#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bcj h ILE 74 N 0.00 0.15 -0.26 0.00 1.08 -2.05 0.95 117.51 117.38 1bcj h ILE 74 Ca 0.00 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.40 1bcj h ILE 74 Cb 0.00 0.15 -0.02 0.00 -3.07 0.00 0.00 36.82 33.89 1bcj h ILE 74 CO 0.00 0.00 -0.13 -0.33 -0.69 0.00 0.00 178.15 177.00 1bcj h GLU 75 N -0.37 0.44 -0.24 2.37 5.08 -2.05 0.75 114.58 120.56 1bcj h GLU 75 Ca 0.12 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1bcj h GLU 75 Cb 0.59 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1bcj h GLU 75 CO -0.50 0.57 -0.14 0.28 -1.00 0.00 0.00 179.01 178.22 1bcj h VAL 76 N 0.41 1.31 -0.67 3.13 2.07 -1.73 -1.75 116.25 119.02 1bcj h VAL 76 Ca 0.08 -1.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 1bcj h VAL 76 Cb 0.47 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 1bcj h VAL 76 CO 0.03 0.38 0.35 0.11 0.02 0.00 0.00 177.57 178.46 1bcj h LYS 77 N 0.23 0.93 -0.38 1.57 1.57 0.14 -1.51 116.57 119.12 1bcj h LYS 77 Ca 0.05 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 1bcj h LYS 77 Cb 0.66 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1bcj h LYS 77 CO 0.04 0.70 -0.17 1.25 -0.57 0.00 0.00 179.45 180.70 1bcj h LEU 78 N 0.94 0.81 -0.79 2.94 5.85 -0.77 -2.14 115.31 122.14 1bcj h LEU 78 Ca 0.24 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 1bcj h LEU 78 Cb 0.06 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 1bcj h LEU 78 CO -0.04 1.03 0.43 0.00 -0.34 0.00 0.00 178.44 179.52 1bcj h ALA 79 N 0.80 1.01 -0.60 1.25 0.00 -0.94 -2.10 119.26 118.68 1bcj h ALA 79 Ca 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1bcj h ALA 79 Cb 0.72 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1bcj h ALA 79 CO 0.05 0.53 0.36 -0.97 0.00 0.00 0.00 179.25 179.22 1bcj h ASN 80 N 1.10 0.73 0.18 0.00 -1.24 -1.13 -2.27 115.58 112.94 1bcj h ASN 80 Ca 0.28 -0.07 -0.03 0.00 0.71 0.00 0.00 56.30 57.19 1bcj h ASN 80 Cb 0.05 -0.19 -0.00 0.00 0.73 0.00 0.00 38.32 38.91 1bcj h ASN 80 CO -0.04 0.59 -0.14 0.24 -1.29 0.00 0.00 177.43 176.78 1bcj h MET 81 N 0.82 0.00 -0.56 6.67 2.86 -0.88 0.16 114.93 124.00 1bcj h MET 81 Ca 0.22 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.78 1bcj h MET 81 Cb -0.01 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 1bcj h MET 81 CO -0.04 0.14 0.06 0.93 1.06 0.00 0.00 176.91 179.06 1bcj h GLU 82 N 0.00 0.95 -0.61 1.72 5.08 -0.83 -0.09 114.58 120.79 1bcj h GLU 82 Ca -0.00 -0.27 -0.09 0.00 -1.00 0.00 0.00 59.36 58.00 1bcj h GLU 82 Cb 0.27 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1bcj h GLU 82 CO 0.02 0.93 0.03 0.00 -1.00 0.00 0.00 179.01 178.99 1bcj h ALA 83 N 0.98 0.89 -0.51 3.43 0.00 -0.77 -0.53 119.26 122.76 1bcj h ALA 83 Ca 0.16 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1bcj h ALA 83 Cb 0.46 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1bcj h ALA 83 CO 0.02 0.66 0.09 0.93 0.00 0.00 0.00 179.25 180.95 1bcj h GLU 84 N 0.97 0.84 -0.08 0.00 4.39 -0.38 -0.85 114.58 119.47 1bcj h GLU 84 Ca 0.18 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1bcj h GLU 84 Cb 0.51 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1bcj h GLU 84 CO 0.02 0.83 0.01 0.82 -1.16 0.00 0.00 179.01 179.53 1bcj h ILE 85 N 0.73 1.23 -0.70 3.13 2.04 -0.86 -1.36 117.51 121.71 1bcj h ILE 85 Ca 0.16 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 1bcj h ILE 85 Cb 0.39 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 1bcj h ILE 85 CO 0.01 0.20 0.42 0.78 0.00 0.00 0.00 178.15 179.56 1bcj h ASN 86 N -0.13 0.84 -0.63 1.72 2.35 -1.02 -0.34 115.58 118.37 1bcj h ASN 86 Ca 0.02 -0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 1bcj h ASN 86 Cb 0.31 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1bcj h ASN 86 CO 0.00 0.65 0.08 0.74 -1.65 0.00 0.00 177.43 177.26 1bcj h THR 87 N 0.97 1.26 -0.32 2.81 2.02 -1.02 -2.43 112.91 116.20 1bcj h THR 87 Ca 0.25 -1.05 -0.10 0.00 0.77 0.00 0.00 66.41 66.28 1bcj h THR 87 Cb -0.03 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1bcj h THR 87 CO -0.05 0.39 -0.24 -0.07 0.37 0.00 0.00 175.52 175.93 1bcj h LEU 88 N 0.98 0.63 -0.70 2.58 3.38 -0.52 -1.28 115.31 120.38 1bcj h LEU 88 Ca 0.19 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1bcj h LEU 88 Cb 0.46 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1bcj h LEU 88 CO 0.02 0.86 0.36 0.11 0.09 0.00 0.00 178.44 179.87 1bcj h LYS 89 N 0.55 0.99 -0.45 1.13 1.57 -0.84 -0.94 116.57 118.58 1bcj h LYS 89 Ca 0.08 -0.13 -0.14 0.00 -1.87 0.00 0.00 60.65 58.58 1bcj h LYS 89 Cb 0.70 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1bcj h LYS 89 CO 0.05 0.76 -0.28 0.77 -0.57 0.00 0.00 179.45 180.18 1bcj h SER 90 N 0.96 1.02 -0.52 0.86 0.02 -1.21 -1.90 113.55 112.78 1bcj h SER 90 Ca 0.24 -0.42 -0.09 0.00 -0.84 0.00 0.00 61.79 60.68 1bcj h SER 90 Cb 0.08 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 1bcj h SER 90 CO -0.03 1.22 -0.02 0.11 -1.14 0.00 0.00 176.83 176.97 1bcj h LYS 91 N 0.83 0.97 -0.19 3.45 1.57 -0.96 -1.28 116.57 120.96 1bcj h LYS 91 Ca 0.09 -0.30 -0.11 0.00 -1.87 0.00 0.00 60.65 58.47 1bcj h LYS 91 Cb 0.87 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 1bcj h LYS 91 CO 0.08 0.96 -0.35 1.25 -0.57 0.00 0.00 179.45 180.83 1bcj h LEU 92 N 0.89 0.41 -0.66 2.94 5.85 -1.11 -0.36 115.31 123.26 1bcj h LEU 92 Ca 0.16 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 1bcj h LEU 92 Cb 0.54 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1bcj h LEU 92 CO 0.03 0.73 0.07 -0.33 -0.34 0.00 0.00 178.44 178.60 1bcj h GLU 93 N 0.34 1.11 -0.52 1.25 5.08 -1.03 -0.62 114.58 120.18 1bcj h GLU 93 Ca 0.04 -0.32 -0.06 0.00 -1.00 0.00 0.00 59.36 58.02 1bcj h GLU 93 Cb 0.77 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1bcj h GLU 93 CO 0.06 1.04 0.08 1.25 -1.00 0.00 0.00 179.01 180.44 1bcj h LEU 94 N 1.03 0.83 -0.58 1.33 5.85 -0.83 -0.60 115.31 122.34 1bcj h LEU 94 Ca 0.19 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 1bcj h LEU 94 Cb 0.49 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1bcj h LEU 94 CO 0.02 0.88 0.35 0.74 -0.34 0.00 0.00 178.44 180.09 1bcj h THR 95 N 0.74 1.17 -0.55 1.05 2.02 -0.80 -1.10 112.91 115.44 1bcj h THR 95 Ca 0.16 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 1bcj h THR 95 Cb 0.41 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 1bcj h THR 95 CO 0.01 0.18 0.29 0.78 0.37 0.00 0.00 175.52 177.15 1bcj h ASN 96 N 0.78 0.70 -0.36 4.18 -0.26 -0.81 -1.45 115.58 118.36 1bcj h ASN 96 Ca 0.21 -0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 1bcj h ASN 96 Cb -0.01 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.05 1bcj h ASN 96 CO -0.04 0.60 0.23 0.11 -1.06 0.00 0.00 177.43 177.28 1bcj h LYS 97 N 0.74 0.48 -0.72 0.81 1.57 -0.70 -1.40 116.57 117.36 1bcj h LYS 97 Ca 0.19 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1bcj h LYS 97 Cb 0.07 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 1bcj h LYS 97 CO -0.03 0.34 0.24 1.25 -0.57 0.00 0.00 179.45 180.67 1bcj h LEU 98 N 0.48 1.02 -0.61 2.94 5.85 -1.08 -1.50 115.31 122.42 1bcj h LEU 98 Ca 0.13 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 1bcj h LEU 98 Cb -0.03 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 1bcj h LEU 98 CO -0.03 0.94 0.12 -0.74 -0.34 0.00 0.00 178.44 178.39 1bcj h HIS 99 N 1.06 1.06 -0.46 1.25 2.76 -0.93 0.12 115.15 120.02 1bcj h HIS 99 Ca 0.23 -0.14 -0.03 0.00 -2.20 0.00 0.00 60.37 58.24 1bcj h HIS 99 Cb 0.28 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 28.92 1bcj h HIS 99 CO 0.02 0.91 0.18 0.00 -1.30 0.00 0.00 177.93 177.73 1bcj h ALA 100 N 1.03 0.59 -0.44 5.26 0.00 -1.08 -0.24 119.26 124.39 1bcj h ALA 100 Ca 0.19 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1bcj h ALA 100 Cb 0.40 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1bcj h ALA 100 CO 0.01 0.21 0.18 0.35 0.00 0.00 0.00 179.25 180.00 1bcj h PHE 101 N 0.60 0.32 0.00 0.00 3.57 -0.93 -0.80 116.94 119.69 1bcj h PHE 101 Ca 0.15 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 1bcj h PHE 101 Cb 0.21 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1bcj h PHE 101 CO 0.00 0.13 -0.17 0.66 -2.23 0.00 0.00 178.31 176.71 1bcj h SER 102 N 0.36 0.00 -0.15 0.41 4.64 -0.37 -2.20 113.55 116.25 1bcj h SER 102 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1bcj h SER 102 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1bcj h SER 102 CO -0.19 0.17 0.00 0.23 -0.87 0.00 0.00 176.83 176.17 1bcj n MET 103 N -3.40 1.41 -0.32 4.77 2.81 -0.13 -4.89 117.12 117.36 1bcj n MET 103 Ca -0.00 -0.62 0.00 0.00 -1.81 0.00 0.00 57.70 55.26 1bcj n MET 103 Cb 0.36 -1.22 0.00 0.00 -0.71 0.00 0.00 33.22 31.65 1bcj n MET 103 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1bcj n GLY 104 N 0.86 0.76 3.69 3.03 0.00 -0.82 -4.92 105.19 107.78 1bcj n GLY 104 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1bcj n GLY 104 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bcj s LYS 105 N -0.68 4.16 0.25 1.61 2.20 -0.66 -4.99 119.74 121.63 1bcj s LYS 105 Ca 0.00 2.51 -0.10 0.00 -0.36 0.00 0.00 55.97 58.02 1bcj s LYS 105 Cb 0.00 -3.66 -0.07 0.00 -1.51 0.00 0.00 37.83 32.59 1bcj s LYS 105 CO 0.00 -0.82 0.58 0.15 -0.36 0.00 0.00 175.35 174.90 1bcj s LYS 106 N 2.90 3.82 0.16 4.03 -0.14 -1.26 -4.67 119.74 124.59 1bcj s LYS 106 Ca 0.79 0.32 -0.34 0.00 -1.36 0.00 0.00 55.97 55.39 1bcj s LYS 106 Cb -0.43 -2.60 -0.15 0.00 -1.68 0.00 0.00 37.83 32.96 1bcj s LYS 106 CO 0.35 0.27 1.35 0.43 -0.76 0.00 0.00 175.35 177.00 1bcj n SER 107 N -0.27 2.12 0.00 2.83 7.64 -1.26 -1.48 113.62 123.19 1bcj n SER 107 Ca 0.01 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.01 1bcj n SER 107 Cb 0.53 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 1bcj n SER 107 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bcj n GLY 108 N 2.47 0.00 3.52 0.23 0.00 -1.26 -4.95 105.19 105.19 1bcj n GLY 108 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 1bcj n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bcj s LYS 109 N -1.76 1.86 0.75 1.61 1.02 -0.55 -4.78 119.74 117.89 1bcj s LYS 109 Ca 0.00 -1.36 -0.11 0.00 0.02 0.00 0.00 55.97 54.52 1bcj s LYS 109 Cb 0.00 -2.04 0.04 0.00 -0.52 0.00 0.00 37.83 35.31 1bcj s LYS 109 CO 0.00 0.42 1.08 -1.59 -0.92 0.00 0.00 175.35 174.34 1bcj s LYS 110 N -2.76 2.49 0.07 1.68 -2.85 -1.26 -4.25 119.74 112.87 1bcj s LYS 110 Ca 0.23 1.02 0.01 0.00 -1.00 0.00 0.00 55.97 56.23 1bcj s LYS 110 Cb -0.08 -1.93 -0.04 0.00 -2.06 0.00 0.00 37.83 33.71 1bcj s LYS 110 CO 0.13 -1.43 -0.06 -0.59 0.10 0.00 0.00 175.35 173.50 1bcj s PHE 111 N -2.99 0.73 0.01 1.78 -0.71 -0.91 -4.72 117.98 111.17 1bcj s PHE 111 Ca 0.60 -0.81 0.06 0.00 -1.04 0.00 0.00 56.93 55.73 1bcj s PHE 111 Cb -0.16 -0.44 -0.03 0.00 -1.21 0.00 0.00 43.02 41.18 1bcj s PHE 111 CO 0.55 -0.17 -0.16 -0.06 -1.34 0.00 0.00 175.22 174.04 1bcj s PHE 112 N -2.97 2.62 0.01 3.49 0.08 -1.26 -1.77 117.98 118.17 1bcj s PHE 112 Ca 0.04 -0.22 0.01 0.00 0.12 0.00 0.00 56.93 56.87 1bcj s PHE 112 Cb 0.01 -1.53 -0.01 0.00 -0.57 0.00 0.00 43.02 40.92 1bcj s PHE 112 CO -0.04 0.23 -0.03 0.08 -0.10 0.00 0.00 175.22 175.36 1bcj s VAL 113 N -0.86 0.19 0.04 -0.44 1.01 -0.64 -4.99 120.40 114.71 1bcj s VAL 113 Ca 0.14 -0.43 -0.04 0.00 0.00 0.00 0.00 61.98 61.65 1bcj s VAL 113 Cb -0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 36.38 36.03 1bcj s VAL 113 CO 0.04 -0.16 0.05 0.28 0.00 0.00 0.00 175.10 175.31 1bcj s THR 114 N -0.60 0.15 -1.23 3.92 -1.32 -1.26 -0.83 115.64 114.46 1bcj s THR 114 Ca -0.05 -1.22 0.13 0.00 -1.21 0.00 0.00 61.69 59.34 1bcj s THR 114 Cb -0.04 -0.93 0.32 0.00 -1.51 0.00 0.00 72.50 70.33 1bcj s THR 114 CO -0.00 -0.67 1.23 -0.46 -2.21 0.00 0.00 174.62 172.51 1bcj n ASN 115 N 0.75 2.91 -3.19 8.08 6.94 -1.26 -4.97 115.26 124.53 1bcj n ASN 115 Ca -0.19 -1.91 -0.23 0.00 -0.02 0.00 0.00 54.58 52.23 1bcj n ASN 115 Cb 0.58 -0.22 0.05 0.00 -2.36 0.00 0.00 39.78 37.83 1bcj n ASN 115 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1bcj n HIS 116 N 0.73 -2.27 -4.23 -2.53 8.25 -1.26 -5.01 115.22 108.90 1bcj n HIS 116 Ca 0.13 0.69 -0.35 0.00 -0.26 0.00 0.00 57.72 57.92 1bcj n HIS 116 Cb 0.44 -4.68 -0.09 0.00 1.12 0.00 0.00 29.99 26.77 1bcj n HIS 116 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1bcj s GLU 117 N -5.90 3.27 -0.08 -0.41 2.12 -1.26 -4.95 118.70 111.49 1bcj s GLU 117 Ca 0.40 -0.36 -0.14 0.00 0.36 0.00 0.00 54.97 55.24 1bcj s GLU 117 Cb -0.18 -2.94 -0.05 0.00 0.26 0.00 0.00 34.13 31.23 1bcj s GLU 117 CO 0.49 0.62 0.34 1.03 -0.54 0.00 0.00 175.26 177.19 1bcj s ARG 118 N -0.62 3.98 0.11 4.30 0.52 -1.26 -0.99 118.95 124.99 1bcj s ARG 118 Ca 0.11 0.23 -0.25 0.00 -0.52 0.00 0.00 55.73 55.30 1bcj s ARG 118 Cb -0.12 -3.30 0.08 0.00 0.52 0.00 0.00 34.95 32.13 1bcj s ARG 118 CO 0.02 0.52 0.75 0.00 0.02 0.00 0.00 175.30 176.62 1bcj s MET 119 N -0.45 1.16 0.67 3.54 0.23 -0.08 -4.71 119.30 119.66 1bcj s MET 119 Ca 0.20 -0.48 -0.17 0.00 -1.03 0.00 0.00 55.69 54.21 1bcj s MET 119 Cb -0.15 0.50 0.01 0.00 -1.53 0.00 0.00 34.83 33.66 1bcj s MET 119 CO 0.09 -0.51 1.21 -2.14 -2.03 0.00 0.00 175.02 171.64 1bcj s PRO 120 N -3.49 2.50 0.27 3.16 0.02 -1.25 -1.70 135.00 134.52 1bcj s PRO 120 Ca 0.05 1.80 0.00 0.00 0.02 0.00 0.00 61.00 62.87 1bcj s PRO 120 Cb -0.02 -1.87 0.58 0.00 0.02 0.00 0.00 34.50 33.21 1bcj s PRO 120 CO -0.08 -1.56 1.76 0.35 -0.33 0.00 0.00 177.00 177.14 1bcj h PHE 121 N 0.21 0.82 0.00 6.54 3.57 -1.54 0.09 116.94 126.63 1bcj h PHE 121 Ca -0.49 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.03 1bcj h PHE 121 Cb 1.30 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.80 1bcj h PHE 121 CO 0.47 0.19 -0.10 0.66 -2.23 0.00 0.00 178.31 177.30 1bcj h SER 122 N 0.65 0.00 -0.25 0.41 4.64 -1.92 0.12 113.55 117.19 1bcj h SER 122 Ca 0.49 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.66 1bcj h SER 122 Cb 0.71 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1bcj h SER 122 CO -0.37 0.10 -0.43 0.11 -0.87 0.00 0.00 176.83 175.36 1bcj h LYS 123 N 0.00 0.74 -0.16 4.77 1.79 -1.34 -2.16 116.57 120.20 1bcj h LYS 123 Ca -0.00 -0.46 -0.00 0.00 -2.18 0.00 0.00 60.65 58.01 1bcj h LYS 123 Cb 0.18 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 1bcj h LYS 123 CO 0.01 1.08 0.09 0.28 -1.08 0.00 0.00 179.45 179.83 1bcj h VAL 124 N 0.47 1.09 -0.31 0.50 2.07 -0.73 -0.87 116.25 118.46 1bcj h VAL 124 Ca 0.02 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1bcj h VAL 124 Cb 1.03 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1bcj h VAL 124 CO 0.10 0.08 0.20 0.11 0.02 0.00 0.00 177.57 178.08 1bcj h LYS 125 N 0.17 0.40 -0.69 1.57 1.57 -1.01 -0.75 116.57 117.83 1bcj h LYS 125 Ca 0.06 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 1bcj h LYS 125 Cb 0.06 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1bcj h LYS 125 CO -0.01 0.26 0.23 0.00 -0.57 0.00 0.00 179.45 179.37 1bcj h ALA 126 N 1.12 1.11 -0.07 3.86 0.00 -1.27 -1.65 119.26 122.35 1bcj h ALA 126 Ca 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1bcj h ALA 126 Cb -0.04 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1bcj h ALA 126 CO -0.03 0.62 -0.01 1.25 0.00 0.00 0.00 179.25 181.08 1bcj h LEU 127 N 1.01 0.14 -1.41 0.00 5.85 -0.86 -1.10 115.31 118.93 1bcj h LEU 127 Ca 0.23 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 1bcj h LEU 127 Cb 0.26 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1bcj h LEU 127 CO -0.01 0.45 0.03 0.00 -0.34 0.00 0.00 178.44 178.57 1bcj h SER 129 N 0.41 0.91 0.09 0.00 0.87 -1.13 0.25 113.55 114.94 1bcj h SER 129 Ca 0.09 -0.31 -0.01 0.00 -1.23 0.00 0.00 61.79 60.33 1bcj h SER 129 Cb 0.23 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1bcj h SER 129 CO 0.00 1.00 -0.07 -0.08 -0.53 0.00 0.00 176.83 177.16 1bcj h GLU 130 N 0.79 0.00 -0.12 2.24 4.81 -0.49 0.43 114.58 122.24 1bcj h GLU 130 Ca 0.15 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1bcj h GLU 130 Cb 0.54 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1bcj h GLU 130 CO 0.03 0.07 0.00 1.28 -0.73 0.00 0.00 179.01 179.66 1bcj n LEU 131 N -4.30 1.77 -1.43 1.64 4.77 -0.84 -4.91 117.00 113.69 1bcj n LEU 131 Ca -0.03 -0.68 -0.13 0.00 -0.03 0.00 0.00 56.01 55.14 1bcj n LEU 131 Cb 0.15 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1bcj n LEU 131 CO 0.34 0.34 -0.16 0.54 -1.33 0.00 0.00 177.39 177.11 1bcj n ARG 132 N 0.38 -1.02 -0.99 3.23 3.00 0.14 -5.00 116.66 116.40 1bcj n ARG 132 Ca 0.17 0.64 0.00 0.00 -0.01 0.00 0.00 57.85 58.66 1bcj n ARG 132 Cb 0.37 -4.85 0.00 0.00 0.00 0.00 0.00 32.46 27.98 1bcj n ARG 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bcj n GLY 133 N -1.04 5.82 3.23 -0.13 0.00 0.83 -4.98 105.19 108.92 1bcj n GLY 133 Ca -0.15 -2.03 -0.13 0.00 0.00 0.00 0.00 46.02 43.71 1bcj n GLY 133 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bcj s THR 134 N -0.23 0.28 0.20 2.61 -4.23 -0.76 -3.76 115.64 109.75 1bcj s THR 134 Ca 0.00 -1.98 -0.30 0.00 -1.18 0.00 0.00 61.69 58.23 1bcj s THR 134 Cb 0.00 -2.42 -0.09 0.00 1.34 0.00 0.00 72.50 71.33 1bcj s THR 134 CO 0.00 -0.14 1.36 -0.69 -0.54 0.00 0.00 174.62 174.60 1bcj s VAL 135 N -3.95 3.07 -0.00 2.29 1.01 -1.26 0.49 120.40 122.05 1bcj s VAL 135 Ca 0.34 0.87 -0.38 0.00 0.00 0.00 0.00 61.98 62.81 1bcj s VAL 135 Cb 0.07 -3.55 -0.17 0.00 0.00 0.00 0.00 36.38 32.73 1bcj s VAL 135 CO 0.10 0.12 1.37 0.00 0.00 0.00 0.00 175.10 176.69 1bcj n ALA 136 N 2.73 -1.29 -3.86 5.51 0.00 -0.06 -4.00 120.51 119.55 1bcj n ALA 136 Ca 0.07 0.51 -0.26 0.00 0.00 0.00 0.00 53.44 53.76 1bcj n ALA 136 Cb 0.42 -2.04 -0.17 0.00 0.00 0.00 0.00 19.45 17.66 1bcj n ALA 136 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1bcj s ILE 137 N 0.97 0.87 -0.14 0.00 1.01 -1.26 -0.35 121.20 122.30 1bcj s ILE 137 Ca 0.88 -0.28 -0.29 0.00 0.00 0.00 0.00 60.65 60.96 1bcj s ILE 137 Cb -1.04 -0.98 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 1bcj s ILE 137 CO 0.52 0.27 1.04 -2.84 0.00 0.00 0.00 174.94 173.94 1bcj s PRO 138 N 1.76 4.36 0.00 2.79 0.02 -1.26 -4.90 135.00 137.77 1bcj s PRO 138 Ca 0.04 1.41 0.20 0.00 0.02 0.00 0.00 61.00 62.67 1bcj s PRO 138 Cb -0.13 -3.58 -0.15 0.00 0.02 0.00 0.00 34.50 30.66 1bcj s PRO 138 CO -0.07 -0.43 0.88 0.54 -0.33 0.00 0.00 177.00 177.58 1bcj n ARG 139 N 5.47 0.83 -3.79 5.54 5.12 -1.26 -4.86 116.66 123.72 1bcj n ARG 139 Ca 0.10 -0.28 -0.04 0.00 -1.93 0.00 0.00 57.85 55.70 1bcj n ARG 139 Cb 0.48 -1.41 -0.00 0.00 -1.16 0.00 0.00 32.46 30.36 1bcj n ARG 139 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1bcj s ASN 140 N -2.67 -0.13 0.45 0.55 2.20 -1.26 -4.66 114.94 109.42 1bcj s ASN 140 Ca 0.10 -0.51 0.11 0.00 -0.94 0.00 0.00 52.86 51.62 1bcj s ASN 140 Cb 0.15 0.51 1.02 0.00 -2.00 0.00 0.00 41.25 40.93 1bcj s ASN 140 CO 0.71 -0.97 2.09 0.00 -2.94 0.00 0.00 177.10 175.99 1bcj h ALA 141 N 2.00 1.84 0.54 3.54 0.00 -1.97 0.60 119.26 125.80 1bcj h ALA 141 Ca -0.25 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1bcj h ALA 141 Cb 1.23 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.92 1bcj h ALA 141 CO 0.28 0.14 -0.26 1.49 0.00 0.00 0.00 179.25 180.90 1bcj h GLU 142 N 0.35 -0.70 -0.34 0.00 4.22 -2.00 -1.56 114.58 114.55 1bcj h GLU 142 Ca 0.11 0.05 -0.09 0.00 0.08 0.00 0.00 59.36 59.51 1bcj h GLU 142 Cb 0.01 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1bcj h GLU 142 CO -0.02 -0.46 -0.16 0.93 -2.18 0.00 0.00 179.01 177.12 1bcj h GLU 143 N -0.75 0.61 -0.89 1.92 5.08 -1.87 -2.46 114.58 116.22 1bcj h GLU 143 Ca -0.07 -0.20 0.05 0.00 -1.00 0.00 0.00 59.36 58.13 1bcj h GLU 143 Cb 0.57 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.71 1bcj h GLU 143 CO 0.12 0.74 0.57 -0.97 -1.00 0.00 0.00 179.01 178.47 1bcj h ASN 144 N 0.55 0.91 -0.41 1.42 -1.24 -0.65 -0.54 115.58 115.62 1bcj h ASN 144 Ca 0.09 0.01 -0.13 0.00 0.71 0.00 0.00 56.30 56.98 1bcj h ASN 144 Cb 0.59 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.44 1bcj h ASN 144 CO 0.04 0.60 -0.24 0.50 -1.29 0.00 0.00 177.43 177.04 1bcj h LYS 145 N 1.06 0.89 -0.34 6.67 1.63 -1.04 -2.23 116.57 123.21 1bcj h LYS 145 Ca 0.38 -0.41 0.05 0.00 -0.85 0.00 0.00 60.65 59.82 1bcj h LYS 145 Cb 0.11 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 31.68 1bcj h LYS 145 CO -0.15 1.06 0.07 0.00 -3.45 0.00 0.00 179.45 176.97 1bcj h ALA 146 N 0.81 0.36 -0.47 5.00 0.00 -0.78 0.15 119.26 124.33 1bcj h ALA 146 Ca 0.09 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1bcj h ALA 146 Cb 0.81 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1bcj h ALA 146 CO 0.07 -0.34 0.30 0.82 0.00 0.00 0.00 179.25 180.10 1bcj h ILE 147 N 0.18 1.13 -0.79 0.00 2.04 -1.13 -1.45 117.51 117.50 1bcj h ILE 147 Ca 0.16 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.78 1bcj h ILE 147 Cb 0.18 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 1bcj h ILE 147 CO -0.21 0.13 0.52 -0.61 0.00 0.00 0.00 178.15 177.98 1bcj h GLN 148 N 0.63 0.96 -0.05 2.37 4.15 -0.68 -0.24 115.11 122.25 1bcj h GLN 148 Ca 0.17 -0.06 -0.22 0.00 0.77 0.00 0.00 58.65 59.32 1bcj h GLN 148 Cb -0.04 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.43 1bcj h GLN 148 CO -0.03 0.64 -0.86 0.93 -1.93 0.00 0.00 178.83 177.57 1bcj h GLU 149 N 0.99 0.51 -0.15 1.69 5.08 -0.25 -2.32 114.58 120.12 1bcj h GLU 149 Ca 0.31 -0.48 -0.15 0.00 -1.00 0.00 0.00 59.36 58.03 1bcj h GLU 149 Cb 0.01 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1bcj h GLU 149 CO -0.09 1.12 -0.51 0.28 -1.00 0.00 0.00 179.01 178.81 1bcj h VAL 150 N 0.32 1.34 -0.36 3.13 2.07 -0.87 -3.31 116.25 118.57 1bcj h VAL 150 Ca -0.07 -1.77 -0.13 0.00 0.82 0.00 0.00 66.70 65.55 1bcj h VAL 150 Cb 1.47 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 33.26 1bcj h VAL 150 CO 0.16 0.54 -0.30 0.00 0.02 0.00 0.00 177.57 177.99 1bcj h ALA 151 N 0.54 0.52 0.00 1.67 0.00 -1.13 -3.46 119.26 117.40 1bcj h ALA 151 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1bcj h ALA 151 Cb 1.13 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1bcj h ALA 151 CO 0.11 0.56 0.00 1.63 0.00 0.00 0.00 179.25 181.54 1bcj n LYS 152 N -4.17 0.00 -4.30 0.00 5.02 -0.87 -4.82 118.16 109.02 1bcj n LYS 152 Ca -0.03 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.03 1bcj n LYS 152 Cb 0.49 -3.46 -0.07 0.00 -0.02 0.00 0.00 35.03 31.97 1bcj n LYS 152 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1bcj n THR 153 N -1.65 0.00 -2.13 -0.18 -2.24 -1.26 -5.09 114.28 101.73 1bcj n THR 153 Ca 0.00 -2.34 -0.42 0.00 -2.27 0.00 0.00 64.05 59.02 1bcj n THR 153 Cb 0.00 0.93 -0.03 0.00 -2.10 0.00 0.00 70.33 69.13 1bcj n THR 153 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1bcj s VAL 154 N -3.12 3.54 0.09 2.28 1.01 -1.26 -4.94 120.40 117.99 1bcj s VAL 154 Ca 0.25 0.91 0.05 0.00 0.00 0.00 0.00 61.98 63.19 1bcj s VAL 154 Cb 0.01 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 1bcj s VAL 154 CO 0.18 -0.01 -0.14 0.00 0.00 0.00 0.00 175.10 175.13 1bcj s ALA 155 N 2.66 1.25 0.60 5.51 0.00 -1.17 -1.97 121.76 128.64 1bcj s ALA 155 Ca 0.67 -1.11 -0.16 0.00 0.00 0.00 0.00 51.96 51.37 1bcj s ALA 155 Cb -0.33 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 1bcj s ALA 155 CO 0.28 0.12 1.06 -0.06 0.00 0.00 0.00 175.76 177.16 1bcj s PHE 156 N -1.68 2.96 0.20 0.00 0.08 -1.08 -0.46 117.98 118.00 1bcj s PHE 156 Ca 0.02 1.52 0.11 0.00 0.12 0.00 0.00 56.93 58.70 1bcj s PHE 156 Cb -0.08 -3.02 -0.04 0.00 -0.57 0.00 0.00 43.02 39.31 1bcj s PHE 156 CO 0.02 -1.16 -0.23 -0.51 -0.10 0.00 0.00 175.22 173.24 1bcj s LEU 157 N -4.50 2.46 -0.08 -0.37 1.43 0.99 -4.69 118.68 113.92 1bcj s LEU 157 Ca 0.64 -0.89 -0.05 0.00 -1.03 0.00 0.00 54.13 52.80 1bcj s LEU 157 Cb -0.16 -1.13 -0.22 0.00 0.03 0.00 0.00 46.19 44.71 1bcj s LEU 157 CO 0.37 0.10 3.12 0.61 0.23 0.00 0.00 176.35 180.77 1bcj n GLY 158 N 0.15 2.76 2.88 -3.19 0.00 0.52 -4.51 105.19 103.79 1bcj n GLY 158 Ca -0.12 -1.04 -0.18 0.00 0.00 0.00 0.00 46.02 44.69 1bcj n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bcj s ILE 159 N 1.39 0.35 0.12 -0.61 1.01 -1.26 -0.18 121.20 122.01 1bcj s ILE 159 Ca 0.57 -0.06 -0.10 0.00 0.00 0.00 0.00 60.65 61.06 1bcj s ILE 159 Cb 0.26 -0.38 0.01 0.00 0.01 0.00 0.00 42.46 42.36 1bcj s ILE 159 CO -0.00 0.16 0.26 0.42 0.00 0.00 0.00 174.94 175.78 1bcj s THR 160 N 0.70 0.11 -0.26 2.92 -4.23 -0.59 -3.02 115.64 111.28 1bcj s THR 160 Ca -0.08 -1.09 0.09 0.00 -1.18 0.00 0.00 61.69 59.43 1bcj s THR 160 Cb -0.11 -1.42 0.45 0.00 1.34 0.00 0.00 72.50 72.76 1bcj s THR 160 CO -0.01 -0.49 1.20 -0.90 -0.54 0.00 0.00 174.62 173.88 1bcj n ASP 161 N -0.14 3.67 0.14 3.99 5.75 -0.33 -0.37 116.55 129.27 1bcj n ASP 161 Ca -0.13 -3.70 -0.01 0.00 -0.01 0.00 0.00 54.79 50.93 1bcj n ASP 161 Cb 0.63 -0.41 0.22 0.00 -1.03 0.00 0.00 41.12 40.53 1bcj n ASP 161 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1bcj h GLU 162 N 1.78 0.04 -0.01 0.11 5.08 -1.85 -3.10 114.58 116.63 1bcj h GLU 162 Ca 0.22 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.36 1bcj h GLU 162 Cb 1.36 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.63 1bcj h GLU 162 CO 0.48 0.56 -0.77 0.28 -1.00 0.00 0.00 179.01 178.56 1bcj h VAL 163 N 0.03 1.37 -2.62 3.13 2.07 -1.88 -3.43 116.25 114.92 1bcj h VAL 163 Ca -0.00 -2.13 -0.42 0.00 0.82 0.00 0.00 66.70 64.97 1bcj h VAL 163 Cb 0.96 2.48 -0.38 0.00 -1.52 0.00 0.00 31.29 32.83 1bcj h VAL 163 CO 0.07 0.64 -0.70 -0.89 0.02 0.00 0.00 177.57 176.71 1bcj s THR 164 N -3.28 -0.22 0.01 2.57 2.01 -1.23 -5.12 115.64 110.38 1bcj s THR 164 Ca -0.12 -0.42 -0.39 0.00 0.31 0.00 0.00 61.69 61.06 1bcj s THR 164 Cb 0.05 -0.83 -0.19 0.00 0.01 0.00 0.00 72.50 71.54 1bcj s THR 164 CO 0.86 -0.45 1.15 1.21 -0.69 0.00 0.00 174.62 176.70 1bcj n GLU 165 N 5.29 0.31 0.00 4.92 4.07 -1.17 -1.20 120.64 132.86 1bcj n GLU 165 Ca -0.05 0.11 0.00 0.00 -0.06 0.00 0.00 57.16 57.16 1bcj n GLU 165 Cb 0.46 -1.65 0.00 0.00 -0.06 0.00 0.00 31.44 30.19 1bcj n GLU 165 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1bcj n GLY 166 N 1.82 3.21 3.18 8.31 0.00 -1.26 -5.00 105.19 115.45 1bcj n GLY 166 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1bcj n GLY 166 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bcj s GLN 167 N -0.51 2.27 -0.01 1.61 -0.21 -0.34 -5.07 119.66 117.40 1bcj s GLN 167 Ca 0.00 -1.69 -0.30 0.00 0.02 0.00 0.00 55.36 53.39 1bcj s GLN 167 Cb 0.00 -3.68 -0.03 0.00 1.00 0.00 0.00 33.01 30.30 1bcj s GLN 167 CO 0.00 -1.05 1.07 -0.06 -2.12 0.00 0.00 175.29 173.13 1bcj s PHE 168 N 1.26 3.52 0.20 0.91 0.40 -1.26 -4.35 117.98 118.65 1bcj s PHE 168 Ca 0.06 1.52 0.10 0.00 -0.60 0.00 0.00 56.93 58.01 1bcj s PHE 168 Cb -0.23 -3.24 -0.04 0.00 0.51 0.00 0.00 43.02 40.01 1bcj s PHE 168 CO -0.02 -0.52 -0.21 -1.64 0.70 0.00 0.00 175.22 173.53 1bcj s MET 169 N 1.38 1.45 0.31 0.44 -1.94 0.50 -3.77 119.30 117.67 1bcj s MET 169 Ca 0.53 -1.52 -0.28 0.00 -1.71 0.00 0.00 55.69 52.71 1bcj s MET 169 Cb -0.23 -1.62 -0.09 0.00 2.01 0.00 0.00 34.83 34.90 1bcj s MET 169 CO 0.26 0.33 1.14 0.71 -0.01 0.00 0.00 175.02 177.45 1bcj s TYR 170 N -1.99 3.40 -0.04 -0.03 2.02 -0.46 -1.53 117.35 118.72 1bcj s TYR 170 Ca 0.20 1.63 0.26 0.00 -0.37 0.00 0.00 57.07 58.79 1bcj s TYR 170 Cb -0.06 -3.35 1.40 0.00 -0.40 0.00 0.00 41.96 39.55 1bcj s TYR 170 CO 0.09 -0.87 1.79 -0.39 -1.57 0.00 0.00 175.55 174.61 1bcj h VAL 171 N 2.92 0.00 -0.37 0.71 -1.51 -0.92 0.65 116.25 117.74 1bcj h VAL 171 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 1bcj h VAL 171 Cb 1.22 0.57 0.00 0.00 -2.13 0.00 0.00 31.29 30.95 1bcj h VAL 171 CO 0.66 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.35 1bcj n THR 172 N -2.41 0.48 0.00 7.19 -2.24 -1.26 -5.04 114.28 111.00 1bcj n THR 172 Ca -0.02 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1bcj n THR 172 Cb 0.04 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 1bcj n THR 172 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bcj n GLY 173 N 1.36 1.78 0.00 3.38 0.00 0.23 -5.15 105.19 106.78 1bcj n GLY 173 Ca 0.18 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1bcj n GLY 173 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bcj n GLY 174 N 1.76 1.88 3.86 -0.02 0.00 -1.26 -4.36 105.19 107.05 1bcj n GLY 174 Ca 0.00 -1.82 -0.31 0.00 0.00 0.00 0.00 46.02 43.89 1bcj n GLY 174 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bcj s ARG 175 N -3.30 3.60 0.22 1.61 0.52 -1.26 -1.35 118.95 118.99 1bcj s ARG 175 Ca 0.00 0.82 -0.30 0.00 -0.52 0.00 0.00 55.73 55.73 1bcj s ARG 175 Cb 0.00 -2.08 -0.09 0.00 0.52 0.00 0.00 34.95 33.30 1bcj s ARG 175 CO 0.00 -0.57 1.39 -0.51 0.02 0.00 0.00 175.30 175.63 1bcj s LEU 176 N -4.99 4.40 0.00 2.53 1.43 -1.25 -4.82 118.68 115.99 1bcj s LEU 176 Ca 0.56 2.54 0.11 0.00 -1.03 0.00 0.00 54.13 56.31 1bcj s LEU 176 Cb -0.11 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.42 1bcj s LEU 176 CO 0.49 -0.63 0.56 0.35 0.23 0.00 0.00 176.35 177.35 1bcj n THR 177 N 2.62 0.00 -3.69 5.49 -2.24 -1.26 -4.97 114.28 110.23 1bcj n THR 177 Ca 0.07 -0.29 -0.13 0.00 -2.27 0.00 0.00 64.05 61.42 1bcj n THR 177 Cb 0.41 1.06 -0.09 0.00 -2.10 0.00 0.00 70.33 69.61 1bcj n THR 177 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1bcj s TYR 178 N -1.83 -0.60 0.04 4.78 5.04 -1.26 -5.05 117.35 118.46 1bcj s TYR 178 Ca 0.06 1.46 -0.11 0.00 -2.44 0.00 0.00 57.07 56.04 1bcj s TYR 178 Cb 0.09 0.21 0.01 0.00 0.35 0.00 0.00 41.96 42.62 1bcj s TYR 178 CO 0.39 -0.29 0.23 -1.54 -1.34 0.00 0.00 175.55 173.00 1bcj s SER 179 N 0.34 -0.02 -0.32 4.32 1.04 -1.26 -4.97 113.70 112.83 1bcj s SER 179 Ca -0.00 -0.29 0.18 0.00 0.48 0.00 0.00 55.95 56.32 1bcj s SER 179 Cb -0.04 0.31 0.46 0.00 0.10 0.00 0.00 66.02 66.85 1bcj s SER 179 CO -0.00 -0.56 0.97 -3.20 0.98 0.00 0.00 173.24 171.43 1bcj n ASN 180 N 0.70 1.55 -4.73 7.02 5.15 -1.26 -5.07 115.26 118.61 1bcj n ASN 180 Ca -0.19 -2.66 -0.42 0.00 -0.60 0.00 0.00 54.58 50.71 1bcj n ASN 180 Cb 0.59 -0.52 -0.02 0.00 -0.53 0.00 0.00 39.78 39.30 1bcj n ASN 180 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1bcj n TRP 181 N -0.14 2.74 -1.36 1.20 7.02 -1.26 -0.22 117.44 125.43 1bcj n TRP 181 Ca 0.10 0.28 -0.30 0.00 -1.02 0.00 0.00 57.50 56.55 1bcj n TRP 181 Cb 0.81 -2.58 0.10 0.00 -2.42 0.00 0.00 31.31 27.23 1bcj n TRP 181 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1bcj s LYS 182 N -0.47 2.01 0.30 -0.99 2.20 0.06 -4.69 119.74 118.16 1bcj s LYS 182 Ca 0.65 0.91 -0.29 0.00 -0.36 0.00 0.00 55.97 56.87 1bcj s LYS 182 Cb -0.52 -1.89 -0.10 0.00 -1.51 0.00 0.00 37.83 33.81 1bcj s LYS 182 CO 0.48 -1.74 1.43 0.21 -0.36 0.00 0.00 175.35 175.37 1bcj s LYS 183 N -4.99 4.25 -0.10 4.03 2.20 -1.26 -2.47 119.74 121.40 1bcj s LYS 183 Ca 0.61 2.36 0.00 0.00 -0.36 0.00 0.00 55.97 58.58 1bcj s LYS 183 Cb -0.16 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 1bcj s LYS 183 CO 0.56 -0.40 0.00 -0.25 -0.36 0.00 0.00 175.35 174.90 1bcj n ASP 184 N 1.58 -3.48 -4.23 1.43 8.00 -1.26 -5.02 116.55 113.57 1bcj n ASP 184 Ca 0.04 0.02 -0.21 0.00 0.71 0.00 0.00 54.79 55.36 1bcj n ASP 184 Cb 0.40 -1.06 -0.12 0.00 -0.02 0.00 0.00 41.12 40.32 1bcj n ASP 184 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1bcj s GLN 185 N -0.84 0.97 0.42 -1.24 -1.52 -1.03 -4.29 119.66 112.13 1bcj s GLN 185 Ca 0.00 -1.07 -0.23 0.00 -1.95 0.00 0.00 55.36 52.11 1bcj s GLN 185 Cb 0.00 -1.08 -0.09 0.00 -0.22 0.00 0.00 33.01 31.62 1bcj s GLN 185 CO 0.00 0.24 1.04 -1.25 -0.25 0.00 0.00 175.29 175.07 1bcj s PRO 186 N -1.90 4.08 0.00 2.91 0.04 -1.26 -4.59 135.00 134.29 1bcj s PRO 186 Ca 0.03 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1bcj s PRO 186 Cb -0.10 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.03 1bcj s PRO 186 CO 0.03 -0.20 0.19 -0.40 0.04 0.00 0.00 177.00 176.66 1bcj n ASP 187 N -0.32 0.38 -3.90 6.66 5.75 -1.26 -5.03 116.55 118.83 1bcj n ASP 187 Ca 0.06 -0.70 -0.25 0.00 -0.01 0.00 0.00 54.79 53.88 1bcj n ASP 187 Cb 0.51 0.32 -0.01 0.00 -1.03 0.00 0.00 41.12 40.90 1bcj n ASP 187 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1bcj n ASP 188 N -0.32 -0.81 -4.77 -1.12 2.03 -1.26 -4.87 116.55 105.43 1bcj n ASP 188 Ca 0.00 -0.99 -0.40 0.00 0.52 0.00 0.00 54.79 53.92 1bcj n ASP 188 Cb 0.04 -3.20 -0.01 0.00 -0.72 0.00 0.00 41.12 37.23 1bcj n ASP 188 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 1bcj s TRP 189 N -3.88 2.86 -0.13 -0.67 -0.00 -1.26 -4.28 118.94 111.58 1bcj s TRP 189 Ca 0.04 1.38 0.14 0.00 -0.00 0.00 0.00 56.10 57.66 1bcj s TRP 189 Cb -0.02 -3.72 -0.20 0.00 -0.00 0.00 0.00 33.47 29.53 1bcj s TRP 189 CO 0.88 -2.14 0.35 0.98 -0.00 0.00 0.00 176.95 177.01 1bcj n TYR 190 N 0.40 0.00 0.00 5.86 9.36 -1.26 -3.84 117.16 127.68 1bcj n TYR 190 Ca 0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.24 1bcj n TYR 190 Cb 0.42 -0.26 0.00 0.00 -0.63 0.00 0.00 39.34 38.88 1bcj n TYR 190 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1bcj n GLY 191 N 1.65 -0.03 0.09 2.98 0.00 -1.26 -2.77 105.19 105.86 1bcj n GLY 191 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.13 1bcj n GLY 191 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1bcj n HIS 192 N -1.01 0.80 -1.13 1.61 1.44 -1.26 -4.94 115.22 110.73 1bcj n HIS 192 Ca 0.00 0.24 -0.04 0.00 -2.01 0.00 0.00 57.72 55.91 1bcj n HIS 192 Cb 0.00 -0.89 -0.02 0.00 0.12 0.00 0.00 29.99 29.20 1bcj n HIS 192 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1bcj n GLY 193 N 1.18 0.66 0.01 -1.39 0.00 -1.12 -4.86 105.19 99.68 1bcj n GLY 193 Ca 0.05 -0.26 0.11 0.00 0.00 0.00 0.00 46.02 45.92 1bcj n GLY 193 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bcj n LEU 194 N -0.50 0.66 0.00 0.99 4.77 -1.26 -5.06 117.00 116.61 1bcj n LEU 194 Ca -0.04 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1bcj n LEU 194 Cb 0.27 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1bcj n LEU 194 CO 0.07 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 1bcj n GLY 195 N 1.45 1.58 0.41 -0.72 0.00 -1.26 -5.06 105.19 101.58 1bcj n GLY 195 Ca 0.04 -1.54 0.05 0.00 0.00 0.00 0.00 46.02 44.57 1bcj n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bcj n GLY 196 N 1.67 -2.02 0.00 -0.02 0.00 -1.26 -4.95 105.19 98.61 1bcj n GLY 196 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1bcj n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bcj n GLY 197 N -2.82 0.82 2.65 -0.02 0.00 -1.26 -4.61 105.19 99.96 1bcj n GLY 197 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 1bcj n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bcj s GLU 198 N 0.47 0.07 0.00 1.61 2.02 -1.25 -4.48 118.70 117.14 1bcj s GLU 198 Ca 0.00 0.05 0.07 0.00 0.02 0.00 0.00 54.97 55.11 1bcj s GLU 198 Cb 0.00 -1.51 -0.04 0.00 0.10 0.00 0.00 34.13 32.68 1bcj s GLU 198 CO 0.00 -0.62 0.40 -0.25 0.02 0.00 0.00 175.26 174.81 1bcj n ASP 199 N 5.29 0.66 -4.93 -0.19 9.92 -1.22 -4.49 116.55 121.60 1bcj n ASP 199 Ca -0.06 -0.83 -0.21 0.00 -0.53 0.00 0.00 54.79 53.16 1bcj n ASP 199 Cb 0.49 0.73 -0.01 0.00 -0.64 0.00 0.00 41.12 41.70 1bcj n ASP 199 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bcj s VAL 201 N -2.52 0.77 0.02 0.00 1.01 -1.17 0.65 120.40 119.16 1bcj s VAL 201 Ca 0.49 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.07 1bcj s VAL 201 Cb -0.05 -0.64 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 1bcj s VAL 201 CO 0.29 0.21 -0.06 -1.38 0.00 0.00 0.00 175.10 174.17 1bcj s HIS 202 N -0.23 0.51 -0.22 5.22 -3.43 -0.83 -0.00 115.29 116.30 1bcj s HIS 202 Ca 0.04 -0.29 -0.22 0.00 -0.80 0.00 0.00 55.06 53.79 1bcj s HIS 202 Cb -0.04 -0.32 -0.02 0.00 -1.43 0.00 0.00 32.58 30.78 1bcj s HIS 202 CO -0.00 -0.05 0.71 -1.50 -2.00 0.00 0.00 174.74 171.89 1bcj s ILE 203 N -0.73 4.94 0.00 -5.38 2.07 0.39 -2.52 121.20 119.97 1bcj s ILE 203 Ca -0.04 1.33 0.00 0.00 -1.41 0.00 0.00 60.65 60.53 1bcj s ILE 203 Cb -0.06 -4.01 0.00 0.00 0.13 0.00 0.00 42.46 38.52 1bcj s ILE 203 CO 0.00 0.03 0.00 1.33 -1.91 0.00 0.00 174.94 174.39 1bcj n VAL 204 N 4.98 0.00 -2.78 4.00 0.24 0.51 -3.05 118.33 122.23 1bcj n VAL 204 Ca 0.01 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.90 1bcj n VAL 204 Cb 0.49 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.82 1bcj n VAL 204 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1bcj s ASP 205 N -1.00 7.40 0.00 -1.34 1.01 -1.26 -3.36 116.67 118.12 1bcj s ASP 205 Ca 0.00 1.68 0.00 0.00 0.71 0.00 0.00 52.55 54.94 1bcj s ASP 205 Cb 0.00 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.37 1bcj s ASP 205 CO 0.00 -0.10 0.00 -3.20 0.21 0.00 0.00 175.17 172.08 1bcj n ASN 206 N 3.11 -1.41 0.00 0.27 5.15 -1.26 -3.33 115.26 117.79 1bcj n ASN 206 Ca 0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.00 1bcj n ASN 206 Cb 0.50 -0.24 0.00 0.00 -0.53 0.00 0.00 39.78 39.51 1bcj n ASN 206 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1bcj n GLY 207 N -2.47 0.63 3.85 8.20 0.00 -1.21 -5.04 105.19 109.14 1bcj n GLY 207 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1bcj n GLY 207 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bcj s LEU 208 N 0.00 3.45 0.17 0.99 1.43 -1.21 -4.76 118.68 118.75 1bcj s LEU 208 Ca 0.00 1.53 0.00 0.00 -1.03 0.00 0.00 54.13 54.63 1bcj s LEU 208 Cb 0.00 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.68 1bcj s LEU 208 CO 0.00 -0.76 0.35 0.26 0.23 0.00 0.00 176.35 176.43 1bcj s TRP 209 N -2.84 3.49 -0.16 0.29 0.52 0.69 -0.36 118.94 120.56 1bcj s TRP 209 Ca 0.58 0.27 -0.13 0.00 0.02 0.00 0.00 56.10 56.84 1bcj s TRP 209 Cb -0.11 -1.79 0.04 0.00 -1.15 0.00 0.00 33.47 30.46 1bcj s TRP 209 CO 0.41 0.44 0.40 1.21 0.02 0.00 0.00 176.95 179.43 1bcj s ASN 210 N -3.12 -0.44 0.13 2.95 2.47 -1.05 -0.76 114.94 115.11 1bcj s ASN 210 Ca 0.37 0.83 -0.28 0.00 0.42 0.00 0.00 52.86 54.20 1bcj s ASN 210 Cb -0.11 0.80 -0.07 0.00 -1.45 0.00 0.00 41.25 40.42 1bcj s ASN 210 CO 0.29 -0.15 0.89 1.51 -3.72 0.00 0.00 177.10 175.91 1bcj s ASP 211 N 0.55 7.45 0.11 -4.21 -4.77 -1.26 -1.97 116.67 112.57 1bcj s ASP 211 Ca -0.03 1.73 -0.01 0.00 -3.30 0.00 0.00 52.55 50.95 1bcj s ASP 211 Cb -0.04 -2.55 -0.04 0.00 -1.09 0.00 0.00 42.92 39.19 1bcj s ASP 211 CO -0.03 0.04 0.02 -0.51 0.70 0.00 0.00 175.17 175.38 1bcj s ILE 212 N -0.42 0.22 0.20 2.11 1.10 0.21 -4.85 121.20 119.76 1bcj s ILE 212 Ca 0.42 -1.89 -0.31 0.00 -0.51 0.00 0.00 60.65 58.36 1bcj s ILE 212 Cb -0.23 -1.87 -0.11 0.00 0.15 0.00 0.00 42.46 40.40 1bcj s ILE 212 CO 0.28 -0.65 1.58 -0.55 -2.11 0.00 0.00 174.94 173.49 1bcj s SER 213 N -3.02 6.54 0.27 4.50 0.15 -1.26 -1.23 113.70 119.65 1bcj s SER 213 Ca 0.18 2.70 0.22 0.00 0.70 0.00 0.00 55.95 59.75 1bcj s SER 213 Cb 0.07 -2.60 1.03 0.00 -1.71 0.00 0.00 66.02 62.81 1bcj s SER 213 CO -0.02 -0.84 1.66 0.00 1.20 0.00 0.00 173.24 175.24 1bcj h GLN 215 N 0.00 0.00 -7.23 0.00 1.08 -1.95 -2.30 115.11 104.71 1bcj h GLN 215 Ca 0.00 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.68 1bcj h GLN 215 Cb 0.19 0.00 0.14 0.00 -0.05 0.00 0.00 27.48 27.75 1bcj h GLN 215 CO 0.00 0.64 0.35 0.00 -0.95 0.00 0.00 178.83 178.87 1bcj s ALA 216 N -2.93 2.20 -0.23 3.87 0.00 -0.51 -4.64 121.76 119.52 1bcj s ALA 216 Ca 0.03 0.59 -0.07 0.00 0.00 0.00 0.00 51.96 52.51 1bcj s ALA 216 Cb 0.08 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 1bcj s ALA 216 CO 0.76 -1.73 0.05 -1.12 0.00 0.00 0.00 175.76 173.72 1bcj s SER 217 N -2.60 5.05 0.23 0.00 0.01 -1.26 -3.84 113.70 111.28 1bcj s SER 217 Ca 0.68 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.74 1bcj s SER 217 Cb -0.22 -1.89 -0.04 0.00 0.21 0.00 0.00 66.02 64.07 1bcj s SER 217 CO 0.48 0.00 0.13 -1.00 0.41 0.00 0.00 173.24 173.26 1bcj s HIS 218 N 1.40 1.30 0.16 2.43 3.76 -0.69 -4.50 115.29 119.16 1bcj s HIS 218 Ca 0.05 -1.35 -0.34 0.00 -0.15 0.00 0.00 55.06 53.27 1bcj s HIS 218 Cb -0.15 -0.66 -0.14 0.00 1.11 0.00 0.00 32.58 32.75 1bcj s HIS 218 CO 0.03 -0.58 1.60 2.41 -0.85 0.00 0.00 174.74 177.35 1bcj n THR 219 N -0.35 0.02 -2.87 1.30 -1.04 -0.83 -0.90 114.28 109.61 1bcj n THR 219 Ca 0.02 -0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.61 1bcj n THR 219 Cb 0.66 -1.60 -0.04 0.00 -1.82 0.00 0.00 70.33 67.53 1bcj n THR 219 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bcj s ALA 220 N 1.06 3.63 -0.12 2.41 0.00 -0.16 -2.62 121.76 125.95 1bcj s ALA 220 Ca 0.79 -0.07 -0.01 0.00 0.00 0.00 0.00 51.96 52.67 1bcj s ALA 220 Cb -0.66 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.19 1bcj s ALA 220 CO 0.38 -0.88 -0.04 0.08 0.00 0.00 0.00 175.76 175.29 1bcj s VAL 221 N 2.73 0.85 0.13 0.00 1.01 -1.26 -4.08 120.40 119.78 1bcj s VAL 221 Ca 0.36 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.08 1bcj s VAL 221 Cb -0.15 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 1bcj s VAL 221 CO 0.08 0.24 0.21 0.00 0.00 0.00 0.00 175.10 175.63 1bcj s GLU 223 N -3.02 2.30 0.04 0.00 2.12 0.18 -1.62 118.70 118.70 1bcj s GLU 223 Ca 0.33 -0.82 0.07 0.00 0.36 0.00 0.00 54.97 54.91 1bcj s GLU 223 Cb -0.11 -2.21 -0.02 0.00 0.26 0.00 0.00 34.13 32.04 1bcj s GLU 223 CO 0.26 0.59 -0.19 -0.06 -0.54 0.00 0.00 175.26 175.32 1bcj s PHE 224 N -0.69 1.66 0.66 5.30 0.08 -0.73 -1.83 117.98 122.44 1bcj s PHE 224 Ca 0.11 -0.37 -0.17 0.00 0.12 0.00 0.00 56.93 56.62 1bcj s PHE 224 Cb -0.10 -0.99 -0.03 0.00 -0.57 0.00 0.00 43.02 41.33 1bcj s PHE 224 CO 0.00 0.08 0.89 -2.30 -0.10 0.00 0.00 175.22 173.79 1bcj n PRO 225 N 1.85 0.65 0.00 0.24 -0.02 -1.26 -2.14 135.00 134.32 1bcj n PRO 225 Ca -0.17 0.27 0.02 0.00 -2.02 0.00 0.00 63.50 61.60 1bcj n PRO 225 Cb 0.54 -2.13 0.12 0.00 -0.02 0.00 0.00 33.50 32.02 1bcj n PRO 225 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48