0.00 0.00 176.91 178.64 1ibj s SER 105 N -6.37 5.01 0.06 1.22 0.15 -1.26 -4.96 113.70 107.55 1ibj s SER 105 Ca 0.01 -0.20 -0.31 0.00 0.70 0.00 0.00 55.95 56.16 1ibj s SER 105 Cb 0.10 -1.18 -0.07 0.00 -1.71 0.00 0.00 66.02 63.15 1ibj s SER 105 CO 0.69 0.16 1.50 -0.89 1.20 0.00 0.00 173.24 175.90 1ibj s THR 106 N -1.36 3.31 0.36 6.45 2.01 -1.26 -4.95 115.64 120.19 1ibj s THR 106 Ca 0.26 0.80 -0.28 0.00 0.31 0.00 0.00 61.69 62.78 1ibj s THR 106 Cb -0.11 -3.52 -0.11 0.00 0.01 0.00 0.00 72.50 68.77 1ibj s THR 106 CO 0.18 0.02 1.46 -2.65 -0.69 0.00 0.00 174.62 172.94 1ibj n PRO 107 N 5.02 2.55 -3.36 4.92 -0.02 -1.26 -4.95 135.00 137.90 1ibj n PRO 107 Ca 0.14 0.90 -0.41 0.00 -2.02 0.00 0.00 63.50 62.11 1ibj n PRO 107 Cb 0.42 -2.60 -0.09 0.00 -0.02 0.00 0.00 33.50 31.21 1ibj n PRO 107 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1ibj s LEU 108 N -1.61 4.37 -1.24 2.45 2.96 -1.26 -4.61 118.68 119.74 1ibj s LEU 108 Ca 0.55 -0.12 -0.14 0.00 -0.22 0.00 0.00 54.13 54.20 1ibj s LEU 108 Cb -0.50 -2.41 0.15 0.00 0.50 0.00 0.00 46.19 43.93 1ibj s LEU 108 CO 0.61 -0.35 1.54 -1.22 -1.32 0.00 0.00 176.35 175.61 1ibj n TYR 109 N 5.46 4.74 -2.90 5.38 4.02 -1.26 -4.90 117.16 127.70 1ibj n TYR 109 Ca -0.08 -3.22 -0.44 0.00 -0.01 0.00 0.00 57.90 54.15 1ibj n TYR 109 Cb 0.49 -2.25 -0.01 0.00 -0.02 0.00 0.00 39.34 37.55 1ibj n TYR 109 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 1ibj s GLN 110 N 1.92 3.91 0.19 -0.72 2.00 -1.26 -4.83 119.66 120.88 1ibj s GLN 110 Ca 0.44 -2.22 -0.09 0.00 -2.00 0.00 0.00 55.36 51.49 1ibj s GLN 110 Cb -0.00 -5.07 -0.01 0.00 0.80 0.00 0.00 33.01 28.73 1ibj s GLN 110 CO 0.01 -1.82 0.33 -0.08 -0.50 0.00 0.00 175.29 173.23 1ibj s THR 111 N 2.26 0.04 -0.15 -0.34 -1.32 -1.26 -5.08 115.64 109.78 1ibj s THR 111 Ca 0.41 -1.44 -0.04 0.00 -1.21 0.00 0.00 61.69 59.41 1ibj s THR 111 Cb -0.03 -2.01 -0.08 0.00 -1.51 0.00 0.00 72.50 68.87 1ibj s THR 111 CO -0.03 -0.17 -0.17 0.00 -2.21 0.00 0.00 174.62 172.04 1ibj n ALA 112 N -0.27 1.85 -2.53 11.08 0.00 -1.26 -4.70 120.51 124.67 1ibj n ALA 112 Ca -0.05 -0.62 -0.25 0.00 0.00 0.00 0.00 53.44 52.52 1ibj n ALA 112 Cb 0.63 0.24 -0.10 0.00 0.00 0.00 0.00 19.45 20.22 1ibj n ALA 112 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ibj s THR 113 N -2.29 2.48 0.11 0.00 -4.23 -1.26 -0.30 115.64 110.15 1ibj s THR 113 Ca -0.21 -2.17 0.08 0.00 -1.18 0.00 0.00 61.69 58.21 1ibj s THR 113 Cb 0.07 -2.63 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 1ibj s THR 113 CO 0.30 -0.26 -0.19 -0.36 -0.54 0.00 0.00 174.62 173.58 1ibj s PHE 114 N -2.54 1.67 0.30 3.99 0.40 -0.35 -4.95 117.98 116.49 1ibj s PHE 114 Ca 0.33 -0.44 -0.28 0.00 -0.60 0.00 0.00 56.93 55.94 1ibj s PHE 114 Cb -0.01 -0.90 -0.09 0.00 0.51 0.00 0.00 43.02 42.53 1ibj s PHE 114 CO 0.17 0.19 1.00 0.15 0.70 0.00 0.00 175.22 177.44 1ibj s LYS 115 N -2.06 4.61 0.36 0.44 1.02 -1.26 -4.79 119.74 118.06 1ibj s LYS 115 Ca 0.07 1.53 -0.10 0.00 0.02 0.00 0.00 55.97 57.49 1ibj s LYS 115 Cb -0.09 -2.99 -0.06 0.00 -0.52 0.00 0.00 37.83 34.16 1ibj s LYS 115 CO 0.04 0.26 0.71 -0.65 -0.92 0.00 0.00 175.35 174.79 1ibj s GLN 116 N -1.72 3.76 0.32 1.68 -1.52 -1.26 -4.78 119.66 116.14 1ibj s GLN 116 Ca 0.47 0.37 0.10 0.00 -1.95 0.00 0.00 55.36 54.35 1ibj s GLN 116 Cb -0.25 -2.46 0.54 0.00 -0.22 0.00 0.00 33.01 30.62 1ibj s GLN 116 CO 0.31 0.05 1.74 -1.00 -0.25 0.00 0.00 175.29 176.14 1ibj h PRO 117 N 1.48 0.11 0.00 2.91 0.13 -1.83 -3.47 132.00 131.33 1ibj h PRO 117 Ca -0.47 -0.05 -0.17 0.00 -0.87 0.00 0.00 66.00 64.43 1ibj h PRO 117 Cb 1.19 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 1ibj h PRO 117 CO 0.65 0.52 0.03 -1.13 -0.23 0.00 0.00 178.00 177.84 1ibj n SER 118 N -4.02 -1.74 0.22 1.44 3.41 -1.23 -5.03 113.62 106.68 1ibj n SER 118 Ca -0.02 -2.75 0.10 0.00 -0.26 0.00 0.00 58.87 55.95 1ibj n SER 118 Cb 0.47 3.06 0.47 0.00 -0.26 0.00 0.00 64.21 67.95 1ibj n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ibj h ALA 119 N 2.02 1.02 0.00 7.33 0.00 -2.03 -3.30 119.26 124.30 1ibj h ALA 119 Ca -0.30 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 1ibj h ALA 119 Cb 1.20 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1ibj h ALA 119 CO 0.39 0.27 -1.78 -0.89 0.00 0.00 0.00 179.25 177.24 1ibj n ILE 120 N -3.38 0.25 -4.44 0.00 5.41 -1.26 -5.02 119.36 110.92 1ibj n ILE 120 Ca 0.00 -0.42 -0.24 0.00 1.00 0.00 0.00 62.75 63.10 1ibj n ILE 120 Cb 0.42 -0.05 -0.13 0.00 -0.71 0.00 0.00 39.64 39.17 1ibj n ILE 120 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1ibj s GLU 121 N -2.89 1.18 0.81 0.38 -1.05 -1.24 -5.14 118.70 110.74 1ibj s GLU 121 Ca -0.06 -0.98 -0.09 0.00 -0.15 0.00 0.00 54.97 53.69 1ibj s GLU 121 Cb 0.08 -1.32 0.13 0.00 -0.44 0.00 0.00 34.13 32.58 1ibj s GLU 121 CO 0.63 0.32 1.13 -0.80 0.95 0.00 0.00 175.26 177.49 1ibj s ASN 122 N -1.45 4.06 0.20 0.83 -0.87 -1.26 -3.50 114.94 112.95 1ibj s ASN 122 Ca 0.05 0.19 0.02 0.00 -1.57 0.00 0.00 52.86 51.56 1ibj s ASN 122 Cb -0.09 -0.55 0.02 0.00 -0.02 0.00 0.00 41.25 40.61 1ibj s ASN 122 CO 0.03 -2.10 0.15 0.61 -2.57 0.00 0.00 177.10 173.22 1ibj n GLY 123 N -3.23 2.92 0.37 0.66 0.00 -1.26 -4.66 105.19 99.98 1ibj n GLY 123 Ca 0.12 -2.22 -0.01 0.00 0.00 0.00 0.00 46.02 43.91 1ibj n GLY 123 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ibj h PRO 124 N 0.00 1.19 -6.77 1.61 0.11 -1.99 -3.42 132.00 122.73 1ibj h PRO 124 Ca -0.13 -0.08 -0.68 0.00 0.11 0.00 0.00 66.00 65.22 1ibj h PRO 124 Cb 0.47 -0.26 -0.24 0.00 0.11 0.00 0.00 31.00 31.07 1ibj h PRO 124 CO 0.20 0.80 -0.87 0.71 -0.21 0.00 0.00 178.00 178.63 1ibj s TYR 125 N -5.98 2.28 0.00 0.65 1.51 -1.26 -5.00 117.35 109.55 1ibj s TYR 125 Ca -0.12 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.54 1ibj s TYR 125 Cb 0.18 -1.30 0.00 0.00 -0.11 0.00 0.00 41.96 40.73 1ibj s TYR 125 CO 0.81 0.22 0.00 -0.40 -1.11 0.00 0.00 175.55 175.07 1ibj n ASP 126 N 1.37 0.27 -3.81 2.29 3.85 -1.26 -4.68 116.55 114.58 1ibj n ASP 126 Ca -0.17 0.00 -0.13 0.00 -0.71 0.00 0.00 54.79 53.77 1ibj n ASP 126 Cb 0.52 0.00 -0.14 0.00 -1.35 0.00 0.00 41.12 40.15 1ibj n ASP 126 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.20 175.72 1ibj s TYR 127 N -1.50 -0.07 0.50 2.11 5.04 -1.26 -1.22 117.35 120.95 1ibj s TYR 127 Ca 0.00 0.23 0.24 0.00 -2.44 0.00 0.00 57.07 55.10 1ibj s TYR 127 Cb 0.00 -0.06 1.47 0.00 0.35 0.00 0.00 41.96 43.72 1ibj s TYR 127 CO 0.00 -0.08 2.13 1.15 -1.34 0.00 0.00 175.55 177.42 1ibj h THR 128 N 5.57 0.73 0.00 4.34 2.02 -0.79 -0.67 112.91 124.11 1ibj h THR 128 Ca -0.34 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.53 1ibj h THR 128 Cb 1.17 1.17 -0.00 0.00 -1.74 0.00 0.00 68.15 68.75 1ibj h THR 128 CO 0.46 0.07 -0.10 -0.09 0.37 0.00 0.00 175.52 176.23 1ibj h ARG 129 N 0.00 0.00 0.09 6.66 2.43 -1.96 -3.06 114.38 118.54 1ibj h ARG 129 Ca -0.00 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.84 1ibj h ARG 129 Cb 0.17 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1ibj h ARG 129 CO 0.01 0.10 -1.78 0.77 -1.51 0.00 0.00 179.97 177.55 1ibj h SER 130 N 0.00 0.31 -3.86 -3.80 0.02 -1.46 -3.41 113.55 101.35 1ibj h SER 130 Ca -0.00 -0.83 0.13 0.00 -0.84 0.00 0.00 61.79 60.25 1ibj h SER 130 Cb 0.32 -0.10 -0.24 0.00 0.14 0.00 0.00 62.40 62.52 1ibj h SER 130 CO 0.01 1.76 0.66 -0.83 -1.14 0.00 0.00 176.83 177.30 1ibj s GLY 131 N -5.36 -0.18 -0.18 -3.77 0.00 -0.94 -4.95 107.32 91.96 1ibj s GLY 131 Ca -0.24 2.21 -0.13 0.00 0.00 0.00 0.00 44.72 46.56 1ibj s GLY 131 CO 0.72 1.02 0.45 0.21 0.00 0.00 0.00 173.10 175.50 1ibj s ASN 132 N -1.15 -0.52 0.29 1.64 3.84 -1.26 -4.02 114.94 113.76 1ibj s ASN 132 Ca 0.02 0.93 0.03 0.00 0.21 0.00 0.00 52.86 54.05 1ibj s ASN 132 Cb -0.01 0.88 0.68 0.00 -0.55 0.00 0.00 41.25 42.25 1ibj s ASN 132 CO -0.01 -0.18 1.73 -0.65 -2.79 0.00 0.00 177.10 175.20 1ibj h PRO 133 N 6.26 0.53 -0.18 0.43 0.11 -1.97 0.83 132.00 138.02 1ibj h PRO 133 Ca -0.31 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.69 1ibj h PRO 133 Cb 1.18 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1ibj h PRO 133 CO 0.25 0.35 -0.17 1.15 -0.21 0.00 0.00 178.00 179.37 1ibj h THR 134 N 0.55 1.34 -0.44 -1.15 2.02 -1.91 -1.74 112.91 111.58 1ibj h THR 134 Ca 0.54 -1.33 -0.06 0.00 0.77 0.00 0.00 66.41 66.33 1ibj h THR 134 Cb 0.92 1.81 -0.02 0.00 -1.74 0.00 0.00 68.15 69.12 1ibj h THR 134 CO -0.44 0.40 0.01 -0.09 0.37 0.00 0.00 175.52 175.77 1ibj h ARG 135 N 0.08 0.71 -0.56 6.66 2.43 -1.80 -2.11 114.38 119.80 1ibj h ARG 135 Ca 0.03 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 58.99 1ibj h ARG 135 Cb 0.71 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.14 1ibj h ARG 135 CO 0.04 0.72 0.21 -0.44 -1.51 0.00 0.00 179.97 179.00 1ibj h ASP 136 N 0.68 0.74 0.11 -3.80 3.32 -0.74 0.27 116.42 117.00 1ibj h ASP 136 Ca 0.14 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 1ibj h ASP 136 Cb 0.40 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1ibj h ASP 136 CO 0.01 0.67 -0.29 0.00 -1.72 0.00 0.00 179.24 177.92 1ibj h ALA 137 N 1.44 1.24 0.01 3.45 0.00 -0.64 -2.01 119.26 122.74 1ibj h ALA 137 Ca 0.19 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1ibj h ALA 137 Cb 0.17 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ibj h ALA 137 CO -0.02 0.51 -0.24 1.25 0.00 0.00 0.00 179.25 180.75 1ibj h LEU 138 N 0.25 0.02 -1.17 0.00 5.85 -1.03 -2.81 115.31 116.42 1ibj h LEU 138 Ca 0.04 -0.92 0.13 0.00 0.84 0.00 0.00 57.88 57.97 1ibj h LEU 138 Cb 0.64 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.59 1ibj h LEU 138 CO 0.05 1.10 0.60 -0.33 -0.34 0.00 0.00 178.44 179.51 1ibj h GLU 139 N -0.97 0.79 -0.12 1.25 5.08 -0.55 -1.80 114.58 118.26 1ibj h GLU 139 Ca -0.06 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.10 1ibj h GLU 139 Cb 1.08 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 1ibj h GLU 139 CO -0.03 0.52 -0.57 1.03 -1.00 0.00 0.00 179.01 178.97 1ibj h SER 140 N 0.81 0.41 -0.37 1.42 0.87 -1.45 -2.53 113.55 112.72 1ibj h SER 140 Ca 0.47 -0.23 -0.15 0.00 -1.23 0.00 0.00 61.79 60.66 1ibj h SER 140 Cb 0.63 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 1ibj h SER 140 CO -0.23 0.89 -0.34 0.25 -0.53 0.00 0.00 176.83 176.87 1ibj h LEU 141 N 0.28 0.93 -1.98 2.23 5.85 -1.12 -3.06 115.31 118.45 1ibj h LEU 141 Ca 0.00 -0.46 -0.02 0.00 0.84 0.00 0.00 57.88 58.24 1ibj h LEU 141 Cb 1.08 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.85 1ibj h LEU 141 CO 0.10 1.20 -0.09 -0.07 -0.34 0.00 0.00 178.44 179.24 1ibj h LEU 142 N 0.68 0.00 0.09 2.25 3.38 -1.27 -0.40 115.31 120.04 1ibj h LEU 142 Ca 0.06 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.75 1ibj h LEU 142 Cb 0.93 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.70 1ibj h LEU 142 CO 0.09 0.09 -1.14 0.00 0.09 0.00 0.00 178.44 177.57 1ibj h ALA 143 N 1.91 0.02 -0.05 1.53 0.00 -1.41 -2.62 119.26 118.64 1ibj h ALA 143 Ca -0.00 -0.74 -0.00 0.00 0.00 0.00 0.00 54.91 54.17 1ibj h ALA 143 Cb 0.32 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ibj h ALA 143 CO 0.01 0.64 0.01 0.87 0.00 0.00 0.00 179.25 180.79 1ibj h LYS 144 N 0.24 0.08 -0.95 0.00 1.57 -1.28 0.90 116.57 117.13 1ibj h LYS 144 Ca -0.17 -0.02 0.20 0.00 -1.87 0.00 0.00 60.65 58.80 1ibj h LYS 144 Cb 1.82 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 34.04 1ibj h LYS 144 CO 0.22 0.27 0.61 -0.07 -0.57 0.00 0.00 179.45 179.91 1ibj h LEU 145 N -0.12 0.52 -1.62 2.94 3.38 -1.12 -1.88 115.31 117.41 1ibj h LEU 145 Ca 0.02 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1ibj h LEU 145 Cb 0.22 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1ibj h LEU 145 CO -0.00 0.19 -0.15 0.47 0.09 0.00 0.00 178.44 179.04 1ibj n ASP 146 N -4.58 2.65 -3.53 -0.43 8.00 -0.99 -4.86 116.55 112.81 1ibj n ASP 146 Ca 0.21 -1.83 -0.19 0.00 0.71 0.00 0.00 54.79 53.69 1ibj n ASP 146 Cb 0.68 0.15 0.07 0.00 -0.02 0.00 0.00 41.12 42.01 1ibj n ASP 146 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1ibj n LYS 147 N 0.89 -6.40 -3.81 -1.24 4.76 0.04 -4.67 118.16 107.73 1ibj n LYS 147 Ca 0.12 0.79 -0.21 0.00 -2.87 0.00 0.00 58.31 56.14 1ibj n LYS 147 Cb 0.55 -5.71 -0.04 0.00 -1.84 0.00 0.00 35.03 27.99 1ibj n LYS 147 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ibj s ALA 148 N -3.42 3.83 0.09 7.82 0.00 0.09 -4.93 121.76 125.24 1ibj s ALA 148 Ca 0.11 -1.71 -0.13 0.00 0.00 0.00 0.00 51.96 50.23 1ibj s ALA 148 Cb -0.05 -1.10 -0.20 0.00 0.00 0.00 0.00 23.12 21.78 1ibj s ALA 148 CO 0.75 -0.02 1.23 -0.44 0.00 0.00 0.00 175.76 177.28 1ibj h ASP 149 N 1.25 0.89 -5.01 0.00 3.32 0.40 -3.44 116.42 113.84 1ibj h ASP 149 Ca -0.44 -0.68 -0.09 0.00 0.02 0.00 0.00 57.03 55.84 1ibj h ASP 149 Cb 1.26 -0.27 -0.19 0.00 0.22 0.00 0.00 39.33 40.35 1ibj h ASP 149 CO 0.59 1.48 -0.08 -0.13 -1.72 0.00 0.00 179.24 179.38 1ibj s ARG 150 N -3.42 0.87 0.12 3.56 0.52 -1.08 -5.02 118.95 114.49 1ibj s ARG 150 Ca -0.10 -0.12 0.10 0.00 -0.52 0.00 0.00 55.73 55.09 1ibj s ARG 150 Cb 0.07 0.39 -0.04 0.00 0.52 0.00 0.00 34.95 35.90 1ibj s ARG 150 CO 0.91 -0.27 -0.25 0.00 0.02 0.00 0.00 175.30 175.71 1ibj s ALA 151 N -1.68 2.19 -0.01 2.13 0.00 -1.26 -0.63 121.76 122.50 1ibj s ALA 151 Ca -0.10 -1.40 0.03 0.00 0.00 0.00 0.00 51.96 50.49 1ibj s ALA 151 Cb -0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 1ibj s ALA 151 CO 0.04 0.48 -0.11 -0.06 0.00 0.00 0.00 175.76 176.10 1ibj s PHE 152 N -1.12 0.95 -0.15 0.00 0.40 0.23 -4.78 117.98 113.51 1ibj s PHE 152 Ca 0.12 -0.19 -0.03 0.00 -0.60 0.00 0.00 56.93 56.23 1ibj s PHE 152 Cb -0.10 -0.61 -0.02 0.00 0.51 0.00 0.00 43.02 42.80 1ibj s PHE 152 CO 0.06 -0.02 -0.06 0.00 0.70 0.00 0.00 175.22 175.90 1ibj s PHE 154 N 0.41 2.50 0.63 0.00 0.40 0.15 -1.25 117.98 120.80 1ibj s PHE 154 Ca -0.06 -0.28 0.30 0.00 -0.60 0.00 0.00 56.93 56.29 1ibj s PHE 154 Cb -0.15 -1.14 1.60 0.00 0.51 0.00 0.00 43.02 43.84 1ibj s PHE 154 CO 0.04 0.62 1.95 0.00 0.70 0.00 0.00 175.22 178.52 1ibj h THR 155 N 2.37 0.20 -2.69 0.64 1.03 -0.84 -1.72 112.91 111.90 1ibj h THR 155 Ca -0.44 0.00 0.10 0.00 -0.01 0.00 0.00 66.41 66.07 1ibj h THR 155 Cb 1.24 0.68 -0.05 0.00 -1.07 0.00 0.00 68.15 68.95 1ibj h THR 155 CO 0.57 0.00 0.39 -0.94 -0.01 0.00 0.00 175.52 175.53 1ibj s SER 156 N -4.94 -0.13 0.07 0.00 1.04 -1.26 -3.62 113.70 104.86 1ibj s SER 156 Ca -0.04 -0.67 -0.24 0.00 0.48 0.00 0.00 55.95 55.48 1ibj s SER 156 Cb 0.12 0.63 -0.16 0.00 0.10 0.00 0.00 66.02 66.72 1ibj s SER 156 CO 0.42 -1.21 1.64 1.23 0.98 0.00 0.00 173.24 176.29 1ibj h GLY 157 N 2.00 -0.07 0.77 7.32 0.00 -1.82 -2.55 103.07 108.71 1ibj h GLY 157 Ca -0.25 0.03 0.09 0.00 0.00 0.00 0.00 47.33 47.19 1ibj h GLY 157 CO 0.30 -0.03 0.58 -0.33 0.00 0.00 0.00 176.54 177.06 1ibj h MET 158 N -0.16 0.90 -0.48 4.80 2.86 -1.96 -0.24 114.93 120.65 1ibj h MET 158 Ca -0.01 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 1ibj h MET 158 Cb 0.14 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 1ibj h MET 158 CO 0.01 0.60 0.15 0.00 1.06 0.00 0.00 176.91 178.73 1ibj h ALA 159 N 1.54 1.37 -0.55 6.32 0.00 -1.89 0.58 119.26 126.63 1ibj h ALA 159 Ca 0.40 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 1ibj h ALA 159 Cb 0.34 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1ibj h ALA 159 CO -0.17 0.46 -0.04 0.00 0.00 0.00 0.00 179.25 179.50 1ibj h ALA 160 N 1.48 0.75 -0.01 0.00 0.00 -0.68 -0.63 119.26 120.17 1ibj h ALA 160 Ca 0.16 -0.32 -0.23 0.00 0.00 0.00 0.00 54.91 54.52 1ibj h ALA 160 Cb 0.20 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1ibj h ALA 160 CO -0.01 0.61 -0.96 -0.07 0.00 0.00 0.00 179.25 178.83 1ibj h LEU 161 N 0.88 0.64 -0.39 0.00 3.38 -0.58 -1.39 115.31 117.84 1ibj h LEU 161 Ca 0.15 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 1ibj h LEU 161 Cb 0.60 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1ibj h LEU 161 CO 0.04 1.30 0.17 -1.28 0.09 0.00 0.00 178.44 178.76 1ibj h SER 162 N 0.28 0.52 -0.51 -0.43 0.87 0.31 -1.66 113.55 112.93 1ibj h SER 162 Ca -0.09 -0.14 0.01 0.00 -1.23 0.00 0.00 61.79 60.34 1ibj h SER 162 Cb 1.59 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 63.39 1ibj h SER 162 CO 0.17 0.52 0.33 0.00 -0.53 0.00 0.00 176.83 177.31 1ibj h ALA 163 N 1.02 0.65 -0.41 6.23 0.00 -1.04 -2.08 119.26 123.63 1ibj h ALA 163 Ca 0.13 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.10 1ibj h ALA 163 Cb 0.15 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.68 1ibj h ALA 163 CO -0.01 0.06 -0.09 0.28 0.00 0.00 0.00 179.25 179.48 1ibj h VAL 164 N 0.66 0.60 -0.89 0.00 2.07 -0.64 0.13 116.25 118.18 1ibj h VAL 164 Ca 0.20 -0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.97 1ibj h VAL 164 Cb -0.03 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 1ibj h VAL 164 CO -0.06 0.00 0.70 0.74 0.02 0.00 0.00 177.57 178.97 1ibj h THR 165 N 0.01 0.45 -1.34 2.57 2.02 -0.67 -2.78 112.91 113.17 1ibj h THR 165 Ca 0.20 0.00 -0.75 0.00 0.77 0.00 0.00 66.41 66.63 1ibj h THR 165 Cb 0.30 0.50 -0.15 0.00 -1.74 0.00 0.00 68.15 67.07 1ibj h THR 165 CO -0.41 0.00 2.19 1.41 0.37 0.00 0.00 175.52 179.08 1ibj n HIS 166 N -4.08 2.65 0.00 3.16 8.25 0.47 -3.30 115.22 122.36 1ibj n HIS 166 Ca 0.19 -2.79 0.00 0.00 -0.26 0.00 0.00 57.72 54.86 1ibj n HIS 166 Cb 1.01 -1.78 0.00 0.00 1.12 0.00 0.00 29.99 30.34 1ibj n HIS 166 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1ibj n LEU 167 N 1.93 0.00 -4.70 2.41 7.94 -1.05 -5.00 117.00 118.52 1ibj n LEU 167 Ca 0.56 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 55.09 1ibj n LEU 167 Cb 0.27 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.15 1ibj n LEU 167 CO 0.70 0.00 0.04 -0.63 -1.11 0.00 0.00 177.39 176.39 1ibj s ILE 168 N -0.13 5.26 0.22 1.96 1.09 -1.21 -5.08 121.20 123.31 1ibj s ILE 168 Ca 0.00 0.64 -0.01 0.00 -1.10 0.00 0.00 60.65 60.18 1ibj s ILE 168 Cb 0.00 -3.69 0.04 0.00 -1.06 0.00 0.00 42.46 37.76 1ibj s ILE 168 CO 0.00 0.33 0.29 0.29 -0.10 0.00 0.00 174.94 175.75 1ibj n LYS 169 N 3.94 0.26 -2.06 2.79 5.02 -1.26 -4.97 118.16 121.88 1ibj n LYS 169 Ca -0.10 -0.72 -0.42 0.00 -2.02 0.00 0.00 58.31 55.06 1ibj n LYS 169 Cb 0.52 -0.22 -0.03 0.00 -0.02 0.00 0.00 35.03 35.28 1ibj n LYS 169 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ibj s ASN 170 N -2.17 6.72 -0.14 4.39 4.22 -1.26 -2.95 114.94 123.75 1ibj s ASN 170 Ca 0.19 2.56 0.00 0.00 -2.14 0.00 0.00 52.86 53.47 1ibj s ASN 170 Cb -0.01 -2.61 0.00 0.00 1.28 0.00 0.00 41.25 39.91 1ibj s ASN 170 CO 0.13 -0.68 0.00 0.61 -2.04 0.00 0.00 177.10 175.12 1ibj n GLY 171 N 2.65 0.39 3.80 0.45 0.00 0.86 -4.95 105.19 108.40 1ibj n GLY 171 Ca 0.08 -0.91 -0.28 0.00 0.00 0.00 0.00 46.02 44.91 1ibj n GLY 171 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ibj s GLU 172 N -3.23 2.21 0.12 1.61 2.02 -1.15 -4.96 118.70 115.32 1ibj s GLU 172 Ca 0.00 -2.10 0.05 0.00 0.02 0.00 0.00 54.97 52.94 1ibj s GLU 172 Cb 0.00 -1.85 -0.04 0.00 0.10 0.00 0.00 34.13 32.34 1ibj s GLU 172 CO 0.00 -0.37 -0.12 -1.21 0.02 0.00 0.00 175.26 173.58 1ibj s GLU 173 N -4.01 0.98 -0.08 1.61 2.02 -0.54 -0.09 118.70 118.58 1ibj s GLU 173 Ca 0.26 -1.24 -0.00 0.00 0.02 0.00 0.00 54.97 54.02 1ibj s GLU 173 Cb 0.01 -0.76 0.02 0.00 0.10 0.00 0.00 34.13 33.50 1ibj s GLU 173 CO 0.15 0.13 -0.06 0.42 0.02 0.00 0.00 175.26 175.93 1ibj s ILE 174 N -2.36 0.77 -0.60 -1.63 1.01 0.73 -2.34 121.20 116.78 1ibj s ILE 174 Ca 0.09 -0.17 -0.18 0.00 0.00 0.00 0.00 60.65 60.38 1ibj s ILE 174 Cb -0.03 -0.82 0.11 0.00 0.01 0.00 0.00 42.46 41.73 1ibj s ILE 174 CO 0.02 0.31 0.69 -0.69 0.00 0.00 0.00 174.94 175.27 1ibj s VAL 175 N 1.48 4.91 -0.29 2.92 1.01 -0.35 -0.19 120.40 129.90 1ibj s VAL 175 Ca -0.01 -1.15 -0.10 0.00 0.00 0.00 0.00 61.98 60.72 1ibj s VAL 175 Cb -0.13 -4.48 -0.03 0.00 0.00 0.00 0.00 36.38 31.74 1ibj s VAL 175 CO -0.04 -1.10 0.16 0.00 0.00 0.00 0.00 175.10 174.13 1ibj s ALA 176 N 2.42 3.39 0.02 5.51 0.00 0.66 -1.45 121.76 132.31 1ibj s ALA 176 Ca 0.11 -1.22 -0.36 0.00 0.00 0.00 0.00 51.96 50.49 1ibj s ALA 176 Cb -0.24 -2.41 -0.15 0.00 0.00 0.00 0.00 23.12 20.32 1ibj s ALA 176 CO 0.05 -0.69 1.56 0.41 0.00 0.00 0.00 175.76 177.08 1ibj n GLY 177 N 5.02 0.87 3.43 0.00 0.00 -0.97 -2.48 105.19 111.06 1ibj n GLY 177 Ca -0.14 0.75 -0.44 0.00 0.00 0.00 0.00 46.02 46.18 1ibj n GLY 177 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ibj s ASP 178 N 1.65 6.67 0.00 1.61 -1.08 0.47 -3.01 116.67 122.98 1ibj s ASP 178 Ca 0.86 -2.20 0.00 0.00 -0.52 0.00 0.00 52.55 50.70 1ibj s ASP 178 Cb -0.86 -2.36 0.00 0.00 -1.46 0.00 0.00 42.92 38.24 1ibj s ASP 178 CO 0.48 -0.96 0.00 -0.90 0.52 0.00 0.00 175.17 174.31 1ibj n ASP 179 N 6.04 0.00 -4.44 -0.34 5.68 -1.26 -4.76 116.55 117.46 1ibj n ASP 179 Ca 0.23 0.00 -0.51 0.00 -0.50 0.00 0.00 54.79 54.01 1ibj n ASP 179 Cb 0.48 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.42 1ibj n ASP 179 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1ibj n VAL 180 N -0.09 1.40 -0.65 2.12 0.31 -1.16 -4.77 118.33 115.48 1ibj n VAL 180 Ca 0.00 -0.35 -0.21 0.00 -0.01 0.00 0.00 64.34 63.77 1ibj n VAL 180 Cb 0.00 -0.08 0.00 0.00 -0.91 0.00 0.00 33.84 32.85 1ibj n VAL 180 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ibj n TYR 181 N 0.50 -1.32 -0.11 3.52 9.36 -1.26 -4.16 117.16 123.69 1ibj n TYR 181 Ca 0.18 0.27 -0.05 0.00 3.32 0.00 0.00 57.90 61.62 1ibj n TYR 181 Cb 0.21 -0.89 -0.04 0.00 -0.63 0.00 0.00 39.34 37.99 1ibj n TYR 181 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1ibj h GLY 182 N 0.07 -1.78 2.00 2.98 0.00 -1.97 1.04 103.07 105.41 1ibj h GLY 182 Ca -0.20 0.91 -0.00 0.00 0.00 0.00 0.00 47.33 48.04 1ibj h GLY 182 CO 0.23 -0.55 -0.00 -1.33 0.00 0.00 0.00 176.54 174.88 1ibj h GLY 183 N -0.08 0.00 1.26 4.60 0.00 -1.99 0.35 103.07 107.21 1ibj h GLY 183 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.16 1ibj h GLY 183 CO -0.30 0.00 -0.80 1.76 0.00 0.00 0.00 176.54 177.20 1ibj h SER 184 N 0.00 0.86 0.00 0.19 0.02 -1.36 -2.53 113.55 110.73 1ibj h SER 184 Ca -0.00 -0.57 0.00 0.00 -0.84 0.00 0.00 61.79 60.38 1ibj h SER 184 Cb 0.01 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.30 1ibj h SER 184 CO 0.00 1.36 0.00 -0.67 -1.14 0.00 0.00 176.83 176.39 1ibj n ASP 185 N -3.91 0.00 -0.27 3.07 4.64 0.34 -1.04 116.55 119.38 1ibj n ASP 185 Ca -0.07 0.94 0.16 0.00 -1.38 0.00 0.00 54.79 54.43 1ibj n ASP 185 Cb 0.75 -0.44 0.31 0.00 -1.04 0.00 0.00 41.12 40.71 1ibj n ASP 185 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 1ibj n ARG 186 N -1.89 -0.06 0.27 -0.67 0.63 0.03 -0.58 116.66 114.40 1ibj n ARG 186 Ca 0.00 1.18 -0.15 0.00 -0.92 0.00 0.00 57.85 57.96 1ibj n ARG 186 Cb 0.00 -1.94 -0.08 0.00 0.45 0.00 0.00 32.46 30.89 1ibj n ARG 186 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1ibj h LEU 187 N 0.00 -0.58 -1.51 6.15 5.85 -1.21 0.21 115.31 124.21 1ibj h LEU 187 Ca 0.55 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 59.22 1ibj h LEU 187 Cb 1.25 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.40 1ibj h LEU 187 CO -0.72 -0.27 0.34 -0.07 -0.34 0.00 0.00 178.44 177.38 1ibj h LEU 188 N -0.90 0.56 0.00 2.25 3.38 0.85 -0.74 115.31 120.72 1ibj h LEU 188 Ca -0.07 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1ibj h LEU 188 Cb 0.60 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1ibj h LEU 188 CO 0.12 0.41 0.00 -0.24 0.09 0.00 0.00 178.44 178.81 1ibj n SER 189 N -4.46 0.00 0.29 -0.43 2.88 0.26 -4.37 113.62 107.78 1ibj n SER 189 Ca 0.05 0.07 0.18 0.00 -1.33 0.00 0.00 58.87 57.83 1ibj n SER 189 Cb 0.07 -0.07 0.79 0.00 -0.75 0.00 0.00 64.21 64.25 1ibj n SER 189 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1ibj h GLN 190 N 0.00 0.00 0.00 -1.46 4.20 -0.70 -3.38 115.11 113.77 1ibj h GLN 190 Ca 0.00 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 1ibj h GLN 190 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1ibj h GLN 190 CO 0.00 0.01 -0.95 0.28 -0.67 0.00 0.00 178.83 177.51 1ibj n VAL 191 N -3.11 1.24 -0.54 -0.54 0.31 -0.83 -4.67 118.33 110.18 1ibj n VAL 191 Ca -0.00 0.12 0.44 0.00 -0.01 0.00 0.00 64.34 64.89 1ibj n VAL 191 Cb 0.26 -1.93 0.74 0.00 -0.91 0.00 0.00 33.84 31.99 1ibj n VAL 191 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1ibj h VAL 192 N -0.57 0.10 -0.25 2.52 2.07 -1.36 -1.23 116.25 117.53 1ibj h VAL 192 Ca -0.12 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1ibj h VAL 192 Cb 0.79 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1ibj h VAL 192 CO -0.07 0.01 0.05 -0.65 0.02 0.00 0.00 177.57 176.93 1ibj h PRO 193 N 0.04 0.40 0.00 1.57 0.11 -1.77 -2.96 132.00 129.39 1ibj h PRO 193 Ca 0.85 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 66.85 1ibj h PRO 193 Cb 3.06 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 34.12 1ibj h PRO 193 CO -0.21 0.52 0.23 0.54 -0.21 0.00 0.00 178.00 178.86 1ibj n ARG 194 N -4.71 0.00 -0.26 1.05 1.74 -0.46 -0.56 116.66 113.46 1ibj n ARG 194 Ca -0.03 0.27 0.10 0.00 -0.77 0.00 0.00 57.85 57.42 1ibj n ARG 194 Cb 0.19 -1.73 0.24 0.00 -1.02 0.00 0.00 32.46 30.14 1ibj n ARG 194 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1ibj n SER 195 N -1.27 3.48 -0.75 0.55 7.64 -1.12 -4.97 113.62 117.19 1ibj n SER 195 Ca 0.00 -1.97 -0.07 0.00 1.01 0.00 0.00 58.87 57.84 1ibj n SER 195 Cb 0.23 -0.34 -0.01 0.00 -1.01 0.00 0.00 64.21 63.07 1ibj n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ibj n GLY 196 N 1.29 0.38 3.67 0.23 0.00 0.27 -4.04 105.19 106.99 1ibj n GLY 196 Ca 0.19 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 1ibj n GLY 196 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibj s VAL 197 N -2.34 4.23 -0.05 1.61 1.01 -1.25 0.30 120.40 123.90 1ibj s VAL 197 Ca 0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 61.98 61.55 1ibj s VAL 197 Cb 0.00 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.55 1ibj s VAL 197 CO 0.00 0.59 0.34 -0.69 0.00 0.00 0.00 175.10 175.34 1ibj s VAL 198 N -0.89 5.17 -0.31 2.92 1.01 0.87 -4.40 120.40 124.78 1ibj s VAL 198 Ca 0.14 0.68 0.01 0.00 0.00 0.00 0.00 61.98 62.80 1ibj s VAL 198 Cb -0.11 -3.64 0.07 0.00 0.00 0.00 0.00 36.38 32.69 1ibj s VAL 198 CO 0.03 0.55 -0.00 -0.69 0.00 0.00 0.00 175.10 174.98 1ibj s VAL 199 N -0.75 2.63 0.03 2.92 1.01 -1.26 -0.19 120.40 124.78 1ibj s VAL 199 Ca 0.21 -1.72 -0.13 0.00 0.00 0.00 0.00 61.98 60.34 1ibj s VAL 199 Cb -0.15 -2.64 -0.06 0.00 0.00 0.00 0.00 36.38 33.53 1ibj s VAL 199 CO 0.10 -0.24 0.40 -0.54 0.00 0.00 0.00 175.10 174.82 1ibj s LYS 200 N 1.13 3.85 0.13 2.72 1.02 0.74 -4.98 119.74 124.35 1ibj s LYS 200 Ca -0.02 0.31 0.10 0.00 0.02 0.00 0.00 55.97 56.38 1ibj s LYS 200 Cb -0.20 -3.13 -0.04 0.00 -0.52 0.00 0.00 37.83 33.94 1ibj s LYS 200 CO -0.04 0.64 -0.20 1.03 -0.92 0.00 0.00 175.35 175.86 1ibj s ARG 201 N -1.39 1.68 0.08 1.68 1.81 -1.26 -0.24 118.95 121.31 1ibj s ARG 201 Ca 0.27 -1.26 -0.02 0.00 -1.72 0.00 0.00 55.73 53.00 1ibj s ARG 201 Cb -0.15 -2.04 0.01 0.00 -0.45 0.00 0.00 34.95 32.31 1ibj s ARG 201 CO 0.15 0.46 0.15 1.33 -0.68 0.00 0.00 175.30 176.72 1ibj n VAL 202 N 0.73 0.00 -3.87 3.52 0.24 -1.04 -4.84 118.33 113.07 1ibj n VAL 202 Ca -0.16 -0.27 -0.29 0.00 -2.04 0.00 0.00 64.34 61.58 1ibj n VAL 202 Cb 0.53 0.23 -0.12 0.00 -1.47 0.00 0.00 33.84 33.00 1ibj n VAL 202 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1ibj s ASN 203 N -1.47 4.43 0.00 -1.34 3.04 -1.26 0.18 114.94 118.52 1ibj s ASN 203 Ca 0.04 -3.52 0.00 0.00 0.04 0.00 0.00 52.86 49.42 1ibj s ASN 203 Cb -0.01 -1.53 0.00 0.00 -1.54 0.00 0.00 41.25 38.17 1ibj s ASN 203 CO 0.03 -0.14 0.29 0.35 -3.04 0.00 0.00 177.10 174.59 1ibj n THR 204 N 2.41 0.16 0.09 -5.21 -2.24 -1.26 0.10 114.28 108.33 1ibj n THR 204 Ca 0.16 0.17 0.04 0.00 -2.27 0.00 0.00 64.05 62.15 1ibj n THR 204 Cb 0.35 -1.17 -0.02 0.00 -2.10 0.00 0.00 70.33 67.39 1ibj n THR 204 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1ibj h THR 205 N 0.00 0.48 -3.50 4.28 1.35 -1.93 -3.39 112.91 110.19 1ibj h THR 205 Ca 0.00 -1.81 -0.77 0.00 -0.55 0.00 0.00 66.41 63.28 1ibj h THR 205 Cb 0.26 2.04 -0.24 0.00 -1.73 0.00 0.00 68.15 68.48 1ibj h THR 205 CO 0.00 0.27 0.15 -0.54 -0.25 0.00 0.00 175.52 175.15 1ibj s LYS 206 N -3.03 3.49 0.54 4.72 -0.14 0.29 -4.91 119.74 120.69 1ibj s LYS 206 Ca 0.00 -2.21 0.38 0.00 -1.36 0.00 0.00 55.97 52.78 1ibj s LYS 206 Cb 0.08 -4.46 1.56 0.00 -1.68 0.00 0.00 37.83 33.33 1ibj s LYS 206 CO 0.78 -1.37 1.77 -0.07 -0.76 0.00 0.00 175.35 175.70 1ibj h LEU 207 N 8.38 0.03 0.18 3.17 3.38 -1.82 0.51 115.31 129.14 1ibj h LEU 207 Ca 0.04 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1ibj h LEU 207 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1ibj h LEU 207 CO 0.85 0.00 -0.09 -2.24 0.09 0.00 0.00 178.44 177.06 1ibj h ASP 208 N 0.02 -0.20 -0.40 -0.43 3.04 -1.95 1.11 116.42 117.61 1ibj h ASP 208 Ca 0.62 -0.31 0.08 0.00 -3.24 0.00 0.00 57.03 54.19 1ibj h ASP 208 Cb 2.45 0.05 -0.09 0.00 -1.04 0.00 0.00 39.33 40.70 1ibj h ASP 208 CO -0.03 0.24 -0.27 -0.33 -2.04 0.00 0.00 179.24 176.82 1ibj h GLU 209 N -0.70 -0.19 0.00 4.15 5.08 -1.27 0.53 114.58 122.17 1ibj h GLU 209 Ca -0.02 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1ibj h GLU 209 Cb 0.50 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1ibj h GLU 209 CO 0.04 -0.13 -0.35 -0.24 -1.00 0.00 0.00 179.01 177.34 1ibj h VAL 210 N -0.20 0.96 -0.29 3.13 3.04 -1.33 -0.86 116.25 120.70 1ibj h VAL 210 Ca 0.19 -1.33 -0.02 0.00 -1.01 0.00 0.00 66.70 64.53 1ibj h VAL 210 Cb 0.49 1.78 -0.01 0.00 -2.01 0.00 0.00 31.29 31.54 1ibj h VAL 210 CO -0.51 0.34 0.10 0.00 -1.01 0.00 0.00 177.57 176.49 1ibj h ALA 211 N 1.65 0.38 0.00 3.17 0.00 0.51 -2.25 119.26 122.72 1ibj h ALA 211 Ca -0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1ibj h ALA 211 Cb 0.75 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1ibj h ALA 211 CO 0.04 -0.01 -0.24 0.00 0.00 0.00 0.00 179.25 179.04 1ibj h ALA 212 N 0.94 0.93 0.00 0.00 0.00 0.03 -3.11 119.26 118.06 1ibj h ALA 212 Ca 0.09 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1ibj h ALA 212 Cb 0.21 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1ibj h ALA 212 CO -0.01 0.31 -0.46 0.00 0.00 0.00 0.00 179.25 179.09 1ibj h ALA 213 N 1.76 0.72 -1.10 0.00 0.00 -0.83 -3.42 119.26 116.38 1ibj h ALA 213 Ca -0.00 -0.42 -0.53 0.00 0.00 0.00 0.00 54.91 53.95 1ibj h ALA 213 Cb 0.92 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.55 1ibj h ALA 213 CO 0.03 0.58 1.29 0.42 0.00 0.00 0.00 179.25 181.57 1ibj s ILE 214 N -3.04 3.78 0.00 0.00 1.01 -0.87 -4.94 121.20 117.13 1ibj s ILE 214 Ca 0.04 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.22 1ibj s ILE 214 Cb 0.08 -4.80 0.00 0.00 0.01 0.00 0.00 42.46 37.74 1ibj s ILE 214 CO 0.73 -1.71 0.00 0.61 0.00 0.00 0.00 174.94 174.57 1ibj n GLY 215 N 6.60 -1.64 0.16 6.18 0.00 -1.26 -4.99 105.19 110.23 1ibj n GLY 215 Ca 0.29 -1.57 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 1ibj n GLY 215 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ibj h PRO 216 N 0.00 -0.28 -2.64 1.61 0.11 -1.97 -3.33 132.00 125.50 1ibj h PRO 216 Ca 0.00 0.02 -0.77 0.00 0.11 0.00 0.00 66.00 65.36 1ibj h PRO 216 Cb 0.00 0.06 -0.18 0.00 0.11 0.00 0.00 31.00 31.00 1ibj h PRO 216 CO 0.00 0.11 1.88 1.04 -0.21 0.00 0.00 178.00 180.82 1ibj n GLN 217 N -5.01 4.71 -3.99 1.05 6.02 -1.26 -4.88 117.38 114.02 1ibj n GLN 217 Ca -0.08 -3.88 -0.34 0.00 -0.01 0.00 0.00 57.00 52.69 1ibj n GLN 217 Cb 0.26 -2.61 -0.15 0.00 1.02 0.00 0.00 30.24 28.76 1ibj n GLN 217 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1ibj s THR 218 N -1.95 2.77 -0.42 5.09 2.01 -1.25 -1.46 115.64 120.42 1ibj s THR 218 Ca 0.47 -0.91 0.10 0.00 0.31 0.00 0.00 61.69 61.66 1ibj s THR 218 Cb 0.17 -2.33 -0.11 0.00 0.01 0.00 0.00 72.50 70.23 1ibj s THR 218 CO -0.08 0.32 0.40 0.29 -0.69 0.00 0.00 174.62 174.86 1ibj n LYS 219 N 4.68 3.43 -3.72 4.92 4.76 -0.99 -4.26 118.16 126.97 1ibj n LYS 219 Ca -0.18 -0.01 -0.14 0.00 -2.87 0.00 0.00 58.31 55.12 1ibj n LYS 219 Cb 0.48 -0.99 -0.14 0.00 -1.84 0.00 0.00 35.03 32.54 1ibj n LYS 219 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1ibj s LEU 220 N -2.58 0.43 -0.21 -0.35 2.96 -1.20 -1.24 118.68 116.49 1ibj s LEU 220 Ca 0.03 0.39 -0.03 0.00 -0.22 0.00 0.00 54.13 54.30 1ibj s LEU 220 Cb 0.07 0.47 -0.01 0.00 0.50 0.00 0.00 46.19 47.23 1ibj s LEU 220 CO 0.40 -0.18 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.50 1ibj s VAL 221 N 1.48 3.21 -0.28 1.68 1.01 0.16 -1.21 120.40 126.45 1ibj s VAL 221 Ca -0.06 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1ibj s VAL 221 Cb -0.11 -2.44 0.06 0.00 0.00 0.00 0.00 36.38 33.89 1ibj s VAL 221 CO -0.07 0.45 -0.06 0.86 0.00 0.00 0.00 175.10 176.27 1ibj s TRP 222 N 1.34 3.34 0.33 5.22 -0.11 -0.53 0.45 118.94 128.99 1ibj s TRP 222 Ca 0.04 -2.34 0.08 0.00 1.22 0.00 0.00 56.10 55.11 1ibj s TRP 222 Cb -0.14 -2.11 -0.04 0.00 -1.50 0.00 0.00 33.47 29.67 1ibj s TRP 222 CO -0.04 -0.88 0.14 -0.51 -4.62 0.00 0.00 176.95 171.05 1ibj s LEU 223 N 1.10 3.30 -0.09 5.86 1.43 0.30 -2.29 118.68 128.29 1ibj s LEU 223 Ca -0.05 -0.72 -0.09 0.00 -1.03 0.00 0.00 54.13 52.23 1ibj s LEU 223 Cb -0.20 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.26 1ibj s LEU 223 CO -0.05 -0.26 0.25 -0.70 0.23 0.00 0.00 176.35 175.82 1ibj s GLU 224 N -3.84 0.31 -0.30 1.70 2.12 -1.26 -1.54 118.70 115.89 1ibj s GLU 224 Ca 0.37 0.30 -0.18 0.00 0.36 0.00 0.00 54.97 55.83 1ibj s GLU 224 Cb -0.03 0.15 0.19 0.00 0.26 0.00 0.00 34.13 34.69 1ibj s GLU 224 CO 0.23 -0.04 1.20 0.45 -0.54 0.00 0.00 175.26 176.56 1ibj s SER 225 N 0.03 -0.20 0.86 -1.70 0.15 -1.26 -4.48 113.70 107.10 1ibj s SER 225 Ca -0.01 0.25 -0.12 0.00 0.70 0.00 0.00 55.95 56.77 1ibj s SER 225 Cb -0.02 1.22 0.11 0.00 -1.71 0.00 0.00 66.02 65.62 1ibj s SER 225 CO 0.01 -0.04 1.18 -2.84 1.20 0.00 0.00 173.24 172.75 1ibj s PRO 226 N 2.31 1.31 0.59 5.44 0.02 -1.26 -4.89 135.00 138.51 1ibj s PRO 226 Ca -0.01 1.67 -0.09 0.00 0.02 0.00 0.00 61.00 62.59 1ibj s PRO 226 Cb -0.03 -1.75 0.13 0.00 0.02 0.00 0.00 34.50 32.87 1ibj s PRO 226 CO -0.15 -2.44 0.80 0.25 -0.33 0.00 0.00 177.00 175.13 1ibj n THR 227 N -3.76 0.00 -4.02 0.99 -2.24 -0.74 -4.84 114.28 99.66 1ibj n THR 227 Ca 0.13 -0.66 -0.15 0.00 -2.27 0.00 0.00 64.05 61.09 1ibj n THR 227 Cb 0.51 -1.61 -0.15 0.00 -2.10 0.00 0.00 70.33 66.99 1ibj n THR 227 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1ibj s ASN 228 N -3.95 0.40 0.00 3.42 2.47 -1.26 -2.42 114.94 113.60 1ibj s ASN 228 Ca 0.46 -0.05 0.26 0.00 0.42 0.00 0.00 52.86 53.95 1ibj s ASN 228 Cb -0.01 -0.10 0.73 0.00 -1.45 0.00 0.00 41.25 40.42 1ibj s ASN 228 CO 0.32 0.00 1.55 -0.81 -3.72 0.00 0.00 177.10 174.44 1ibj n PRO 229 N 3.32 0.70 0.29 0.43 -0.04 -1.26 -4.88 135.00 133.56 1ibj n PRO 229 Ca -0.17 -0.41 0.15 0.00 -0.04 0.00 0.00 63.50 63.04 1ibj n PRO 229 Cb 0.56 -1.49 0.86 0.00 -0.04 0.00 0.00 33.50 33.40 1ibj n PRO 229 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ibj h ARG 230 N 0.99 0.00 -2.90 0.54 -0.00 -1.93 -3.40 114.38 107.69 1ibj h ARG 230 Ca 0.00 0.00 -0.29 0.00 -0.50 0.00 0.00 59.98 59.19 1ibj h ARG 230 Cb 0.50 0.00 0.03 0.00 0.00 0.00 0.00 29.97 30.50 1ibj h ARG 230 CO 0.00 0.05 -0.41 1.04 0.00 0.00 0.00 179.97 180.65 1ibj n GLN 231 N -3.67 -2.74 -2.52 0.04 1.13 -1.01 -4.69 117.38 103.91 1ibj n GLN 231 Ca -0.02 0.66 -0.39 0.00 -1.94 0.00 0.00 57.00 55.30 1ibj n GLN 231 Cb 0.15 -4.95 -0.04 0.00 0.11 0.00 0.00 30.24 25.50 1ibj n GLN 231 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1ibj s GLN 232 N -5.16 4.54 -0.02 -1.09 -0.21 -1.26 -4.55 119.66 111.91 1ibj s GLN 232 Ca 0.15 1.70 -0.06 0.00 0.02 0.00 0.00 55.36 57.16 1ibj s GLN 232 Cb -0.07 -3.03 -0.04 0.00 1.00 0.00 0.00 33.01 30.87 1ibj s GLN 232 CO 0.18 0.15 0.23 0.42 -2.12 0.00 0.00 175.29 174.16 1ibj s ILE 233 N -1.29 5.36 0.06 1.08 -1.09 -1.26 -1.79 121.20 122.26 1ibj s ILE 233 Ca 0.47 0.13 0.07 0.00 -2.23 0.00 0.00 60.65 59.10 1ibj s ILE 233 Cb -0.29 -3.53 -0.03 0.00 -1.58 0.00 0.00 42.46 37.03 1ibj s ILE 233 CO 0.37 0.42 -0.20 -0.44 -1.23 0.00 0.00 174.94 173.85 1ibj s SER 234 N -1.59 2.42 -0.54 3.58 0.01 -1.26 -4.63 113.70 111.68 1ibj s SER 234 Ca 0.25 -0.56 -0.23 0.00 1.31 0.00 0.00 55.95 56.72 1ibj s SER 234 Cb -0.13 -0.18 0.05 0.00 0.21 0.00 0.00 66.02 65.97 1ibj s SER 234 CO 0.14 0.12 0.87 -0.62 0.41 0.00 0.00 173.24 174.17 1ibj s ASP 235 N -1.35 6.31 0.51 2.44 -1.08 -1.26 -4.90 116.67 117.34 1ibj s ASP 235 Ca 0.07 -0.49 0.30 0.00 -0.52 0.00 0.00 52.55 51.90 1ibj s ASP 235 Cb -0.09 -2.40 1.11 0.00 -1.46 0.00 0.00 42.92 40.07 1ibj s ASP 235 CO 0.02 -1.15 1.89 0.40 0.52 0.00 0.00 175.17 176.85 1ibj h ILE 236 N 5.98 0.16 0.08 4.11 2.04 -1.96 -1.97 117.51 125.95 1ibj h ILE 236 Ca -0.26 -0.75 -0.26 0.00 1.00 0.00 0.00 64.86 64.58 1ibj h ILE 236 Cb 1.08 1.65 0.02 0.00 -0.74 0.00 0.00 36.82 38.83 1ibj h ILE 236 CO 1.06 0.06 -1.05 0.03 0.00 0.00 0.00 178.15 178.26 1ibj h ARG 237 N 0.00 0.57 -0.00 2.37 3.08 -1.91 -2.90 114.38 115.60 1ibj h ARG 237 Ca -0.00 -0.72 -0.15 0.00 0.07 0.00 0.00 59.98 59.18 1ibj h ARG 237 Cb 0.65 0.23 0.01 0.00 0.08 0.00 0.00 29.97 30.94 1ibj h ARG 237 CO 0.01 1.31 -0.57 0.87 -1.07 0.00 0.00 179.97 180.51 1ibj h LYS 238 N 0.17 0.39 0.00 0.04 1.79 -1.86 -2.54 116.57 114.56 1ibj h LYS 238 Ca -0.15 -0.42 -0.02 0.00 -2.18 0.00 0.00 60.65 57.88 1ibj h LYS 238 Cb 1.74 0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 32.50 1ibj h LYS 238 CO 0.20 1.09 -0.09 0.82 -1.08 0.00 0.00 179.45 180.39 1ibj h ILE 239 N -0.13 0.72 -0.50 1.86 2.04 -1.50 -1.09 117.51 118.91 1ibj h ILE 239 Ca -0.07 -0.35 -0.12 0.00 1.00 0.00 0.00 64.86 65.32 1ibj h ILE 239 Cb 1.29 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 1ibj h ILE 239 CO 0.11 0.09 -0.15 0.28 0.00 0.00 0.00 178.15 178.48 1ibj h SER 240 N 0.00 0.99 -0.04 1.72 0.02 -1.28 -2.14 113.55 112.82 1ibj h SER 240 Ca -0.00 -0.37 -0.24 0.00 -0.84 0.00 0.00 61.79 60.33 1ibj h SER 240 Cb 0.20 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 62.49 1ibj h SER 240 CO 0.01 1.14 -0.91 1.05 -1.14 0.00 0.00 176.83 176.98 1ibj h GLU 241 N 0.84 0.73 0.18 3.45 4.11 -0.96 0.52 114.58 123.44 1ibj h GLU 241 Ca 0.12 -0.68 0.00 0.00 0.07 0.00 0.00 59.36 58.87 1ibj h GLU 241 Cb 0.72 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 1ibj h GLU 241 CO 0.06 1.27 -0.18 0.52 0.07 0.00 0.00 179.01 180.75 1ibj h MET 242 N 0.45 -0.37 0.07 1.06 2.86 -1.20 0.67 114.93 118.48 1ibj h MET 242 Ca -0.09 0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1ibj h MET 242 Cb 1.55 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 33.29 1ibj h MET 242 CO 0.18 -0.25 -0.05 0.00 1.06 0.00 0.00 176.91 177.86 1ibj h ALA 243 N 0.39 -0.11 0.00 6.32 0.00 -1.43 -0.97 119.26 123.46 1ibj h ALA 243 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ibj h ALA 243 Cb 0.36 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ibj h ALA 243 CO -0.04 -0.56 0.03 0.45 0.00 0.00 0.00 179.25 179.12 1ibj h HIS 244 N -0.12 0.00 0.00 0.00 3.86 -0.65 0.12 115.15 118.36 1ibj h HIS 244 Ca -0.01 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1ibj h HIS 244 Cb 0.10 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 1ibj h HIS 244 CO -0.08 0.00 -0.04 0.00 0.86 0.00 0.00 177.93 178.67 1ibj h ALA 245 N 1.93 1.02 -0.31 2.45 0.00 0.57 -2.35 119.26 122.58 1ibj h ALA 245 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ibj h ALA 245 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ibj h ALA 245 CO 0.00 0.05 0.00 1.04 0.00 0.00 0.00 179.25 180.34 1ibj n GLN 246 N -3.17 2.88 -2.32 0.00 1.13 0.36 -4.96 117.38 111.31 1ibj n GLN 246 Ca 0.00 -2.23 -0.13 0.00 -1.94 0.00 0.00 57.00 52.70 1ibj n GLN 246 Cb 0.30 -1.40 -0.00 0.00 0.11 0.00 0.00 30.24 29.25 1ibj n GLN 246 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ibj n GLY 247 N 0.20 -0.13 3.95 1.08 0.00 -0.88 -4.84 105.19 104.57 1ibj n GLY 247 Ca 0.14 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 1ibj n GLY 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibj s ALA 248 N -2.67 3.95 0.00 4.61 0.00 -0.94 -4.90 121.76 121.81 1ibj s ALA 248 Ca 0.03 -1.09 -0.16 0.00 0.00 0.00 0.00 51.96 50.75 1ibj s ALA 248 Cb -0.01 -1.77 -0.06 0.00 0.00 0.00 0.00 23.12 21.27 1ibj s ALA 248 CO 0.04 0.44 0.44 -0.51 0.00 0.00 0.00 175.76 176.17 1ibj s LEU 249 N -3.47 4.46 -0.20 0.00 1.43 -0.37 -4.09 118.68 116.44 1ibj s LEU 249 Ca 0.35 1.00 -0.05 0.00 -1.03 0.00 0.00 54.13 54.39 1ibj s LEU 249 Cb -0.10 -2.65 -0.03 0.00 0.03 0.00 0.00 46.19 43.44 1ibj s LEU 249 CO 0.29 0.28 0.01 -0.69 0.23 0.00 0.00 176.35 176.47 1ibj s VAL 250 N -0.91 4.10 -0.17 -1.59 1.01 -1.26 0.38 120.40 121.95 1ibj s VAL 250 Ca 0.25 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 61.90 1ibj s VAL 250 Cb -0.17 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1ibj s VAL 250 CO 0.14 0.43 0.01 -0.22 0.00 0.00 0.00 175.10 175.47 1ibj s LEU 251 N 0.88 3.50 -0.17 3.92 2.96 0.17 -0.99 118.68 128.95 1ibj s LEU 251 Ca 0.01 -0.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.88 1ibj s LEU 251 Cb -0.14 -1.87 0.03 0.00 0.50 0.00 0.00 46.19 44.71 1ibj s LEU 251 CO 0.02 0.15 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.38 1ibj s VAL 252 N 0.47 1.65 -0.70 1.68 1.01 0.69 -0.53 120.40 124.67 1ibj s VAL 252 Ca -0.00 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 60.98 1ibj s VAL 252 Cb -0.13 -1.60 0.09 0.00 0.00 0.00 0.00 36.38 34.74 1ibj s VAL 252 CO 0.02 0.38 0.94 -0.62 0.00 0.00 0.00 175.10 175.82 1ibj s ASP 253 N 1.43 6.26 0.00 3.32 -1.08 -0.59 -0.16 116.67 125.85 1ibj s ASP 253 Ca 0.03 -1.28 0.27 0.00 -0.52 0.00 0.00 52.55 51.06 1ibj s ASP 253 Cb -0.14 -2.39 0.90 0.00 -1.46 0.00 0.00 42.92 39.83 1ibj s ASP 253 CO -0.10 -1.31 1.65 -3.20 0.52 0.00 0.00 175.17 172.73 1ibj n ASN 254 N 7.22 1.20 -0.11 -0.34 5.15 0.26 -4.45 115.26 124.19 1ibj n ASN 254 Ca 0.00 -1.13 0.02 0.00 -0.60 0.00 0.00 54.58 52.87 1ibj n ASN 254 Cb 0.45 0.07 0.04 0.00 -0.53 0.00 0.00 39.78 39.82 1ibj n ASN 254 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1ibj n SER 255 N -0.32 -0.12 0.24 1.20 7.64 -1.19 0.12 113.62 121.19 1ibj n SER 255 Ca 0.15 0.54 0.16 0.00 1.01 0.00 0.00 58.87 60.73 1ibj n SER 255 Cb 0.35 -0.16 0.68 0.00 -1.01 0.00 0.00 64.21 64.06 1ibj n SER 255 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 1ibj h ILE 256 N 0.00 0.00 0.00 0.44 -0.00 -1.94 -3.31 117.51 112.70 1ibj h ILE 256 Ca 0.15 -0.37 -0.29 0.00 -0.00 0.00 0.00 64.86 64.35 1ibj h ILE 256 Cb 0.23 1.28 -0.05 0.00 -0.00 0.00 0.00 36.82 38.28 1ibj h ILE 256 CO -0.32 0.00 -2.08 0.23 -0.00 0.00 0.00 178.15 175.98 1ibj n MET 257 N -2.83 0.70 -0.72 2.19 2.81 0.32 -4.81 117.12 114.78 1ibj n MET 257 Ca 0.01 0.09 0.09 0.00 -1.81 0.00 0.00 57.70 56.07 1ibj n MET 257 Cb 0.26 -1.38 -0.04 0.00 -0.71 0.00 0.00 33.22 31.34 1ibj n MET 257 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1ibj n SER 258 N -2.96 -3.99 0.11 7.83 3.41 -0.89 -3.83 113.62 113.30 1ibj n SER 258 Ca -0.32 0.68 0.08 0.00 -0.26 0.00 0.00 58.87 59.05 1ibj n SER 258 Cb 0.89 -2.43 0.40 0.00 -0.26 0.00 0.00 64.21 62.81 1ibj n SER 258 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1ibj n PRO 259 N -3.22 0.10 0.14 4.33 -0.02 -1.26 -2.46 135.00 132.61 1ibj n PRO 259 Ca -0.04 0.55 0.12 0.00 -2.02 0.00 0.00 63.50 62.11 1ibj n PRO 259 Cb 0.34 -1.80 0.28 0.00 -0.02 0.00 0.00 33.50 32.30 1ibj n PRO 259 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1ibj h VAL 260 N 0.00 0.00 0.00 -1.45 -1.51 -1.91 -3.36 116.25 108.02 1ibj h VAL 260 Ca 0.00 -0.68 -0.06 0.00 -1.23 0.00 0.00 66.70 64.73 1ibj h VAL 260 Cb 0.07 1.61 -0.01 0.00 -2.13 0.00 0.00 31.29 30.82 1ibj h VAL 260 CO 0.00 0.00 -1.36 0.18 -1.23 0.00 0.00 177.57 175.16 1ibj n LEU 261 N -2.55 0.00 -3.82 4.19 4.77 -1.03 -4.86 117.00 113.71 1ibj n LEU 261 Ca 0.04 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.91 1ibj n LEU 261 Cb 0.47 0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 41.55 1ibj n LEU 261 CO 0.33 0.08 -0.08 -0.55 -1.33 0.00 0.00 177.39 175.84 1ibj s SER 262 N -3.29 -0.05 -0.43 -1.43 0.15 -1.12 0.73 113.70 108.25 1ibj s SER 262 Ca -0.03 -0.14 0.06 0.00 0.70 0.00 0.00 55.95 56.54 1ibj s SER 262 Cb 0.03 0.27 0.21 0.00 -1.71 0.00 0.00 66.02 64.82 1ibj s SER 262 CO 0.26 -0.45 0.54 0.54 1.20 0.00 0.00 173.24 175.33 1ibj n ARG 263 N 1.17 0.50 -0.53 5.44 1.74 -1.26 -4.17 116.66 119.55 1ibj n ARG 263 Ca -0.21 -2.83 0.43 0.00 -0.77 0.00 0.00 57.85 54.48 1ibj n ARG 263 Cb 0.57 -1.45 0.74 0.00 -1.02 0.00 0.00 32.46 31.30 1ibj n ARG 263 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1ibj h PRO 264 N 4.73 0.04 -0.11 5.56 0.11 -1.92 -0.30 132.00 140.12 1ibj h PRO 264 Ca 0.11 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.25 1ibj h PRO 264 Cb 0.94 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 1ibj h PRO 264 CO 0.35 0.03 0.08 -0.07 -0.21 0.00 0.00 178.00 178.17 1ibj h LEU 265 N 0.04 0.00 -1.05 2.35 3.38 -1.83 0.12 115.31 118.32 1ibj h LEU 265 Ca 0.82 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.79 1ibj h LEU 265 Cb 3.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.77 1ibj h LEU 265 CO -0.17 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.74 1ibj n GLU 266 N -4.39 1.67 -0.16 1.13 1.02 -0.12 -3.23 120.64 116.56 1ibj n GLU 266 Ca -0.00 -0.80 0.03 0.00 -0.02 0.00 0.00 57.16 56.36 1ibj n GLU 266 Cb 0.20 -1.32 0.04 0.00 -0.02 0.00 0.00 31.44 30.33 1ibj n GLU 266 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ibj n LEU 267 N 0.14 1.09 0.00 -4.62 4.77 0.34 -4.99 117.00 113.72 1ibj n LEU 267 Ca 0.07 -1.58 0.00 0.00 -0.03 0.00 0.00 56.01 54.48 1ibj n LEU 267 Cb 0.28 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1ibj n LEU 267 CO 0.06 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1ibj n GLY 268 N -0.51 0.42 3.82 -0.72 0.00 -1.15 -3.65 105.19 103.40 1ibj n GLY 268 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1ibj n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibj s ALA 269 N -2.15 2.57 -0.19 4.61 0.00 -0.74 -4.79 121.76 121.06 1ibj s ALA 269 Ca 0.00 -0.08 0.12 0.00 0.00 0.00 0.00 51.96 52.00 1ibj s ALA 269 Cb 0.00 -3.13 -0.20 0.00 0.00 0.00 0.00 23.12 19.79 1ibj s ALA 269 CO 0.00 -1.37 -0.02 -0.25 0.00 0.00 0.00 175.76 174.12 1ibj n ASP 270 N -3.21 1.06 -3.75 0.00 9.92 -0.16 -4.43 116.55 115.99 1ibj n ASP 270 Ca 0.07 -0.04 -0.16 0.00 -0.53 0.00 0.00 54.79 54.13 1ibj n ASP 270 Cb 0.55 0.54 -0.16 0.00 -0.64 0.00 0.00 41.12 41.41 1ibj n ASP 270 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1ibj s ILE 271 N -2.44 -0.07 -0.11 0.53 1.01 -0.94 -1.10 121.20 118.07 1ibj s ILE 271 Ca -0.16 0.27 -0.00 0.00 0.00 0.00 0.00 60.65 60.76 1ibj s ILE 271 Cb 0.06 -0.10 -0.02 0.00 0.01 0.00 0.00 42.46 42.40 1ibj s ILE 271 CO 0.68 0.11 -0.09 -0.69 0.00 0.00 0.00 174.94 174.94 1ibj s VAL 272 N 1.33 3.45 0.05 2.92 1.01 -0.74 -0.22 120.40 128.20 1ibj s VAL 272 Ca -0.06 -0.54 0.08 0.00 0.00 0.00 0.00 61.98 61.46 1ibj s VAL 272 Cb -0.13 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 1ibj s VAL 272 CO -0.03 0.54 -0.21 -0.32 0.00 0.00 0.00 175.10 175.09 1ibj s MET 273 N -0.10 1.95 -0.03 2.72 1.75 0.77 -1.36 119.30 124.99 1ibj s MET 273 Ca 0.00 -1.04 0.02 0.00 -1.25 0.00 0.00 55.69 53.41 1ibj s MET 273 Cb -0.13 -2.11 0.01 0.00 2.84 0.00 0.00 34.83 35.43 1ibj s MET 273 CO 0.03 0.53 -0.06 -1.01 -0.65 0.00 0.00 175.02 173.85 1ibj s HIS 274 N -0.91 0.78 -0.34 4.11 3.76 -0.47 -0.57 115.29 121.65 1ibj s HIS 274 Ca 0.14 -0.20 -0.24 0.00 -0.15 0.00 0.00 55.06 54.61 1ibj s HIS 274 Cb -0.10 -0.61 0.01 0.00 1.11 0.00 0.00 32.58 32.98 1ibj s HIS 274 CO 0.05 -0.13 0.83 0.45 -0.85 0.00 0.00 174.74 175.09 1ibj s SER 275 N 0.46 6.65 0.00 1.40 0.15 -1.26 -0.95 113.70 120.15 1ibj s SER 275 Ca -0.06 0.58 0.29 0.00 0.70 0.00 0.00 55.95 57.46 1ibj s SER 275 Cb -0.10 -2.42 1.32 0.00 -1.71 0.00 0.00 66.02 63.10 1ibj s SER 275 CO 0.00 -0.71 1.93 0.00 1.20 0.00 0.00 173.24 175.66 1ibj n ALA 276 N 6.42 2.60 0.30 5.45 0.00 0.86 -2.97 120.51 133.18 1ibj n ALA 276 Ca 0.05 -0.18 0.15 0.00 0.00 0.00 0.00 53.44 53.46 1ibj n ALA 276 Cb 0.48 -1.42 0.92 0.00 0.00 0.00 0.00 19.45 19.43 1ibj n ALA 276 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1ibj h THR 277 N 0.16 0.51 0.00 0.00 2.02 -1.69 -1.59 112.91 112.32 1ibj h THR 277 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1ibj h THR 277 Cb 0.36 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1ibj h THR 277 CO 0.00 0.01 0.00 0.29 0.37 0.00 0.00 175.52 176.19 1ibj n LYS 278 N -3.81 0.00 -0.13 6.66 4.76 -1.16 -4.50 118.16 119.98 1ibj n LYS 278 Ca -0.03 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.34 1ibj n LYS 278 Cb 0.09 0.00 0.09 0.00 -1.84 0.00 0.00 35.03 33.37 1ibj n LYS 278 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 1ibj h PHE 279 N 0.00 0.96 0.66 2.13 -1.00 -1.77 0.64 116.94 118.56 1ibj h PHE 279 Ca 0.00 -0.18 -0.03 0.00 2.81 0.00 0.00 57.97 60.58 1ibj h PHE 279 Cb 0.00 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.31 1ibj h PHE 279 CO 0.00 0.92 -0.46 0.82 -1.61 0.00 0.00 178.31 177.97 1ibj h ILE 280 N 0.79 0.00 -0.01 -0.55 2.04 -1.84 -3.05 117.51 114.89 1ibj h ILE 280 Ca 0.13 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.81 1ibj h ILE 280 Cb 0.60 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1ibj h ILE 280 CO 0.04 0.00 -0.82 0.00 0.00 0.00 0.00 178.15 177.37 1ibj h ALA 281 N -1.16 0.61 -0.48 1.87 0.00 -1.38 -2.79 119.26 115.92 1ibj h ALA 281 Ca -0.09 -0.69 -0.07 0.00 0.00 0.00 0.00 54.91 54.05 1ibj h ALA 281 Cb 0.88 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1ibj h ALA 281 CO 0.05 0.90 -0.07 0.41 0.00 0.00 0.00 179.25 180.54 1ibj n GLY 282 N 0.75 0.35 0.00 0.00 0.00 0.22 -4.58 105.19 101.92 1ibj n GLY 282 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1ibj n GLY 282 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ibj n HIS 283 N -1.28 0.00 -3.63 1.61 8.25 -1.26 -2.01 115.22 116.89 1ibj n HIS 283 Ca -0.04 -0.36 -0.27 0.00 -0.26 0.00 0.00 57.72 56.79 1ibj n HIS 283 Cb 0.30 -0.04 -0.01 0.00 1.12 0.00 0.00 29.99 31.36 1ibj n HIS 283 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1ibj n SER 284 N -0.36 -3.49 -0.10 0.41 3.41 -1.26 -4.87 113.62 107.36 1ibj n SER 284 Ca 0.00 -0.57 0.04 0.00 -0.26 0.00 0.00 58.87 58.07 1ibj n SER 284 Cb 0.30 -2.88 0.05 0.00 -0.26 0.00 0.00 64.21 61.42 1ibj n SER 284 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ibj n ASP 285 N -2.38 1.56 -3.68 4.04 5.68 -1.26 -5.05 116.55 115.45 1ibj n ASP 285 Ca 0.02 -2.25 -0.10 0.00 -0.50 0.00 0.00 54.79 51.95 1ibj n ASP 285 Cb 0.52 -0.18 -0.09 0.00 -1.14 0.00 0.00 41.12 40.22 1ibj n ASP 285 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1ibj s VAL 286 N -1.40 -0.01 -0.07 2.12 1.01 -1.26 -5.13 120.40 115.66 1ibj s VAL 286 Ca 0.12 0.04 -0.11 0.00 0.00 0.00 0.00 61.98 62.03 1ibj s VAL 286 Cb 0.10 -0.75 -0.05 0.00 0.00 0.00 0.00 36.38 35.68 1ibj s VAL 286 CO 0.01 0.02 0.27 -0.04 0.00 0.00 0.00 175.10 175.36 1ibj s MET 287 N 1.12 3.71 -0.11 2.72 -1.94 -1.26 -4.22 119.30 119.32 1ibj s MET 287 Ca -0.07 0.14 -0.30 0.00 -1.71 0.00 0.00 55.69 53.75 1ibj s MET 287 Cb -0.06 -3.22 0.11 0.00 2.01 0.00 0.00 34.83 33.68 1ibj s MET 287 CO -0.11 0.71 0.93 0.00 -0.01 0.00 0.00 175.02 176.54 1ibj s ALA 288 N -0.97 -1.89 0.06 3.03 0.00 -1.24 -4.63 121.76 116.13 1ibj s ALA 288 Ca 0.19 1.41 0.03 0.00 0.00 0.00 0.00 51.96 53.60 1ibj s ALA 288 Cb -0.14 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 1ibj s ALA 288 CO 0.08 -0.41 -0.10 0.20 0.00 0.00 0.00 175.76 175.53 1ibj s GLY 289 N -1.46 0.69 -0.05 0.00 0.00 -0.65 -0.09 107.32 105.76 1ibj s GLY 289 Ca -0.01 -0.92 0.01 0.00 0.00 0.00 0.00 44.72 43.80 1ibj s GLY 289 CO 0.00 -0.96 -0.06 0.14 0.00 0.00 0.00 173.10 172.22 1ibj s VAL 290 N -1.51 0.62 -0.18 1.40 1.01 -0.12 0.30 120.40 121.92 1ibj s VAL 290 Ca -0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.73 1ibj s VAL 290 Cb -0.09 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 1ibj s VAL 290 CO 0.01 0.24 -0.05 -0.76 0.00 0.00 0.00 175.10 174.54 1ibj s LEU 291 N 0.89 2.98 -0.20 3.92 1.43 0.26 -1.36 118.68 126.61 1ibj s LEU 291 Ca -0.11 -0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 52.67 1ibj s LEU 291 Cb -0.15 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.34 1ibj s LEU 291 CO 0.01 0.07 -0.08 0.00 0.23 0.00 0.00 176.35 176.58 1ibj s ALA 292 N 0.93 2.71 -0.04 4.21 0.00 -0.47 0.75 121.76 129.84 1ibj s ALA 292 Ca -0.01 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 50.86 1ibj s ALA 292 Cb -0.15 -1.53 -0.03 0.00 0.00 0.00 0.00 23.12 21.41 1ibj s ALA 292 CO 0.01 -0.29 -0.10 0.08 0.00 0.00 0.00 175.76 175.46 1ibj s VAL 293 N 1.23 3.41 -0.22 0.00 1.01 0.19 -1.80 120.40 124.22 1ibj s VAL 293 Ca 0.03 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.28 1ibj s VAL 293 Cb -0.14 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 1ibj s VAL 293 CO -0.03 0.55 0.07 -0.75 0.00 0.00 0.00 175.10 174.93 1ibj s LYS 294 N -0.91 3.79 0.00 2.72 2.47 -0.26 0.10 119.74 127.65 1ibj s LYS 294 Ca 0.13 -0.42 0.00 0.00 -1.56 0.00 0.00 55.97 54.12 1ibj s LYS 294 Cb -0.11 -3.27 0.00 0.00 -1.46 0.00 0.00 37.83 32.99 1ibj s LYS 294 CO 0.02 0.02 0.00 0.41 0.16 0.00 0.00 175.35 175.97 1ibj n GLY 295 N 4.29 0.47 0.15 5.54 0.00 -1.26 -4.73 105.19 109.65 1ibj n GLY 295 Ca -0.16 -1.14 -0.09 0.00 0.00 0.00 0.00 46.02 44.63 1ibj n GLY 295 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ibj h GLU 296 N 0.00 0.41 -0.25 1.61 4.39 -1.98 -0.77 114.58 118.00 1ibj h GLU 296 Ca 0.00 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 1ibj h GLU 296 Cb 0.00 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1ibj h GLU 296 CO 0.00 0.29 0.03 0.87 -1.16 0.00 0.00 179.01 179.05 1ibj h LYS 297 N 0.41 0.36 0.08 2.33 1.79 -1.99 -0.49 116.57 119.06 1ibj h LYS 297 Ca 0.11 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1ibj h LYS 297 Cb -0.02 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.56 1ibj h LYS 297 CO -0.02 0.36 -0.04 1.25 -1.08 0.00 0.00 179.45 179.92 1ibj h LEU 298 N 0.36 -0.09 -1.06 2.94 5.85 -1.77 -2.70 115.31 118.85 1ibj h LEU 298 Ca 0.09 -0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.54 1ibj h LEU 298 Cb 0.19 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 1ibj h LEU 298 CO 0.00 0.27 0.63 0.00 -0.34 0.00 0.00 178.44 179.00 1ibj h ALA 299 N 0.41 1.40 0.00 1.25 0.00 -0.80 -0.47 119.26 121.05 1ibj h ALA 299 Ca -0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1ibj h ALA 299 Cb 0.40 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ibj h ALA 299 CO 0.02 0.49 -0.08 0.87 0.00 0.00 0.00 179.25 180.54 1ibj h LYS 300 N 1.19 0.00 0.00 0.00 1.57 -0.92 0.36 116.57 118.76 1ibj h LYS 300 Ca 0.40 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.10 1ibj h LYS 300 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1ibj h LYS 300 CO -0.13 0.08 -0.54 0.93 -0.57 0.00 0.00 179.45 179.22 1ibj h GLU 301 N 0.00 0.00 0.17 3.15 4.39 -0.78 -2.57 114.58 118.94 1ibj h GLU 301 Ca -0.00 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.47 1ibj h GLU 301 Cb 0.17 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.85 1ibj h GLU 301 CO 0.01 0.30 -1.02 0.28 -1.16 0.00 0.00 179.01 177.42 1ibj h VAL 302 N 0.00 1.43 -0.36 3.13 2.07 -0.66 -3.16 116.25 118.71 1ibj h VAL 302 Ca -0.02 -2.57 0.03 0.00 0.82 0.00 0.00 66.70 64.95 1ibj h VAL 302 Cb 1.28 3.14 -0.02 0.00 -1.52 0.00 0.00 31.29 34.17 1ibj h VAL 302 CO 0.04 0.74 0.24 0.22 0.02 0.00 0.00 177.57 178.83 1ibj h TYR 303 N -0.23 0.34 -0.82 1.57 3.20 -1.04 0.19 116.97 120.18 1ibj h TYR 303 Ca -0.18 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.67 1ibj h TYR 303 Cb 1.79 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 39.91 1ibj h TYR 303 CO 0.18 0.20 0.39 0.35 -1.64 0.00 0.00 178.16 177.63 1ibj h PHE 304 N 0.35 1.17 0.00 -3.82 3.57 -1.44 0.09 116.94 116.87 1ibj h PHE 304 Ca 0.15 -0.06 -0.23 0.00 3.53 0.00 0.00 57.97 61.36 1ibj h PHE 304 Cb 0.15 -0.36 -0.04 0.00 2.79 0.00 0.00 35.95 38.49 1ibj h PHE 304 CO -0.00 0.85 -1.26 -0.07 -2.23 0.00 0.00 178.31 175.60 1ibj h LEU 305 N 1.16 0.00 -0.28 0.59 3.38 -1.05 -0.85 115.31 118.27 1ibj h LEU 305 Ca 0.28 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.14 1ibj h LEU 305 Cb 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1ibj h LEU 305 CO -0.04 0.93 -0.28 -0.61 0.09 0.00 0.00 178.44 178.54 1ibj h GLN 306 N 0.00 0.68 0.00 1.13 4.15 -0.49 -1.91 115.11 118.67 1ibj h GLN 306 Ca -0.12 -0.36 0.00 0.00 0.77 0.00 0.00 58.65 58.94 1ibj h GLN 306 Cb 1.82 0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.52 1ibj h GLN 306 CO 0.10 0.97 0.00 -0.97 -1.93 0.00 0.00 178.83 177.00 1ibj h ASN 307 N 0.41 0.00 0.00 -0.69 -0.73 -1.03 -2.59 115.58 110.95 1ibj h ASN 307 Ca 0.04 0.00 -0.27 0.00 1.87 0.00 0.00 56.30 57.94 1ibj h ASN 307 Cb 0.85 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 39.39 1ibj h ASN 307 CO 0.07 0.00 -2.03 -1.20 -0.37 0.00 0.00 177.43 173.90 1ibj n SER 308 N -2.69 1.51 -0.90 1.15 7.64 -0.33 -4.32 113.62 115.68 1ibj n SER 308 Ca 0.03 -0.01 0.11 0.00 1.01 0.00 0.00 58.87 60.01 1ibj n SER 308 Cb 0.38 0.71 0.28 0.00 -1.01 0.00 0.00 64.21 64.56 1ibj n SER 308 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1ibj n GLU 309 N -2.62 2.17 -4.00 1.43 0.28 -0.72 -4.96 120.64 112.22 1ibj n GLU 309 Ca -0.25 -1.77 -0.29 0.00 -0.16 0.00 0.00 57.16 54.68 1ibj n GLU 309 Cb 0.97 -1.46 -0.01 0.00 1.43 0.00 0.00 31.44 32.37 1ibj n GLU 309 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ibj n GLY 310 N 1.34 -0.34 1.44 -1.84 0.00 -1.13 -4.93 105.19 99.74 1ibj n GLY 310 Ca 0.18 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.43 1ibj n GLY 310 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ibj n SER 311 N -2.87 4.87 -4.77 1.61 7.64 -0.99 -5.01 113.62 114.09 1ibj n SER 311 Ca -0.14 -2.90 -0.41 0.00 1.01 0.00 0.00 58.87 56.43 1ibj n SER 311 Cb 0.60 -0.61 -0.01 0.00 -1.01 0.00 0.00 64.21 63.18 1ibj n SER 311 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ibj s GLY 312 N -1.25 2.59 0.33 0.23 0.00 -1.26 -0.28 107.32 107.68 1ibj s GLY 312 Ca 0.49 1.56 -0.29 0.00 0.00 0.00 0.00 44.72 46.48 1ibj s GLY 312 CO 0.14 2.37 1.43 -0.10 0.00 0.00 0.00 173.10 176.94 1ibj n LEU 313 N 1.21 4.01 -4.76 0.66 7.94 -0.38 -4.35 117.00 121.32 1ibj n LEU 313 Ca 0.04 1.19 -0.36 0.00 -1.11 0.00 0.00 56.01 55.77 1ibj n LEU 313 Cb 0.39 -1.54 0.02 0.00 0.53 0.00 0.00 43.42 42.82 1ibj n LEU 313 CO 0.63 -0.17 0.85 0.00 -1.11 0.00 0.00 177.39 177.60 1ibj s ALA 314 N -0.72 2.69 0.27 1.96 0.00 -1.26 -4.81 121.76 119.89 1ibj s ALA 314 Ca 0.58 1.02 0.01 0.00 0.00 0.00 0.00 51.96 53.57 1ibj s ALA 314 Cb -0.54 -3.44 0.60 0.00 0.00 0.00 0.00 23.12 19.74 1ibj s ALA 314 CO 0.58 -1.05 1.76 -1.35 0.00 0.00 0.00 175.76 175.70 1ibj h PRO 315 N 1.23 0.62 -0.03 0.00 0.11 -1.92 0.41 132.00 132.42 1ibj h PRO 315 Ca -0.50 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 1ibj h PRO 315 Cb 1.28 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1ibj h PRO 315 CO 0.57 0.41 -0.01 0.35 -0.21 0.00 0.00 178.00 179.11 1ibj h PHE 316 N 0.64 0.07 -0.90 0.65 3.57 -1.92 -1.17 116.94 117.88 1ibj h PHE 316 Ca 0.50 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 62.06 1ibj h PHE 316 Cb 0.74 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.40 1ibj h PHE 316 CO -0.07 0.41 0.59 -0.44 -2.23 0.00 0.00 178.31 176.56 1ibj h ASP 317 N -0.28 0.86 -0.72 0.41 5.19 -1.81 0.28 116.42 120.34 1ibj h ASP 317 Ca 0.01 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.42 1ibj h ASP 317 Cb 0.39 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 39.69 1ibj h ASP 317 CO 0.00 0.53 0.39 0.00 -3.12 0.00 0.00 179.24 177.05 1ibj h TRP 319 N 1.00 0.97 -0.18 0.00 7.01 -0.05 0.51 115.95 125.20 1ibj h TRP 319 Ca 0.25 -0.09 -0.08 0.00 2.11 0.00 0.00 58.89 61.08 1ibj h TRP 319 Cb 0.04 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 26.81 1ibj h TRP 319 CO -0.00 0.80 -0.24 -0.07 -2.79 0.00 0.00 178.44 176.14 1ibj h LEU 320 N 0.86 0.32 -0.29 0.65 3.38 -0.64 0.45 115.31 120.04 1ibj h LEU 320 Ca 0.20 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 1ibj h LEU 320 Cb 0.28 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1ibj h LEU 320 CO -0.01 0.57 -0.24 0.00 0.09 0.00 0.00 178.44 178.85 1ibj h LEU 322 N 0.42 0.86 -0.44 0.00 3.38 0.32 0.48 115.31 120.34 1ibj h LEU 322 Ca 0.05 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 1ibj h LEU 322 Cb 0.79 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1ibj h LEU 322 CO 0.06 0.70 -0.47 -0.09 0.09 0.00 0.00 178.44 178.73 1ibj h ARG 323 N 0.96 0.78 -0.01 1.13 2.43 -0.63 -3.25 114.38 115.79 1ibj h ARG 323 Ca 0.24 -0.45 -0.25 0.00 -0.81 0.00 0.00 59.98 58.72 1ibj h ARG 323 Cb 0.04 0.03 0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1ibj h ARG 323 CO -0.04 1.08 -0.99 0.78 -1.51 0.00 0.00 179.97 179.29 1ibj h GLY 324 N 0.86 0.66 1.17 2.80 0.00 -0.63 -3.26 103.07 104.67 1ibj h GLY 324 Ca 0.03 -1.15 0.12 0.00 0.00 0.00 0.00 47.33 46.33 1ibj h GLY 324 CO 0.10 1.02 0.30 1.19 0.00 0.00 0.00 176.54 179.15 1ibj h ILE 325 N 0.34 0.77 -0.99 2.60 2.10 -0.62 -2.61 117.51 119.10 1ibj h ILE 325 Ca -0.11 0.00 0.21 0.00 1.08 0.00 0.00 64.86 66.05 1ibj h ILE 325 Cb 1.64 0.79 -0.10 0.00 -1.09 0.00 0.00 36.82 38.06 1ibj h ILE 325 CO 0.19 0.00 0.62 0.11 -1.08 0.00 0.00 178.15 177.99 1ibj h LYS 326 N 0.00 0.58 -0.65 2.19 1.57 -1.62 0.17 116.57 118.80 1ibj h LYS 326 Ca 0.20 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1ibj h LYS 326 Cb 0.80 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1ibj h LYS 326 CO -0.00 0.38 0.00 0.25 -0.57 0.00 0.00 179.45 179.51 1ibj n THR 327 N -4.69 1.74 -0.15 -0.16 -2.24 -0.98 -4.57 114.28 103.22 1ibj n THR 327 Ca 0.23 -1.11 -0.04 0.00 -2.27 0.00 0.00 64.05 60.86 1ibj n THR 327 Cb 0.68 0.09 0.05 0.00 -2.10 0.00 0.00 70.33 69.05 1ibj n THR 327 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 1ibj h MET 328 N 3.88 0.38 -0.54 -0.78 -1.53 -0.73 0.51 114.93 116.12 1ibj h MET 328 Ca 0.00 -0.02 -0.08 0.00 -3.44 0.00 0.00 59.70 56.16 1ibj h MET 328 Cb 1.40 -0.09 -0.02 0.00 -0.55 0.00 0.00 31.60 32.34 1ibj h MET 328 CO 0.23 0.25 0.02 0.00 0.14 0.00 0.00 176.91 177.55 1ibj h ALA 329 N 1.29 0.72 -0.37 0.39 0.00 -1.83 0.61 119.26 120.06 1ibj h ALA 329 Ca 0.22 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1ibj h ALA 329 Cb 0.19 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1ibj h ALA 329 CO -0.20 0.53 0.14 1.25 0.00 0.00 0.00 179.25 180.97 1ibj h LEU 330 N 0.81 0.52 -0.32 0.00 5.85 -1.75 -1.48 115.31 118.93 1ibj h LEU 330 Ca 0.15 -0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.59 1ibj h LEU 330 Cb 0.51 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1ibj h LEU 330 CO 0.02 0.55 -0.24 0.03 -0.34 0.00 0.00 178.44 178.46 1ibj h ARG 331 N 0.46 0.73 -0.53 1.25 3.08 0.20 -2.83 114.38 116.74 1ibj h ARG 331 Ca 0.12 -0.36 -0.09 0.00 0.07 0.00 0.00 59.98 59.72 1ibj h ARG 331 Cb 0.20 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1ibj h ARG 331 CO -0.01 0.97 -0.04 0.82 -1.07 0.00 0.00 179.97 180.65 1ibj h ILE 332 N 0.50 1.27 -0.47 2.04 2.04 -0.88 -0.91 117.51 121.09 1ibj h ILE 332 Ca 0.06 -1.16 0.08 0.00 1.00 0.00 0.00 64.86 64.84 1ibj h ILE 332 Cb 0.80 0.94 -0.07 0.00 -0.74 0.00 0.00 36.82 37.75 1ibj h ILE 332 CO 0.06 0.41 0.06 -0.08 0.00 0.00 0.00 178.15 178.61 1ibj h GLU 333 N 0.84 0.18 -0.06 2.37 4.81 -1.23 0.60 114.58 122.10 1ibj h GLU 333 Ca 0.15 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.27 1ibj h GLU 333 Cb 0.58 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1ibj h GLU 333 CO 0.03 0.12 -0.34 -0.22 -0.73 0.00 0.00 179.01 177.87 1ibj h LYS 334 N 0.19 0.34 -0.15 1.92 1.63 -1.35 -3.19 116.57 115.97 1ibj h LYS 334 Ca 0.24 -0.29 0.04 0.00 -0.85 0.00 0.00 60.65 59.80 1ibj h LYS 334 Cb 0.33 0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 31.97 1ibj h LYS 334 CO -0.34 0.93 -0.16 1.96 -3.45 0.00 0.00 179.45 178.40 1ibj h GLN 335 N -0.16 -0.18 -0.79 1.90 4.20 -0.88 -1.62 115.11 117.58 1ibj h GLN 335 Ca -0.03 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.74 1ibj h GLN 335 Cb 1.00 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.77 1ibj h GLN 335 CO 0.07 -0.12 0.50 0.37 -0.67 0.00 0.00 178.83 178.98 1ibj h GLN 336 N -0.18 0.92 0.00 1.46 4.15 -1.01 -1.25 115.11 119.19 1ibj h GLN 336 Ca 0.10 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.41 1ibj h GLN 336 Cb 0.33 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 1ibj h GLN 336 CO -0.26 0.61 -0.26 1.49 -1.93 0.00 0.00 178.83 178.48 1ibj h GLU 337 N 0.95 0.00 -0.27 1.69 4.57 -1.37 -1.11 114.58 119.03 1ibj h GLU 337 Ca 0.33 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.33 1ibj h GLU 337 Cb 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1ibj h GLU 337 CO -0.13 0.26 -0.50 -0.91 -1.18 0.00 0.00 179.01 176.55 1ibj h ASN 338 N 0.00 0.91 -0.66 1.04 2.35 -0.57 -2.75 115.58 115.90 1ibj h ASN 338 Ca -0.00 -0.53 -0.01 0.00 -0.55 0.00 0.00 56.30 55.20 1ibj h ASN 338 Cb 0.52 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 1ibj h ASN 338 CO 0.03 1.27 0.36 0.00 -1.65 0.00 0.00 177.43 177.44 1ibj h ALA 339 N 0.67 0.85 -0.32 -0.83 0.00 -0.62 -1.05 119.26 117.95 1ibj h ALA 339 Ca 0.02 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1ibj h ALA 339 Cb 1.10 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1ibj h ALA 339 CO 0.11 0.37 0.15 -0.09 0.00 0.00 0.00 179.25 179.79 1ibj h ARG 340 N 0.91 0.31 -0.03 0.00 2.43 -1.13 0.41 114.38 117.29 1ibj h ARG 340 Ca 0.23 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.27 1ibj h ARG 340 Cb 0.05 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1ibj h ARG 340 CO -0.04 0.21 -0.52 0.87 -1.51 0.00 0.00 179.97 178.99 1ibj h LYS 341 N 0.32 0.07 0.00 0.20 1.57 -1.19 -1.16 116.57 116.39 1ibj h LYS 341 Ca 0.13 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.72 1ibj h LYS 341 Cb 0.05 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1ibj h LYS 341 CO -0.10 0.57 -0.79 0.82 -0.57 0.00 0.00 179.45 179.38 1ibj h ILE 342 N 0.05 1.10 -0.21 1.86 2.04 -0.90 -1.88 117.51 119.58 1ibj h ILE 342 Ca -0.00 -2.60 -0.18 0.00 1.00 0.00 0.00 64.86 63.08 1ibj h ILE 342 Cb 0.93 2.53 0.00 0.00 -0.74 0.00 0.00 36.82 39.54 1ibj h ILE 342 CO 0.07 0.63 -0.56 0.00 0.00 0.00 0.00 178.15 178.29 1ibj h ALA 343 N 1.31 0.34 -0.36 1.87 0.00 -0.71 -1.91 119.26 119.81 1ibj h ALA 343 Ca -0.03 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 54.25 1ibj h ALA 343 Cb 1.55 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1ibj h ALA 343 CO 0.08 0.56 -0.24 0.52 0.00 0.00 0.00 179.25 180.18 1ibj h MET 344 N 0.46 0.72 -0.44 0.00 2.86 -1.20 0.20 114.93 117.53 1ibj h MET 344 Ca -0.01 -0.29 -0.12 0.00 -2.06 0.00 0.00 59.70 57.22 1ibj h MET 344 Cb 1.17 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.79 1ibj h MET 344 CO 0.12 0.89 -0.19 -0.92 1.06 0.00 0.00 176.91 177.87 1ibj h TYR 345 N 0.63 0.99 0.01 -0.22 3.20 -1.30 -3.06 116.97 117.23 1ibj h TYR 345 Ca 0.09 -0.22 -0.20 0.00 3.14 0.00 0.00 58.73 61.54 1ibj h TYR 345 Cb 0.74 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 1ibj h TYR 345 CO 0.04 0.99 -0.90 -0.07 -1.64 0.00 0.00 178.16 176.58 1ibj h LEU 346 N 0.77 0.22 -0.79 2.82 3.38 -1.22 -3.18 115.31 117.31 1ibj h LEU 346 Ca 0.11 -0.18 0.07 0.00 0.09 0.00 0.00 57.88 57.96 1ibj h LEU 346 Cb 0.73 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.35 1ibj h LEU 346 CO 0.06 1.00 0.47 -1.28 0.09 0.00 0.00 178.44 178.78 1ibj h SER 347 N 0.09 0.71 -0.69 -0.43 0.87 -0.49 -2.09 113.55 111.52 1ibj h SER 347 Ca -0.04 0.03 -0.15 0.00 -1.23 0.00 0.00 61.79 60.39 1ibj h SER 347 Cb 1.54 -0.12 -0.09 0.00 -0.44 0.00 0.00 62.40 63.29 1ibj h SER 347 CO 0.13 0.45 0.19 -1.54 -0.53 0.00 0.00 176.83 175.54 1ibj n SER 348 N -4.70 5.09 -4.75 6.23 3.41 -1.20 -4.95 113.62 112.75 1ibj n SER 348 Ca 0.11 -3.11 -0.37 0.00 -0.26 0.00 0.00 58.87 55.24 1ibj n SER 348 Cb 0.19 -0.73 -0.06 0.00 -0.26 0.00 0.00 64.21 63.35 1ibj n SER 348 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1ibj s HIS 349 N -2.88 3.54 0.43 7.33 5.04 -0.79 -4.98 115.29 122.99 1ibj s HIS 349 Ca 0.54 0.80 0.21 0.00 -1.54 0.00 0.00 55.06 55.07 1ibj s HIS 349 Cb 0.43 -2.42 1.18 0.00 0.04 0.00 0.00 32.58 31.81 1ibj s HIS 349 CO 0.14 0.29 1.82 -1.35 -2.34 0.00 0.00 174.74 173.30 1ibj h PRO 350 N 6.29 0.31 -0.14 2.88 0.11 -1.92 -2.23 132.00 137.31 1ibj h PRO 350 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1ibj h PRO 350 Cb 1.18 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1ibj h PRO 350 CO 0.73 0.21 0.00 0.54 -0.21 0.00 0.00 178.00 179.26 1ibj n ARG 351 N -4.50 2.06 -3.78 1.05 1.74 -1.26 -4.86 116.66 107.11 1ibj n ARG 351 Ca 0.22 -1.57 -0.36 0.00 -0.77 0.00 0.00 57.85 55.37 1ibj n ARG 351 Cb 0.85 -1.46 -0.13 0.00 -1.02 0.00 0.00 32.46 30.71 1ibj n ARG 351 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ibj s VAL 352 N -1.84 4.27 0.08 1.55 1.01 -0.84 -4.69 120.40 119.95 1ibj s VAL 352 Ca 0.34 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.17 1ibj s VAL 352 Cb 0.20 -2.99 -0.24 0.00 0.00 0.00 0.00 36.38 33.35 1ibj s VAL 352 CO 0.30 0.35 1.14 0.11 0.00 0.00 0.00 175.10 177.00 1ibj h LYS 353 N 8.15 0.10 -2.13 2.72 1.57 -1.37 -3.44 116.57 122.16 1ibj h LYS 353 Ca -0.38 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.17 1ibj h LYS 353 Cb 1.17 0.06 -0.19 0.00 0.08 0.00 0.00 32.23 33.36 1ibj h LYS 353 CO 0.58 1.02 0.14 0.21 -0.57 0.00 0.00 179.45 180.84 1ibj s LYS 354 N -2.67 1.03 -0.08 3.15 2.20 -1.22 -4.97 119.74 117.18 1ibj s LYS 354 Ca -0.02 0.20 -0.00 0.00 -0.36 0.00 0.00 55.97 55.78 1ibj s LYS 354 Cb 0.09 0.48 0.02 0.00 -1.51 0.00 0.00 37.83 36.91 1ibj s LYS 354 CO 0.84 -0.32 -0.04 0.08 -0.36 0.00 0.00 175.35 175.55 1ibj s VAL 355 N -1.27 0.64 -0.26 4.02 1.01 -1.26 -1.64 120.40 121.64 1ibj s VAL 355 Ca -0.11 -0.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.66 1ibj s VAL 355 Cb -0.01 -0.71 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 1ibj s VAL 355 CO 0.09 0.29 0.22 -0.31 0.00 0.00 0.00 175.10 175.38 1ibj s TYR 356 N 1.54 3.26 -0.30 5.22 1.51 -0.32 -5.01 117.35 123.26 1ibj s TYR 356 Ca -0.00 0.22 -0.14 0.00 -1.01 0.00 0.00 57.07 56.13 1ibj s TYR 356 Cb -0.13 -2.38 0.18 0.00 -0.11 0.00 0.00 41.96 39.52 1ibj s TYR 356 CO -0.04 -0.09 1.07 -0.47 -1.11 0.00 0.00 175.55 174.92 1ibj s TYR 357 N 1.54 -0.49 -0.53 2.71 5.04 -1.26 -2.75 117.35 121.61 1ibj s TYR 357 Ca 0.09 0.62 0.09 0.00 -2.44 0.00 0.00 57.07 55.43 1ibj s TYR 357 Cb -0.15 0.21 0.48 0.00 0.35 0.00 0.00 41.96 42.85 1ibj s TYR 357 CO 0.09 -0.26 1.22 0.00 -1.34 0.00 0.00 175.55 175.26 1ibj n ALA 358 N 5.24 0.90 0.13 3.97 0.00 -1.26 -1.17 120.51 128.31 1ibj n ALA 358 Ca -0.07 0.08 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1ibj n ALA 358 Cb 0.54 -1.01 0.03 0.00 0.00 0.00 0.00 19.45 19.01 1ibj n ALA 358 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ibj h GLY 359 N 0.00 0.00 -4.48 0.00 0.00 -1.96 -3.42 103.07 93.22 1ibj h GLY 359 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 1ibj h GLY 359 CO 0.00 0.00 0.81 1.08 0.00 0.00 0.00 176.54 178.43 1ibj s LEU 360 N -6.06 4.38 0.45 3.11 1.43 -0.32 -4.87 118.68 116.81 1ibj s LEU 360 Ca 0.02 2.56 0.21 0.00 -1.03 0.00 0.00 54.13 55.90 1ibj s LEU 360 Cb 0.08 -3.60 1.20 0.00 0.03 0.00 0.00 46.19 43.89 1ibj s LEU 360 CO 0.75 -0.75 1.87 -0.65 0.23 0.00 0.00 176.35 177.81 1ibj h PRO 361 N 6.27 0.28 0.00 1.29 0.11 -1.88 0.23 132.00 138.29 1ibj h PRO 361 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1ibj h PRO 361 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1ibj h PRO 361 CO 0.86 0.18 0.00 -3.47 -0.21 0.00 0.00 178.00 175.36 1ibj n ASP 362 N -4.45 0.00 -4.67 -2.05 -0.08 -1.26 -4.89 116.55 99.15 1ibj n ASP 362 Ca 0.18 -0.80 -0.43 0.00 -1.51 0.00 0.00 54.79 52.24 1ibj n ASP 362 Cb 0.75 -0.04 -0.02 0.00 2.34 0.00 0.00 41.12 44.15 1ibj n ASP 362 CO 0.00 0.00 0.00 -2.28 0.12 0.00 0.00 177.20 175.04 1ibj s HIS 363 N -2.08 2.90 -0.15 -0.67 2.46 0.07 -4.95 115.29 112.87 1ibj s HIS 363 Ca 0.41 1.03 -0.29 0.00 0.47 0.00 0.00 55.06 56.68 1ibj s HIS 363 Cb 0.20 -3.50 -0.06 0.00 -0.13 0.00 0.00 32.58 29.08 1ibj s HIS 363 CO 0.35 -1.69 2.15 -2.30 -2.47 0.00 0.00 174.74 170.78 1ibj n PRO 364 N 6.29 2.21 0.00 2.88 -0.02 -1.26 0.05 135.00 145.16 1ibj n PRO 364 Ca 0.13 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1ibj n PRO 364 Cb 0.45 -3.16 0.00 0.00 -0.02 0.00 0.00 33.50 30.77 1ibj n PRO 364 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ibj n GLY 365 N 5.43 2.33 0.01 -1.23 0.00 -1.26 -4.62 105.19 105.84 1ibj n GLY 365 Ca 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.29 1ibj n GLY 365 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ibj n HIS 366 N -0.29 -0.01 -0.31 1.61 -0.00 0.11 -0.49 115.22 115.84 1ibj n HIS 366 Ca 0.00 0.03 0.07 0.00 -0.00 0.00 0.00 57.72 57.82 1ibj n HIS 366 Cb 0.00 -0.40 0.28 0.00 -0.00 0.00 0.00 29.99 29.87 1ibj n HIS 366 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1ibj h HIS 367 N 0.00 1.02 -0.21 1.57 -0.00 -1.90 -1.89 115.15 113.73 1ibj h HIS 367 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1ibj h HIS 367 Cb 0.01 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 27.08 1ibj h HIS 367 CO -0.74 0.46 0.14 1.25 -0.00 0.00 0.00 177.93 179.03 1ibj h LEU 368 N 0.93 0.25 0.28 0.26 5.85 -1.50 -2.89 115.31 118.48 1ibj h LEU 368 Ca 0.44 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 59.14 1ibj h LEU 368 Cb 0.41 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1ibj h LEU 368 CO -0.20 0.19 -0.37 -0.74 -0.34 0.00 0.00 178.44 176.99 1ibj h HIS 369 N 0.28 -1.00 0.00 1.25 2.76 -0.01 -2.43 115.15 116.00 1ibj h HIS 369 Ca 0.08 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 1ibj h HIS 369 Cb -0.02 0.40 0.00 0.00 1.55 0.00 0.00 27.41 29.35 1ibj h HIS 369 CO -0.06 -0.50 0.00 1.19 -1.30 0.00 0.00 177.93 177.26 1ibj n PHE 370 N -5.46 0.00 0.44 5.26 3.01 -0.91 -0.74 117.46 119.07 1ibj n PHE 370 Ca -0.09 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.49 1ibj n PHE 370 Cb 0.37 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.88 1ibj n PHE 370 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1ibj n SER 371 N -0.89 0.65 -0.39 4.37 3.41 -0.92 -4.09 113.62 115.77 1ibj n SER 371 Ca 0.08 -0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.73 1ibj n SER 371 Cb 0.03 0.62 0.07 0.00 -0.26 0.00 0.00 64.21 64.68 1ibj n SER 371 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ibj n GLN 372 N -2.16 0.61 -3.52 4.33 10.64 0.08 -5.09 117.38 122.27 1ibj n GLN 372 Ca 0.02 -1.83 -0.11 0.00 -1.83 0.00 0.00 57.00 53.25 1ibj n GLN 372 Cb 0.47 -0.94 -0.03 0.00 -0.86 0.00 0.00 30.24 28.88 1ibj n GLN 372 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ibj s ALA 373 N -1.35 -1.82 -2.63 2.61 0.00 -0.53 -4.68 121.76 113.37 1ibj s ALA 373 Ca 0.17 1.15 0.23 0.00 0.00 0.00 0.00 51.96 53.50 1ibj s ALA 373 Cb 0.16 0.12 0.29 0.00 0.00 0.00 0.00 23.12 23.68 1ibj s ALA 373 CO -0.00 -0.56 1.29 1.63 0.00 0.00 0.00 175.76 178.12 1ibj n LYS 374 N 0.14 2.30 -3.51 0.00 5.02 0.22 -4.31 118.16 118.03 1ibj n LYS 374 Ca -0.11 -2.04 -0.09 0.00 -2.02 0.00 0.00 58.31 54.05 1ibj n LYS 374 Cb 0.60 -1.46 -0.02 0.00 -0.02 0.00 0.00 35.03 34.13 1ibj n LYS 374 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1ibj s GLY 375 N -1.69 -0.46 0.19 0.72 0.00 -1.26 -5.03 107.32 99.79 1ibj s GLY 375 Ca 0.32 1.09 0.10 0.00 0.00 0.00 0.00 44.72 46.22 1ibj s GLY 375 CO 0.29 0.41 1.38 0.00 0.00 0.00 0.00 173.10 175.18 1ibj h ALA 376 N 2.08 0.53 0.00 3.20 0.00 -1.94 -3.49 119.26 119.64 1ibj h ALA 376 Ca -0.23 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 53.95 1ibj h ALA 376 Cb 1.24 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1ibj h ALA 376 CO 0.31 1.01 0.00 0.41 0.00 0.00 0.00 179.25 180.99 1ibj n GLY 377 N 1.15 -0.88 0.11 0.00 0.00 -1.26 -4.74 105.19 99.57 1ibj n GLY 377 Ca 0.00 -2.16 0.02 0.00 0.00 0.00 0.00 46.02 43.88 1ibj n GLY 377 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ibj n SER 378 N 0.00 0.93 -4.38 1.61 3.41 -1.26 -4.32 113.62 109.60 1ibj n SER 378 Ca 0.00 -1.81 -0.33 0.00 -0.26 0.00 0.00 58.87 56.48 1ibj n SER 378 Cb 0.00 -0.11 -0.14 0.00 -0.26 0.00 0.00 64.21 63.70 1ibj n SER 378 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ibj s VAL 379 N -0.73 2.87 0.33 -3.33 1.01 -1.26 -0.92 120.40 118.37 1ibj s VAL 379 Ca 0.05 -0.75 -0.15 0.00 0.00 0.00 0.00 61.98 61.13 1ibj s VAL 379 Cb 0.04 -2.16 0.03 0.00 0.00 0.00 0.00 36.38 34.29 1ibj s VAL 379 CO 0.00 0.55 0.69 0.72 0.00 0.00 0.00 175.10 177.07 1ibj s PHE 380 N 0.01 0.17 0.26 5.22 -0.12 -0.67 -4.92 117.98 117.92 1ibj s PHE 380 Ca -0.05 -0.69 -0.10 0.00 -0.05 0.00 0.00 56.93 56.05 1ibj s PHE 380 Cb -0.14 0.61 -0.01 0.00 -0.63 0.00 0.00 43.02 42.85 1ibj s PHE 380 CO 0.04 -1.35 0.44 -1.54 -0.05 0.00 0.00 175.22 172.76 1ibj s SER 381 N -3.04 0.09 0.18 1.98 1.04 -1.11 -0.83 113.70 112.01 1ibj s SER 381 Ca 0.17 -1.08 -0.16 0.00 0.48 0.00 0.00 55.95 55.35 1ibj s SER 381 Cb -0.04 0.57 0.03 0.00 0.10 0.00 0.00 66.02 66.68 1ibj s SER 381 CO 0.11 -1.13 0.47 0.72 0.98 0.00 0.00 173.24 174.39 1ibj s PHE 382 N -3.86 -0.09 0.17 5.02 -0.12 0.07 -1.17 117.98 118.00 1ibj s PHE 382 Ca 0.26 -0.25 0.09 0.00 -0.05 0.00 0.00 56.93 56.98 1ibj s PHE 382 Cb 0.00 0.32 -0.04 0.00 -0.63 0.00 0.00 43.02 42.67 1ibj s PHE 382 CO 0.11 -0.85 -0.10 0.42 -0.05 0.00 0.00 175.22 174.75 1ibj s ILE 383 N -3.87 3.16 0.00 -4.49 1.01 -0.65 -1.08 121.20 115.29 1ibj s ILE 383 Ca 0.08 -1.64 0.00 0.00 0.00 0.00 0.00 60.65 59.10 1ibj s ILE 383 Cb 0.00 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 39.91 1ibj s ILE 383 CO -0.05 -0.09 0.33 0.35 0.00 0.00 0.00 174.94 175.48 1ibj n THR 384 N 0.11 0.09 -0.34 2.92 -2.24 -1.26 -1.03 114.28 112.53 1ibj n THR 384 Ca -0.11 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1ibj n THR 384 Cb 0.55 1.39 0.00 0.00 -2.10 0.00 0.00 70.33 70.17 1ibj n THR 384 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ibj n GLY 385 N -0.04 0.00 2.87 3.38 0.00 -1.26 -4.78 105.19 105.36 1ibj n GLY 385 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1ibj n GLY 385 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ibj s SER 386 N -1.85 4.26 0.39 1.61 0.15 -1.26 -4.99 113.70 112.02 1ibj s SER 386 Ca 0.00 -2.28 0.12 0.00 0.70 0.00 0.00 55.95 54.49 1ibj s SER 386 Cb 0.00 -1.31 0.93 0.00 -1.71 0.00 0.00 66.02 63.93 1ibj s SER 386 CO 0.00 -0.34 1.88 0.58 1.20 0.00 0.00 173.24 176.56 1ibj h VAL 387 N 6.09 0.80 0.00 4.45 2.07 -1.88 0.79 116.25 128.56 1ibj h VAL 387 Ca -0.07 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 1ibj h VAL 387 Cb 0.97 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1ibj h VAL 387 CO 0.53 0.10 -0.19 0.00 0.02 0.00 0.00 177.57 178.04 1ibj h ALA 388 N 1.62 1.00 0.21 1.67 0.00 -1.96 -1.44 119.26 120.35 1ibj h ALA 388 Ca 0.43 -0.17 -0.34 0.00 0.00 0.00 0.00 54.91 54.83 1ibj h ALA 388 Cb 0.83 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.61 1ibj h ALA 388 CO -0.18 0.23 -1.58 1.25 0.00 0.00 0.00 179.25 178.97 1ibj h LEU 389 N 0.00 0.71 -0.31 0.00 5.85 -1.33 -3.14 115.31 117.09 1ibj h LEU 389 Ca -0.00 -0.87 -0.02 0.00 0.84 0.00 0.00 57.88 57.82 1ibj h LEU 389 Cb 0.75 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1ibj h LEU 389 CO 0.02 1.71 0.11 0.28 -0.34 0.00 0.00 178.44 180.22 1ibj h SER 390 N 0.12 0.44 -0.77 1.25 0.02 -0.91 -0.78 113.55 112.92 1ibj h SER 390 Ca -0.29 -0.19 0.02 0.00 -0.84 0.00 0.00 61.79 60.50 1ibj h SER 390 Cb 2.13 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 64.51 1ibj h SER 390 CO 0.23 0.51 0.50 0.11 -1.14 0.00 0.00 176.83 177.04 1ibj h LYS 391 N 0.34 0.97 -0.18 3.45 1.57 -1.40 -1.63 116.57 119.69 1ibj h LYS 391 Ca 0.10 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1ibj h LYS 391 Cb 0.22 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1ibj h LYS 391 CO -0.01 0.64 0.11 1.25 -0.57 0.00 0.00 179.45 180.88 1ibj h HIS 392 N 1.00 0.20 -0.18 -1.35 2.76 -1.44 0.25 115.15 116.40 1ibj h HIS 392 Ca 0.30 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.50 1ibj h HIS 392 Cb -0.06 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 28.81 1ibj h HIS 392 CO -0.03 0.12 -0.01 -0.07 -1.30 0.00 0.00 177.93 176.65 1ibj h LEU 393 N 0.22 -0.10 -0.33 0.26 3.38 -0.72 0.48 115.31 118.51 1ibj h LEU 393 Ca 0.07 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.12 1ibj h LEU 393 Cb -0.01 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1ibj h LEU 393 CO -0.03 -0.02 0.11 0.58 0.09 0.00 0.00 178.44 179.16 1ibj h VAL 394 N 0.04 0.90 0.00 1.22 2.07 -0.91 -2.32 116.25 117.25 1ibj h VAL 394 Ca 0.09 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1ibj h VAL 394 Cb 0.12 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1ibj h VAL 394 CO -0.16 0.04 -0.61 -0.62 0.02 0.00 0.00 177.57 176.25 1ibj n GLU 395 N -5.03 0.19 -0.06 1.57 1.02 0.84 -4.31 120.64 114.86 1ibj n GLU 395 Ca 0.00 0.05 -0.14 0.00 -0.02 0.00 0.00 57.16 57.06 1ibj n GLU 395 Cb 0.12 -1.61 -0.14 0.00 -0.02 0.00 0.00 31.44 29.79 1ibj n GLU 395 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1ibj n THR 396 N -1.88 1.55 -1.68 2.62 -1.04 0.17 -4.95 114.28 109.07 1ibj n THR 396 Ca 0.04 -0.74 -0.44 0.00 -2.04 0.00 0.00 64.05 60.87 1ibj n THR 396 Cb 0.40 -1.08 -0.02 0.00 -1.82 0.00 0.00 70.33 67.81 1ibj n THR 396 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1ibj n THR 397 N -3.09 1.51 0.14 12.58 -2.24 -0.88 -4.92 114.28 117.38 1ibj n THR 397 Ca -0.31 -0.38 0.11 0.00 -2.27 0.00 0.00 64.05 61.21 1ibj n THR 397 Cb 1.07 -1.47 -0.05 0.00 -2.10 0.00 0.00 70.33 67.78 1ibj n THR 397 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ibj n LYS 398 N 1.25 0.58 0.00 -0.78 4.76 -1.26 -4.39 118.16 118.32 1ibj n LYS 398 Ca 0.08 0.01 0.09 0.00 -2.87 0.00 0.00 58.31 55.62 1ibj n LYS 398 Cb 0.34 -1.70 0.05 0.00 -1.84 0.00 0.00 35.03 31.87 1ibj n LYS 398 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1ibj n TYR 399 N -2.45 0.00 -4.76 2.13 0.53 -1.26 -4.93 117.16 106.42 1ibj n TYR 399 Ca -0.01 0.00 -0.33 0.00 -1.02 0.00 0.00 57.90 56.54 1ibj n TYR 399 Cb 0.54 0.00 -0.13 0.00 -1.03 0.00 0.00 39.34 38.72 1ibj n TYR 399 CO 0.00 0.00 0.00 -0.06 -1.02 0.00 0.00 176.86 175.78 1ibj s PHE 400 N -1.65 2.81 -0.06 -0.72 0.40 -1.26 -4.47 117.98 113.03 1ibj s PHE 400 Ca 0.19 -0.16 -0.08 0.00 -0.60 0.00 0.00 56.93 56.28 1ibj s PHE 400 Cb 0.15 -1.70 -0.04 0.00 0.51 0.00 0.00 43.02 41.93 1ibj s PHE 400 CO 0.29 0.18 0.22 -1.12 0.70 0.00 0.00 175.22 175.49 1ibj s SER 401 N -0.58 6.49 -0.55 1.36 0.01 -0.60 -4.81 113.70 115.01 1ibj s SER 401 Ca 0.08 0.57 -0.26 0.00 1.31 0.00 0.00 55.95 57.65 1ibj s SER 401 Cb -0.12 -2.10 0.03 0.00 0.21 0.00 0.00 66.02 64.05 1ibj s SER 401 CO 0.02 0.34 1.06 -0.63 0.41 0.00 0.00 173.24 174.43 1ibj s ILE 402 N -1.13 4.23 0.19 1.44 1.01 -1.26 -0.94 121.20 124.73 1ibj s ILE 402 Ca 0.21 0.62 -0.23 0.00 0.00 0.00 0.00 60.65 61.24 1ibj s ILE 402 Cb -0.13 -4.62 0.05 0.00 0.01 0.00 0.00 42.46 37.78 1ibj s ILE 402 CO 0.10 -1.19 0.71 0.00 0.00 0.00 0.00 174.94 174.56 1ibj s ALA 403 N 4.39 -1.49 0.77 9.38 0.00 -1.20 -4.98 121.76 128.63 1ibj s ALA 403 Ca 0.37 0.22 -0.08 0.00 0.00 0.00 0.00 51.96 52.48 1ibj s ALA 403 Cb -0.10 0.80 0.11 0.00 0.00 0.00 0.00 23.12 23.94 1ibj s ALA 403 CO 0.23 -0.88 1.09 0.14 0.00 0.00 0.00 175.76 176.33 1ibj s VAL 404 N -3.70 2.17 0.02 0.00 -7.23 -1.26 -4.56 120.40 105.83 1ibj s VAL 404 Ca 0.06 -0.28 0.00 0.00 -1.81 0.00 0.00 61.98 59.95 1ibj s VAL 404 Cb -0.03 -2.89 0.00 0.00 0.56 0.00 0.00 36.38 34.02 1ibj s VAL 404 CO -0.04 0.00 0.00 -1.54 -0.31 0.00 0.00 175.10 173.21 1ibj n SER 405 N -3.12 -4.76 -2.79 4.85 3.41 -1.26 -5.05 113.62 104.90 1ibj n SER 405 Ca 0.11 0.08 -0.07 0.00 -0.26 0.00 0.00 58.87 58.73 1ibj n SER 405 Cb 0.60 -0.22 0.03 0.00 -0.26 0.00 0.00 64.21 64.36 1ibj n SER 405 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1ibj n PHE 406 N -1.67 -2.09 -0.88 7.33 1.16 -1.26 -4.88 117.46 115.16 1ibj n PHE 406 Ca 0.00 -1.64 0.00 0.00 -1.87 0.00 0.00 57.45 53.94 1ibj n PHE 406 Cb 0.03 0.82 0.00 0.00 -1.61 0.00 0.00 39.48 38.72 1ibj n PHE 406 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1ibj n GLY 407 N -0.55 0.48 3.96 4.97 0.00 -1.26 -4.42 105.19 108.38 1ibj n GLY 407 Ca -0.07 -0.75 -0.19 0.00 0.00 0.00 0.00 46.02 45.02 1ibj n GLY 407 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ibj s SER 408 N -2.68 5.65 0.36 1.61 1.04 -1.26 -3.79 113.70 114.64 1ibj s SER 408 Ca 0.00 -0.38 0.27 0.00 0.48 0.00 0.00 55.95 56.32 1ibj s SER 408 Cb 0.00 -0.92 1.13 0.00 0.10 0.00 0.00 66.02 66.33 1ibj s SER 408 CO 0.00 -0.56 1.81 -0.37 0.98 0.00 0.00 173.24 175.10 1ibj h VAL 409 N 0.88 0.00 -3.16 5.02 -1.51 -1.76 -3.41 116.25 112.30 1ibj h VAL 409 Ca -0.43 -0.32 -0.59 0.00 -1.23 0.00 0.00 66.70 64.12 1ibj h VAL 409 Cb 1.27 1.15 -0.07 0.00 -2.13 0.00 0.00 31.29 31.51 1ibj h VAL 409 CO 0.52 0.00 -0.18 -0.75 -1.23 0.00 0.00 177.57 175.93 1ibj s LYS 410 N -3.45 4.11 0.25 5.19 2.47 -1.26 -1.00 119.74 126.05 1ibj s LYS 410 Ca 0.03 0.42 -0.30 0.00 -1.56 0.00 0.00 55.97 54.56 1ibj s LYS 410 Cb 0.09 -3.31 -0.09 0.00 -1.46 0.00 0.00 37.83 33.06 1ibj s LYS 410 CO 0.44 0.47 1.09 -1.12 0.16 0.00 0.00 175.35 176.39 1ibj s SER 411 N -0.37 7.29 0.21 1.43 0.01 -1.26 -4.34 113.70 116.67 1ibj s SER 411 Ca 0.24 2.20 0.10 0.00 1.31 0.00 0.00 55.95 59.81 1ibj s SER 411 Cb -0.16 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.41 1ibj s SER 411 CO 0.12 -0.15 -0.15 -0.76 0.41 0.00 0.00 173.24 172.71 1ibj s LEU 412 N -1.10 2.77 -0.06 2.44 1.43 0.11 -1.55 118.68 122.72 1ibj s LEU 412 Ca 0.46 -0.74 -0.09 0.00 -1.03 0.00 0.00 54.13 52.73 1ibj s LEU 412 Cb -0.31 -1.43 0.02 0.00 0.03 0.00 0.00 46.19 44.50 1ibj s LEU 412 CO 0.39 0.09 0.22 -0.51 0.23 0.00 0.00 176.35 176.77 1ibj s ILE 413 N -1.88 0.02 0.27 -0.59 2.07 -0.12 -1.26 121.20 119.72 1ibj s ILE 413 Ca 0.25 -0.20 -0.20 0.00 -1.41 0.00 0.00 60.65 59.09 1ibj s ILE 413 Cb -0.08 -0.38 0.06 0.00 0.13 0.00 0.00 42.46 42.19 1ibj s ILE 413 CO 0.14 -0.11 0.91 -0.94 -1.91 0.00 0.00 174.94 173.03 1ibj s SER 414 N -0.36 -0.03 -0.37 4.50 1.04 -0.19 -3.27 113.70 115.02 1ibj s SER 414 Ca -0.05 -0.84 0.01 0.00 0.48 0.00 0.00 55.95 55.56 1ibj s SER 414 Cb -0.03 0.65 0.11 0.00 0.10 0.00 0.00 66.02 66.86 1ibj s SER 414 CO 0.01 -1.29 0.15 -0.04 0.98 0.00 0.00 173.24 173.05 1ibj s MET 415 N -2.43 1.09 0.55 4.02 -1.94 -1.26 -0.18 119.30 119.15 1ibj s MET 415 Ca 0.18 -1.60 0.36 0.00 -1.71 0.00 0.00 55.69 52.91 1ibj s MET 415 Cb -0.04 -2.36 1.69 0.00 2.01 0.00 0.00 34.83 36.14 1ibj s MET 415 CO 0.08 -1.05 2.07 -1.35 -0.01 0.00 0.00 175.02 174.76 1ibj h PRO 416 N 7.45 0.00 -0.06 2.03 0.11 -1.95 -0.80 132.00 138.77 1ibj h PRO 416 Ca -0.07 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.79 1ibj h PRO 416 Cb 0.98 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.10 1ibj h PRO 416 CO 0.49 0.00 -0.92 0.00 -0.21 0.00 0.00 178.00 177.36 1ibj n PHE 418 N -3.87 0.00 0.09 0.00 -0.00 -1.18 -4.60 117.46 107.88 1ibj n PHE 418 Ca -0.09 -0.45 0.00 0.00 -0.00 0.00 0.00 57.45 56.91 1ibj n PHE 418 Cb 0.82 -0.04 0.00 0.00 -0.00 0.00 0.00 39.48 40.25 1ibj n PHE 418 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1ibj n MET 419 N -0.45 0.00 0.00 3.97 0.00 -0.31 -4.36 117.12 115.97 1ibj n MET 419 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1ibj n MET 419 Cb 0.25 -0.25 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1ibj n MET 419 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1ibj n SER 420 N -3.40 0.27 -2.66 3.17 3.41 -1.17 -1.72 113.62 111.52 1ibj n SER 420 Ca 0.00 -0.53 -0.04 0.00 -0.26 0.00 0.00 58.87 58.03 1ibj n SER 420 Cb 0.00 -0.13 0.09 0.00 -0.26 0.00 0.00 64.21 63.91 1ibj n SER 420 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1ibj n HIS 421 N 0.37 -0.51 0.24 7.33 8.25 -1.25 -4.97 115.22 124.69 1ibj n HIS 421 Ca 0.00 -0.72 0.11 0.00 -0.26 0.00 0.00 57.72 56.85 1ibj n HIS 421 Cb 0.07 1.13 0.55 0.00 1.12 0.00 0.00 29.99 32.85 1ibj n HIS 421 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ibj h ALA 422 N 2.77 1.08 -0.18 -1.41 0.00 -1.53 -1.66 119.26 118.33 1ibj h ALA 422 Ca -0.27 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1ibj h ALA 422 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1ibj h ALA 422 CO -0.12 0.23 0.00 -1.13 0.00 0.00 0.00 179.25 178.23 1ibj n SER 423 N -3.43 1.29 -4.48 0.00 3.41 -1.26 -4.79 113.62 104.37 1ibj n SER 423 Ca -0.00 -2.06 -0.43 0.00 -0.26 0.00 0.00 58.87 56.12 1ibj n SER 423 Cb 0.37 -0.23 -0.06 0.00 -0.26 0.00 0.00 64.21 64.03 1ibj n SER 423 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1ibj s ILE 424 N -1.68 4.81 0.00 -1.33 2.07 -0.63 -5.00 121.20 119.45 1ibj s ILE 424 Ca 0.13 -0.21 0.00 0.00 -1.41 0.00 0.00 60.65 59.16 1ibj s ILE 424 Cb 0.07 -4.29 0.00 0.00 0.13 0.00 0.00 42.46 38.37 1ibj s ILE 424 CO 0.07 -0.77 0.00 -0.81 -1.91 0.00 0.00 174.94 171.53 1ibj n PRO 425 N 6.34 2.34 0.11 3.50 -0.04 -1.26 -4.65 135.00 141.33 1ibj n PRO 425 Ca -0.04 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.52 1ibj n PRO 425 Cb 0.46 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.93 1ibj n PRO 425 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ibj h ALA 426 N -2.00 0.58 0.00 0.55 0.00 -2.00 -3.29 119.26 113.10 1ibj h ALA 426 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1ibj h ALA 426 Cb 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ibj h ALA 426 CO 0.00 0.12 -1.63 -1.91 0.00 0.00 0.00 179.25 175.84 1ibj n GLU 427 N -2.76 0.45 0.23 0.00 0.00 -1.26 -3.91 120.64 113.38 1ibj n GLU 427 Ca -0.01 -0.12 0.12 0.00 0.00 0.00 0.00 57.16 57.15 1ibj n GLU 427 Cb 0.59 -1.32 0.36 0.00 0.00 0.00 0.00 31.44 31.06 1ibj n GLU 427 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1ibj h VAL 428 N 0.00 0.19 0.00 6.31 2.07 -1.89 -1.07 116.25 121.86 1ibj h VAL 428 Ca -0.01 -1.01 -0.23 0.00 0.82 0.00 0.00 66.70 66.27 1ibj h VAL 428 Cb 0.65 1.86 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 1ibj h VAL 428 CO 0.00 0.09 -2.04 -1.14 0.02 0.00 0.00 177.57 174.51 1ibj n ARG 429 N -3.16 0.66 0.13 1.57 0.63 -1.24 -4.10 116.66 111.15 1ibj n ARG 429 Ca 0.02 0.02 0.01 0.00 -0.92 0.00 0.00 57.85 56.97 1ibj n ARG 429 Cb 0.47 -1.60 0.06 0.00 0.45 0.00 0.00 32.46 31.83 1ibj n ARG 429 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1ibj h GLU 430 N 0.00 0.00 -0.00 -0.14 4.57 -1.66 -2.86 114.58 114.49 1ibj h GLU 430 Ca -0.32 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 1ibj h GLU 430 Cb 1.79 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.38 1ibj h GLU 430 CO 0.03 0.61 0.00 0.00 -1.18 0.00 0.00 179.01 178.47 1ibj n ALA 431 N -2.28 2.57 -3.53 2.92 0.00 -0.41 -4.43 120.51 115.35 1ibj n ALA 431 Ca 0.01 -0.08 -0.24 0.00 0.00 0.00 0.00 53.44 53.13 1ibj n ALA 431 Cb 0.74 -1.19 -0.14 0.00 0.00 0.00 0.00 19.45 18.86 1ibj n ALA 431 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1ibj s ARG 432 N -2.00 0.18 -0.93 0.00 3.00 -1.08 -5.06 118.95 113.06 1ibj s ARG 432 Ca 0.18 -0.21 -0.31 0.00 -1.00 0.00 0.00 55.73 54.39 1ibj s ARG 432 Cb 0.08 -1.26 -0.20 0.00 0.00 0.00 0.00 34.95 33.57 1ibj s ARG 432 CO 0.14 -0.86 2.66 0.41 0.00 0.00 0.00 175.30 177.64 1ibj n GLY 433 N 5.28 -0.41 0.00 8.12 0.00 -1.26 -4.73 105.19 112.19 1ibj n GLY 433 Ca -0.05 1.10 0.00 0.00 0.00 0.00 0.00 46.02 47.07 1ibj n GLY 433 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ibj n LEU 434 N 11.01 0.00 -3.67 0.99 7.94 -1.26 -4.90 117.00 127.11 1ibj n LEU 434 Ca 0.63 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 55.36 1ibj n LEU 434 Cb 0.08 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 43.88 1ibj n LEU 434 CO 0.91 0.00 -0.23 0.42 -1.11 0.00 0.00 177.39 177.39 1ibj s THR 435 N -2.00 -0.27 0.00 1.96 -4.23 -1.26 -4.76 115.64 105.07 1ibj s THR 435 Ca 0.00 0.34 0.00 0.00 -1.18 0.00 0.00 61.69 60.85 1ibj s THR 435 Cb 0.00 -0.31 0.00 0.00 1.34 0.00 0.00 72.50 73.53 1ibj s THR 435 CO 0.00 0.14 0.00 1.21 -0.54 0.00 0.00 174.62 175.43 1ibj n GLU 436 N 5.30 0.00 0.00 3.99 2.13 -1.26 0.13 120.64 130.93 1ibj n GLU 436 Ca -0.05 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.88 1ibj n GLU 436 Cb 0.50 0.00 0.08 0.00 0.27 0.00 0.00 31.44 32.29 1ibj n GLU 436 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1ibj n ASP 437 N -1.58 0.90 -4.69 4.31 5.75 -1.26 -4.31 116.55 115.67 1ibj n ASP 437 Ca 0.00 -0.74 -0.44 0.00 -0.01 0.00 0.00 54.79 53.60 1ibj n ASP 437 Cb 0.00 0.57 -0.04 0.00 -1.03 0.00 0.00 41.12 40.63 1ibj n ASP 437 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1ibj n LEU 438 N -1.28 3.51 -4.35 -2.12 0.00 0.35 -4.47 117.00 108.65 1ibj n LEU 438 Ca 0.06 1.08 -0.33 0.00 0.00 0.00 0.00 56.01 56.82 1ibj n LEU 438 Cb 0.35 -1.49 -0.15 0.00 0.00 0.00 0.00 43.42 42.12 1ibj n LEU 438 CO 0.37 -0.08 -0.47 -0.69 0.00 0.00 0.00 177.39 176.52 1ibj s VAL 439 N 0.99 2.83 -0.09 1.96 1.01 -0.24 -4.06 120.40 122.80 1ibj s VAL 439 Ca 0.77 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1ibj s VAL 439 Cb -0.60 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 1ibj s VAL 439 CO 0.36 0.54 -0.11 -0.60 0.00 0.00 0.00 175.10 175.29 1ibj s ARG 440 N 0.25 2.99 -0.02 2.72 3.52 0.75 -0.75 118.95 128.41 1ibj s ARG 440 Ca -0.11 -0.63 0.08 0.00 -0.13 0.00 0.00 55.73 54.94 1ibj s ARG 440 Cb -0.16 -2.58 -0.02 0.00 -1.56 0.00 0.00 34.95 30.63 1ibj s ARG 440 CO 0.06 0.46 -0.26 0.42 -0.81 0.00 0.00 175.30 175.17 1ibj s ILE 441 N -0.28 2.04 -0.33 4.11 1.01 -0.01 -1.02 121.20 126.71 1ibj s ILE 441 Ca 0.03 -1.10 0.02 0.00 0.00 0.00 0.00 60.65 59.60 1ibj s ILE 441 Cb -0.13 -1.69 0.09 0.00 0.01 0.00 0.00 42.46 40.75 1ibj s ILE 441 CO 0.03 0.58 0.04 -0.55 0.00 0.00 0.00 174.94 175.03 1ibj s SER 442 N -0.61 4.79 0.20 3.58 0.15 -0.39 -1.68 113.70 119.75 1ibj s SER 442 Ca 0.10 -1.95 -0.30 0.00 0.70 0.00 0.00 55.95 54.49 1ibj s SER 442 Cb -0.10 -1.65 -0.09 0.00 -1.71 0.00 0.00 66.02 62.47 1ibj s SER 442 CO -0.01 -0.36 1.27 0.00 1.20 0.00 0.00 173.24 175.34 1ibj s ALA 443 N 0.99 3.49 0.18 5.45 0.00 -0.10 -0.71 121.76 131.06 1ibj s ALA 443 Ca 0.06 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.08 1ibj s ALA 443 Cb -0.20 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1ibj s ALA 443 CO -0.06 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.62 1ibj n GLY 444 N 2.22 1.46 1.58 0.00 0.00 -1.26 -4.81 105.19 104.38 1ibj n GLY 444 Ca 0.05 -1.96 -0.04 0.00 0.00 0.00 0.00 46.02 44.08 1ibj n GLY 444 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ibj n ILE 445 N 0.00 2.73 -1.22 -0.61 -5.35 -0.17 -4.38 119.36 110.36 1ibj n ILE 445 Ca 0.00 -1.97 -0.25 0.00 -0.27 0.00 0.00 62.75 60.26 1ibj n ILE 445 Cb 0.00 -0.34 0.20 0.00 -1.74 0.00 0.00 39.64 37.76 1ibj n ILE 445 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1ibj n GLU 446 N -0.54 -2.24 -2.57 6.28 4.71 -1.26 -4.95 120.64 120.06 1ibj n GLU 446 Ca 0.36 -1.54 -0.43 0.00 -0.01 0.00 0.00 57.16 55.55 1ibj n GLU 446 Cb 1.22 -1.29 -0.02 0.00 -1.01 0.00 0.00 31.44 30.34 1ibj n GLU 446 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1ibj s ASP 447 N -4.31 6.96 0.56 1.62 -1.08 -1.26 -4.90 116.67 114.27 1ibj s ASP 447 Ca 0.60 1.31 0.32 0.00 -0.52 0.00 0.00 52.55 54.26 1ibj s ASP 447 Cb -0.04 -2.54 1.73 0.00 -1.46 0.00 0.00 42.92 40.61 1ibj s ASP 447 CO 0.45 -0.81 1.96 1.62 0.52 0.00 0.00 175.17 178.91 1ibj h VAL 448 N 5.62 0.00 0.00 1.11 3.04 -1.96 0.35 116.25 124.42 1ibj h VAL 448 Ca -0.22 0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 65.36 1ibj h VAL 448 Cb 1.07 0.71 -0.02 0.00 -2.01 0.00 0.00 31.29 31.05 1ibj h VAL 448 CO 1.00 0.00 -0.53 0.44 -1.01 0.00 0.00 177.57 177.47 1ibj h ASP 449 N 0.00 0.00 -0.21 3.17 3.32 -1.99 -0.22 116.42 120.49 1ibj h ASP 449 Ca 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 1ibj h ASP 449 Cb 0.30 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 1ibj h ASP 449 CO 0.00 0.53 -0.33 0.44 -1.72 0.00 0.00 179.24 178.16 1ibj h ASP 450 N 0.00 0.66 -0.15 6.45 3.32 -0.70 -1.70 116.42 124.30 1ibj h ASP 450 Ca -0.01 -0.52 -0.09 0.00 0.02 0.00 0.00 57.03 56.43 1ibj h ASP 450 Cb 1.35 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1ibj h ASP 450 CO 0.07 1.05 -0.28 -0.07 -1.72 0.00 0.00 179.24 178.30 1ibj h LEU 451 N 0.29 0.50 -0.41 1.55 3.38 -1.28 -1.45 115.31 117.89 1ibj h LEU 451 Ca 0.02 -0.55 -0.04 0.00 0.09 0.00 0.00 57.88 57.40 1ibj h LEU 451 Cb 0.91 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1ibj h LEU 451 CO 0.08 0.95 0.09 0.40 0.09 0.00 0.00 178.44 180.05 1ibj h ILE 452 N 0.07 1.23 -0.94 1.22 2.04 -1.12 -1.71 117.51 118.29 1ibj h ILE 452 Ca 0.01 -0.81 0.04 0.00 1.00 0.00 0.00 64.86 65.10 1ibj h ILE 452 Cb 0.86 0.97 -0.06 0.00 -0.74 0.00 0.00 36.82 37.86 1ibj h ILE 452 CO 0.06 0.28 0.61 -1.28 0.00 0.00 0.00 178.15 177.83 1ibj h SER 453 N 0.53 1.01 -0.50 1.72 0.87 -1.35 0.06 113.55 115.88 1ibj h SER 453 Ca 0.13 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 1ibj h SER 453 Cb 0.33 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 1ibj h SER 453 CO 0.00 0.68 0.25 -0.78 -0.53 0.00 0.00 176.83 176.46 1ibj h ASP 454 N 1.17 0.65 -0.29 6.23 3.58 -0.88 -1.52 116.42 125.36 1ibj h ASP 454 Ca 0.38 -0.12 -0.12 0.00 0.42 0.00 0.00 57.03 57.59 1ibj h ASP 454 Cb 0.04 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 1ibj h ASP 454 CO -0.13 0.58 -0.26 -0.07 -2.88 0.00 0.00 179.24 176.47 1ibj h LEU 455 N 0.67 0.81 0.16 2.28 3.38 -0.72 -2.55 115.31 119.32 1ibj h LEU 455 Ca 0.17 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1ibj h LEU 455 Cb 0.10 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1ibj h LEU 455 CO -0.02 1.03 -0.07 -0.78 0.09 0.00 0.00 178.44 178.68 1ibj h ASP 456 N 0.68 -0.18 -0.96 -0.43 3.58 -0.84 -2.05 116.42 116.21 1ibj h ASP 456 Ca 0.08 -0.25 0.20 0.00 0.42 0.00 0.00 57.03 57.48 1ibj h ASP 456 Cb 0.79 0.05 -0.09 0.00 1.72 0.00 0.00 39.33 41.80 1ibj h ASP 456 CO 0.07 0.17 0.61 0.40 -2.88 0.00 0.00 179.24 177.61 1ibj h ILE 457 N -0.54 0.70 -0.41 2.25 2.04 -1.30 -1.11 117.51 119.14 1ibj h ILE 457 Ca -0.02 -0.21 -0.06 0.00 1.00 0.00 0.00 64.86 65.57 1ibj h ILE 457 Cb 0.42 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 1ibj h ILE 457 CO 0.04 0.11 0.02 0.00 0.00 0.00 0.00 178.15 178.31 1ibj h ALA 458 N 1.62 1.26 -0.13 1.87 0.00 -0.99 -2.66 119.26 120.24 1ibj h ALA 458 Ca 0.53 -0.22 -0.23 0.00 0.00 0.00 0.00 54.91 54.99 1ibj h ALA 458 Cb 1.03 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.65 1ibj h ALA 458 CO -0.28 0.50 -0.81 0.74 0.00 0.00 0.00 179.25 179.40 1ibj h PHE 459 N 0.62 1.03 0.00 0.00 -1.00 -0.56 -3.20 116.94 113.84 1ibj h PHE 459 Ca 0.13 -0.47 0.00 0.00 2.81 0.00 0.00 57.97 60.44 1ibj h PHE 459 Cb 0.36 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 39.77 1ibj h PHE 459 CO 0.02 1.30 0.00 1.63 -1.61 0.00 0.00 178.31 179.64 1ibj n LYS 460 N -3.92 0.71 0.00 1.51 5.02 -0.73 -2.99 118.16 117.77 1ibj n LYS 460 Ca -0.08 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.23 1ibj n LYS 460 Cb 0.76 -1.29 -0.01 0.00 -0.02 0.00 0.00 35.03 34.47 1ibj n LYS 460 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1ibj n THR 461 N -0.79 0.00 -2.29 -0.18 -2.24 -1.04 -4.97 114.28 102.77 1ibj n THR 461 Ca 0.10 -0.43 -0.43 0.00 -2.27 0.00 0.00 64.05 61.02 1ibj n THR 461 Cb 0.05 1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.27 1ibj n THR 461 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1ibj s PHE 462 N -1.14 2.43 0.84 4.78 5.36 -1.16 -5.01 117.98 124.08 1ibj s PHE 462 Ca 0.02 0.73 -0.12 0.00 -0.96 0.00 0.00 56.93 56.60 1ibj s PHE 462 Cb 0.03 -3.96 0.10 0.00 -0.34 0.00 0.00 43.02 38.84 1ibj s PHE 462 CO 0.13 -2.22 1.13 -2.14 -1.46 0.00 0.00 175.22 170.66 1ibj s PRO 463 N 4.43 1.74 0.00 10.12 0.02 -1.26 -5.09 135.00 144.96 1ibj s PRO 463 Ca 0.63 0.38 0.00 0.00 0.02 0.00 0.00 61.00 62.03 1ibj s PRO 463 Cb -0.20 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.42 1ibj s PRO 463 CO 0.26 -1.80 0.31 1.28 -0.33 0.00 0.00 177.00 176.72