#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mbj n TYR 2 N 0.00 -3.26 -1.95 1.61 4.01 -1.26 -5.06 117.16 111.25 3mbj n TYR 2 Ca 0.00 0.18 -0.36 0.00 -0.16 0.00 0.00 57.90 57.56 3mbj n TYR 2 Cb 0.00 -1.51 0.04 0.00 -0.31 0.00 0.00 39.34 37.56 3mbj n TYR 2 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3mbj s ALA 3 N -2.11 2.55 0.12 -0.72 0.00 -1.26 -4.93 121.76 115.41 3mbj s ALA 3 Ca 0.44 1.08 -0.31 0.00 0.00 0.00 0.00 51.96 53.17 3mbj s ALA 3 Cb -0.12 -3.48 -0.10 0.00 0.00 0.00 0.00 23.12 19.42 3mbj s ALA 3 CO 0.75 -1.25 1.69 -0.80 0.00 0.00 0.00 175.76 176.15 3mbj s ASN 4 N -1.49 6.53 0.15 0.00 0.01 -1.26 -4.89 114.94 113.99 3mbj s ASN 4 Ca 0.78 2.62 0.13 0.00 -0.71 0.00 0.00 52.86 55.68 3mbj s ASN 4 Cb -0.33 -2.57 -0.10 0.00 0.41 0.00 0.00 41.25 38.66 3mbj s ASN 4 CO 0.35 -0.91 1.16 0.11 -1.51 0.00 0.00 177.10 176.31 3mbj h LYS 5 N 7.94 0.00 -5.19 -0.60 1.79 -2.02 -3.42 116.57 115.07 3mbj h LYS 5 Ca -0.44 0.00 -0.67 0.00 -2.18 0.00 0.00 60.65 57.36 3mbj h LYS 5 Cb 1.21 0.00 -0.34 0.00 -1.58 0.00 0.00 32.23 31.52 3mbj h LYS 5 CO 0.93 0.60 -0.87 0.08 -1.08 0.00 0.00 179.45 179.11 3mbj s VAL 6 N -2.84 2.03 0.37 0.50 1.01 -1.26 -5.11 120.40 115.11 3mbj s VAL 6 Ca 0.01 -0.97 -0.28 0.00 0.00 0.00 0.00 61.98 60.74 3mbj s VAL 6 Cb 0.09 -1.79 -0.11 0.00 0.00 0.00 0.00 36.38 34.57 3mbj s VAL 6 CO 0.79 0.55 1.50 -0.54 0.00 0.00 0.00 175.10 177.40 3mbj s LYS 7 N 0.76 4.10 -0.14 2.72 1.02 -1.26 -4.65 119.74 122.29 3mbj s LYS 7 Ca -0.09 2.59 -0.04 0.00 0.02 0.00 0.00 55.97 58.45 3mbj s LYS 7 Cb -0.16 -2.97 -0.03 0.00 -0.52 0.00 0.00 37.83 34.15 3mbj s LYS 7 CO -0.00 -0.55 0.00 0.15 -0.92 0.00 0.00 175.35 174.03 3mbj s LYS 8 N -2.00 3.52 -0.23 1.68 1.02 -1.26 -1.09 119.74 121.38 3mbj s LYS 8 Ca 0.54 -0.43 0.01 0.00 0.02 0.00 0.00 55.97 56.11 3mbj s LYS 8 Cb -0.47 -2.96 0.06 0.00 -0.52 0.00 0.00 37.83 33.94 3mbj s LYS 8 CO 0.63 0.42 -0.08 0.42 -0.92 0.00 0.00 175.35 175.81 3mbj s ILE 9 N -0.08 1.70 -0.08 2.17 1.01 0.14 0.07 121.20 126.14 3mbj s ILE 9 Ca 0.04 -1.26 -0.30 0.00 0.00 0.00 0.00 60.65 59.13 3mbj s ILE 9 Cb -0.13 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 3mbj s ILE 9 CO 0.02 -0.02 1.49 0.00 0.00 0.00 0.00 174.94 176.44 3mbj s ALA 10 N 1.33 3.63 -0.31 9.38 0.00 -0.74 -0.50 121.76 134.55 3mbj s ALA 10 Ca -0.05 0.78 -0.04 0.00 0.00 0.00 0.00 51.96 52.65 3mbj s ALA 10 Cb -0.18 -3.68 0.04 0.00 0.00 0.00 0.00 23.12 19.29 3mbj s ALA 10 CO -0.06 -1.25 0.04 0.00 0.00 0.00 0.00 175.76 174.48 3mbj s ALA 11 N 3.61 2.90 -0.77 0.00 0.00 -0.77 -0.60 121.76 126.14 3mbj s ALA 11 Ca 0.66 -1.73 -0.12 0.00 0.00 0.00 0.00 51.96 50.77 3mbj s ALA 11 Cb -0.29 -2.06 0.20 0.00 0.00 0.00 0.00 23.12 20.97 3mbj s ALA 11 CO 0.24 -1.26 0.69 0.08 0.00 0.00 0.00 175.76 175.51 3mbj s VAL 12 N 1.32 5.24 0.16 0.00 1.01 -0.24 -0.95 120.40 126.95 3mbj s VAL 12 Ca -0.03 -2.47 -0.10 0.00 0.00 0.00 0.00 61.98 59.38 3mbj s VAL 12 Cb -0.19 -4.27 -0.00 0.00 0.00 0.00 0.00 36.38 31.91 3mbj s VAL 12 CO 0.00 -0.99 0.30 -1.00 0.00 0.00 0.00 175.10 173.42 3mbj s HIS 13 N 0.26 0.33 0.83 5.22 3.76 -1.24 -1.16 115.29 123.29 3mbj s HIS 13 Ca 0.16 -0.69 -0.12 0.00 -0.15 0.00 0.00 55.06 54.26 3mbj s HIS 13 Cb -0.14 -0.01 0.09 0.00 1.11 0.00 0.00 32.58 33.64 3mbj s HIS 13 CO -0.07 -0.73 1.13 0.16 -0.85 0.00 0.00 174.74 174.38 3mbj s ASP 14 N -2.95 4.24 -0.27 1.40 1.47 -1.26 -2.25 116.67 117.05 3mbj s ASP 14 Ca 0.15 1.06 -0.05 0.00 1.18 0.00 0.00 52.55 54.89 3mbj s ASP 14 Cb 0.03 -1.69 0.01 0.00 -0.34 0.00 0.00 42.92 40.92 3mbj s ASP 14 CO -0.01 -2.10 0.02 -0.22 0.68 0.00 0.00 175.17 173.54 3mbj s LEU 15 N -5.78 3.47 -0.07 2.11 2.96 -0.60 -1.67 118.68 119.10 3mbj s LEU 15 Ca 0.62 -0.65 0.02 0.00 -0.22 0.00 0.00 54.13 53.89 3mbj s LEU 15 Cb -0.13 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 3mbj s LEU 15 CO 0.53 -0.13 -0.11 -0.44 -1.32 0.00 0.00 176.35 174.88 3mbj s SER 16 N 1.46 4.32 0.00 3.68 0.01 -1.26 -0.81 113.70 121.10 3mbj s SER 16 Ca 0.03 -0.14 0.21 0.00 1.31 0.00 0.00 55.95 57.37 3mbj s SER 16 Cb -0.16 -1.11 1.08 0.00 0.21 0.00 0.00 66.02 66.04 3mbj s SER 16 CO -0.00 0.32 1.68 0.61 0.41 0.00 0.00 173.24 176.26 3mbj n GLY 17 N 2.47 -0.98 0.97 3.44 0.00 -0.06 -4.79 105.19 106.24 3mbj n GLY 17 Ca -0.18 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 45.83 3mbj n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mbj n GLY 19 N 0.52 -1.37 3.01 -0.02 0.00 -1.26 -4.96 105.19 101.11 3mbj n GLY 19 Ca 0.10 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 3mbj n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mbj s ARG 20 N -3.47 2.19 0.10 1.61 0.52 -1.19 -4.99 118.95 113.71 3mbj s ARG 20 Ca 0.00 -2.56 -0.03 0.00 -0.52 0.00 0.00 55.73 52.61 3mbj s ARG 20 Cb 0.00 -3.47 -0.03 0.00 0.52 0.00 0.00 34.95 31.97 3mbj s ARG 20 CO 0.00 -1.13 0.07 0.14 0.02 0.00 0.00 175.30 174.40 3mbj s VAL 21 N -0.17 0.15 0.00 3.52 -7.23 -1.26 -3.95 120.40 111.46 3mbj s VAL 21 Ca 0.17 -1.69 0.00 0.00 -1.81 0.00 0.00 61.98 58.65 3mbj s VAL 21 Cb -0.24 -1.70 0.00 0.00 0.56 0.00 0.00 36.38 35.00 3mbj s VAL 21 CO -0.02 -0.68 0.00 -1.54 -0.31 0.00 0.00 175.10 172.55 3mbj n SER 22 N -0.02 0.00 0.24 4.85 3.41 -1.26 -2.10 113.62 118.74 3mbj n SER 22 Ca -0.11 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.60 3mbj n SER 22 Cb 0.62 0.00 0.61 0.00 -0.26 0.00 0.00 64.21 65.18 3mbj n SER 22 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3mbj h LEU 23 N 0.00 0.00 -0.00 1.04 3.38 -1.62 -0.40 115.31 117.70 3mbj h LEU 23 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mbj h LEU 23 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3mbj h LEU 23 CO 0.00 0.18 -0.01 0.35 0.09 0.00 0.00 178.44 179.05 3mbj n THR 24 N -3.76 0.00 -0.12 0.22 -2.24 -0.89 -1.22 114.28 106.27 3mbj n THR 24 Ca -0.02 -0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.55 3mbj n THR 24 Cb 0.29 -0.48 -0.09 0.00 -2.10 0.00 0.00 70.33 67.94 3mbj n THR 24 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3mbj n VAL 25 N -1.38 1.31 -0.21 2.28 0.24 -0.76 -4.50 118.33 115.31 3mbj n VAL 25 Ca 0.11 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 3mbj n VAL 25 Cb 0.29 -1.58 0.11 0.00 -1.47 0.00 0.00 33.84 31.19 3mbj n VAL 25 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 3mbj h VAL 26 N -0.46 0.79 0.09 3.34 2.07 -1.14 -2.20 116.25 118.74 3mbj h VAL 26 Ca -0.56 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 3mbj h VAL 26 Cb 1.65 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 3mbj h VAL 26 CO -0.23 0.08 -0.04 0.40 0.02 0.00 0.00 177.57 177.80 3mbj h ILE 27 N 0.45 1.05 -0.19 4.57 2.04 -1.40 -2.34 117.51 121.68 3mbj h ILE 27 Ca 0.31 -0.51 -0.18 0.00 1.00 0.00 0.00 64.86 65.48 3mbj h ILE 27 Cb 0.37 1.38 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 3mbj h ILE 27 CO -0.30 0.13 -0.61 1.55 0.00 0.00 0.00 178.15 178.92 3mbj h PRO 28 N -0.35 0.64 0.47 2.37 0.13 -1.76 -1.80 132.00 131.69 3mbj h PRO 28 Ca -0.01 -0.44 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 3mbj h PRO 28 Cb 0.30 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.49 3mbj h PRO 28 CO 0.02 1.06 -0.30 0.82 -0.23 0.00 0.00 178.00 179.37 3mbj h ILE 29 N 0.48 0.38 -0.03 -3.56 2.04 -1.45 -1.11 117.51 114.25 3mbj h ILE 29 Ca -0.01 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.71 3mbj h ILE 29 Cb 1.19 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 3mbj h ILE 29 CO 0.12 0.00 -0.65 -0.07 0.00 0.00 0.00 178.15 177.55 3mbj h LEU 30 N -0.74 0.16 -1.16 1.44 3.38 -1.46 -2.06 115.31 114.87 3mbj h LEU 30 Ca -0.05 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 3mbj h LEU 30 Cb 0.61 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3mbj h LEU 30 CO 0.04 0.76 0.01 -1.28 0.09 0.00 0.00 178.44 178.07 3mbj h SER 31 N 0.10 0.55 0.00 -0.43 0.87 -1.22 -1.62 113.55 111.80 3mbj h SER 31 Ca -0.01 -0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.42 3mbj h SER 31 Cb 1.16 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.97 3mbj h SER 31 CO 0.09 0.62 -0.03 -1.54 -0.53 0.00 0.00 176.83 175.44 3mbj n SER 32 N -4.27 4.49 0.00 6.23 3.41 -0.42 -3.94 113.62 119.12 3mbj n SER 32 Ca 0.02 -2.20 0.00 0.00 -0.26 0.00 0.00 58.87 56.42 3mbj n SER 32 Cb 0.25 -0.98 0.00 0.00 -0.26 0.00 0.00 64.21 63.22 3mbj n SER 32 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mbj n GLY 34 N 1.72 0.83 3.22 5.00 0.00 -1.04 -4.99 105.19 109.93 3mbj n GLY 34 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 3mbj n GLY 34 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mbj s PHE 35 N -0.54 1.87 -0.14 1.61 0.08 -0.64 -4.45 117.98 115.77 3mbj s PHE 35 Ca 0.00 -0.35 -0.29 0.00 0.12 0.00 0.00 56.93 56.40 3mbj s PHE 35 Cb 0.00 -1.20 -0.01 0.00 -0.57 0.00 0.00 43.02 41.24 3mbj s PHE 35 CO 0.00 -0.03 1.11 -1.14 -0.10 0.00 0.00 175.22 175.06 3mbj s GLN 36 N -0.51 4.32 -0.27 0.44 0.74 -0.25 -2.99 119.66 121.14 3mbj s GLN 36 Ca 0.08 1.49 -0.14 0.00 0.05 0.00 0.00 55.36 56.84 3mbj s GLN 36 Cb -0.08 -3.62 -0.04 0.00 1.10 0.00 0.00 33.01 30.37 3mbj s GLN 36 CO -0.01 -0.52 0.33 0.08 -0.55 0.00 0.00 175.29 174.63 3mbj s VAL 37 N 2.71 5.21 -0.44 1.34 1.01 -1.26 -0.68 120.40 128.28 3mbj s VAL 37 Ca 0.50 0.48 -0.08 0.00 0.00 0.00 0.00 61.98 62.88 3mbj s VAL 37 Cb -0.19 -3.66 0.10 0.00 0.00 0.00 0.00 36.38 32.63 3mbj s VAL 37 CO 0.14 0.18 0.28 0.00 0.00 0.00 0.00 175.10 175.70 3mbj s PRO 39 N 1.33 4.45 -0.65 0.00 0.04 -1.26 -1.85 135.00 137.07 3mbj s PRO 39 Ca 0.05 1.90 -0.00 0.00 0.04 0.00 0.00 61.00 62.99 3mbj s PRO 39 Cb -0.24 -3.25 0.16 0.00 0.04 0.00 0.00 34.50 31.21 3mbj s PRO 39 CO -0.01 -0.16 0.45 -1.17 0.04 0.00 0.00 177.00 176.16 3mbj s LEU 40 N 0.05 5.02 0.31 -3.56 2.96 -0.13 -4.91 118.68 118.42 3mbj s LEU 40 Ca 0.55 -3.13 -0.29 0.00 -0.22 0.00 0.00 54.13 51.04 3mbj s LEU 40 Cb -0.33 -1.79 -0.10 0.00 0.50 0.00 0.00 46.19 44.47 3mbj s LEU 40 CO 0.35 -0.28 1.20 -2.16 -1.32 0.00 0.00 176.35 174.14 3mbj s PRO 41 N -0.46 4.49 0.08 0.98 0.04 -1.26 -3.60 135.00 135.27 3mbj s PRO 41 Ca 0.19 2.00 0.22 0.00 0.04 0.00 0.00 61.00 63.46 3mbj s PRO 41 Cb -0.18 -3.12 -0.10 0.00 0.04 0.00 0.00 34.50 31.14 3mbj s PRO 41 CO -0.05 0.01 0.86 0.25 0.04 0.00 0.00 177.00 178.11 3mbj n THR 42 N 0.98 0.27 -3.60 1.26 -2.24 -0.96 -4.81 114.28 105.18 3mbj n THR 42 Ca -0.01 -0.43 -0.05 0.00 -2.27 0.00 0.00 64.05 61.30 3mbj n THR 42 Cb 0.43 -0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.61 3mbj n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mbj s ALA 43 N -3.35 -2.05 -0.13 6.98 0.00 -1.26 -1.88 121.76 120.07 3mbj s ALA 43 Ca -0.01 1.61 0.02 0.00 0.00 0.00 0.00 51.96 53.58 3mbj s ALA 43 Cb 0.13 -0.39 -0.00 0.00 0.00 0.00 0.00 23.12 22.86 3mbj s ALA 43 CO 0.83 -0.51 -0.20 0.08 0.00 0.00 0.00 175.76 175.97 3mbj s VAL 44 N -2.07 2.38 0.05 0.00 1.01 -0.01 -1.55 120.40 120.20 3mbj s VAL 44 Ca 0.08 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.22 3mbj s VAL 44 Cb -0.01 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 3mbj s VAL 44 CO -0.05 0.54 -0.16 -0.76 0.00 0.00 0.00 175.10 174.67 3mbj s LEU 45 N 0.55 2.20 0.37 3.92 1.02 0.01 -0.58 118.68 126.17 3mbj s LEU 45 Ca -0.12 -0.52 0.10 0.00 0.02 0.00 0.00 54.13 53.61 3mbj s LEU 45 Cb -0.16 -0.68 0.73 0.00 0.02 0.00 0.00 46.19 46.09 3mbj s LEU 45 CO 0.04 0.04 1.87 0.77 0.02 0.00 0.00 176.35 179.09 3mbj h SER 46 N 4.73 0.19 -4.54 2.29 4.64 -1.84 -0.13 113.55 118.89 3mbj h SER 46 Ca -0.40 -0.05 0.21 0.00 -0.47 0.00 0.00 61.79 61.08 3mbj h SER 46 Cb 1.18 -0.05 -0.17 0.00 -0.31 0.00 0.00 62.40 63.05 3mbj h SER 46 CO 0.43 0.42 0.69 0.54 -0.87 0.00 0.00 176.83 178.04 3mbj s ASN 47 N -6.89 -0.21 1.08 4.97 4.22 -1.26 -2.82 114.94 114.03 3mbj s ASN 47 Ca -0.05 -0.03 -0.13 0.00 -2.14 0.00 0.00 52.86 50.52 3mbj s ASN 47 Cb 0.15 0.24 0.24 0.00 1.28 0.00 0.00 41.25 43.16 3mbj s ASN 47 CO 0.74 -0.40 1.06 -1.38 -2.04 0.00 0.00 177.10 175.08 3mbj s HIS 48 N -2.69 1.76 -2.00 1.54 -3.43 -1.26 -4.79 115.29 104.42 3mbj s HIS 48 Ca 0.08 1.05 0.11 0.00 -0.80 0.00 0.00 55.06 55.50 3mbj s HIS 48 Cb -0.01 -3.19 0.32 0.00 -1.43 0.00 0.00 32.58 28.27 3mbj s HIS 48 CO -0.06 -3.37 1.27 0.25 -2.00 0.00 0.00 174.74 170.83 3mbj n THR 49 N -4.53 0.47 1.16 -5.38 -2.24 -1.26 -3.20 114.28 99.30 3mbj n THR 49 Ca 0.04 -0.47 0.13 0.00 -2.27 0.00 0.00 64.05 61.48 3mbj n THR 49 Cb 0.56 0.24 0.38 0.00 -2.10 0.00 0.00 70.33 69.41 3mbj n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mbj n GLN 50 N 0.53 0.44 -2.05 -0.78 6.02 -1.26 -4.81 117.38 115.48 3mbj n GLN 50 Ca 0.12 -0.24 -0.28 0.00 -0.01 0.00 0.00 57.00 56.59 3mbj n GLN 50 Cb 0.30 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 30.13 3mbj n GLN 50 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 3mbj s TYR 51 N -2.72 3.11 0.11 1.08 2.02 -1.19 -5.01 117.35 114.74 3mbj s TYR 51 Ca 0.19 0.75 -0.15 0.00 -0.37 0.00 0.00 57.07 57.49 3mbj s TYR 51 Cb 0.19 -3.17 -0.04 0.00 -0.40 0.00 0.00 41.96 38.53 3mbj s TYR 51 CO 0.58 -1.35 1.53 -1.00 -1.57 0.00 0.00 175.55 173.75 3mbj h PRO 52 N -0.68 0.65 -5.71 -1.71 0.13 -1.91 -3.45 132.00 119.33 3mbj h PRO 52 Ca -0.45 -0.23 -0.60 0.00 -0.87 0.00 0.00 66.00 63.85 3mbj h PRO 52 Cb 1.29 -0.05 -0.13 0.00 0.13 0.00 0.00 31.00 32.24 3mbj h PRO 52 CO 0.63 0.79 -0.64 0.20 -0.23 0.00 0.00 178.00 178.76 3mbj s GLY 53 N -3.34 2.28 -0.15 1.56 0.00 -1.26 -5.12 107.32 101.29 3mbj s GLY 53 Ca -0.13 -2.16 -0.29 0.00 0.00 0.00 0.00 44.72 42.14 3mbj s GLY 53 CO 0.79 -2.02 0.85 -0.11 0.00 0.00 0.00 173.10 172.60 3mbj s PHE 54 N -2.76 -0.54 0.51 1.90 -0.71 -1.26 -4.91 117.98 110.21 3mbj s PHE 54 Ca 0.34 1.04 -0.17 0.00 -1.04 0.00 0.00 56.93 57.09 3mbj s PHE 54 Cb 0.06 0.40 -0.08 0.00 -1.21 0.00 0.00 43.02 42.20 3mbj s PHE 54 CO 0.17 -0.44 0.99 -1.54 -1.34 0.00 0.00 175.22 173.06 3mbj s SER 55 N -0.80 6.60 -0.14 1.98 1.04 -1.26 -4.92 113.70 116.20 3mbj s SER 55 Ca -0.05 1.61 -0.06 0.00 0.48 0.00 0.00 55.95 57.94 3mbj s SER 55 Cb -0.01 -2.52 0.06 0.00 0.10 0.00 0.00 66.02 63.65 3mbj s SER 55 CO 0.04 -0.60 0.30 0.12 0.98 0.00 0.00 173.24 174.08 3mbj s PHE 56 N -2.53 -0.48 -0.23 5.02 5.36 -1.26 -3.04 117.98 120.81 3mbj s PHE 56 Ca 0.60 1.06 0.01 0.00 -0.96 0.00 0.00 56.93 57.64 3mbj s PHE 56 Cb -0.10 0.09 0.06 0.00 -0.34 0.00 0.00 43.02 42.72 3mbj s PHE 56 CO 0.29 -0.34 -0.08 -1.17 -1.46 0.00 0.00 175.22 172.46 3mbj s LEU 57 N 1.97 2.69 0.05 6.12 2.96 0.26 -4.99 118.68 127.75 3mbj s LEU 57 Ca -0.04 -1.16 -0.31 0.00 -0.22 0.00 0.00 54.13 52.40 3mbj s LEU 57 Cb -0.11 -1.27 -0.06 0.00 0.50 0.00 0.00 46.19 45.25 3mbj s LEU 57 CO -0.10 -0.21 1.36 -0.62 -1.32 0.00 0.00 176.35 175.47 3mbj s ASP 58 N 1.33 6.88 -0.12 3.68 2.15 -1.26 -0.83 116.67 128.50 3mbj s ASP 58 Ca -0.06 2.17 0.15 0.00 0.43 0.00 0.00 52.55 55.25 3mbj s ASP 58 Cb -0.19 -2.57 0.54 0.00 -0.30 0.00 0.00 42.92 40.40 3mbj s ASP 58 CO -0.06 -0.65 1.45 0.18 -0.17 0.00 0.00 175.17 175.92 3mbj n LEU 59 N 4.59 3.99 -0.29 -1.34 7.99 -0.79 -4.67 117.00 126.48 3mbj n LEU 59 Ca 0.12 -2.63 0.11 0.00 -0.01 0.00 0.00 56.01 53.60 3mbj n LEU 59 Cb 0.44 -0.48 0.24 0.00 -0.11 0.00 0.00 43.42 43.51 3mbj n LEU 59 CO 0.58 0.72 0.87 0.74 -1.51 0.00 0.00 177.39 178.78 3mbj h THR 60 N 2.54 0.25 0.00 -5.08 2.02 -1.89 -0.11 112.91 110.64 3mbj h THR 60 Ca 0.00 -0.04 -0.05 0.00 0.77 0.00 0.00 66.41 67.08 3mbj h THR 60 Cb 1.31 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3mbj h THR 60 CO 0.19 0.02 -0.25 0.44 0.37 0.00 0.00 175.52 176.29 3mbj h ASP 61 N 0.12 0.00 -0.34 4.18 5.19 -1.95 -3.38 116.42 120.24 3mbj h ASP 61 Ca 0.51 0.00 -0.37 0.00 -0.62 0.00 0.00 57.03 56.56 3mbj h ASP 61 Cb 1.00 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 40.42 3mbj h ASP 61 CO -0.72 0.25 0.55 1.21 -3.12 0.00 0.00 179.24 177.41 3mbj n GLU 62 N -3.36 2.49 0.00 3.56 4.07 -0.06 -4.44 120.64 122.90 3mbj n GLU 62 Ca 0.00 -1.66 0.00 0.00 -0.06 0.00 0.00 57.16 55.45 3mbj n GLU 62 Cb 0.47 -2.18 0.00 0.00 -0.06 0.00 0.00 31.44 29.67 3mbj n GLU 62 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 3mbj n PRO 64 N 2.18 0.00 -0.17 5.31 -0.02 -1.26 -1.96 135.00 139.07 3mbj n PRO 64 Ca 0.50 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.89 3mbj n PRO 64 Cb 0.69 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.18 3mbj n PRO 64 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3mbj h LYS 65 N 0.00 0.88 -0.26 -0.52 1.57 -1.94 -0.11 116.57 116.19 3mbj h LYS 65 Ca 0.00 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 3mbj h LYS 65 Cb 0.00 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3mbj h LYS 65 CO 0.00 0.91 0.14 0.82 -0.57 0.00 0.00 179.45 180.75 3mbj h ILE 66 N 0.74 1.13 -0.84 1.86 2.04 -1.77 -2.62 117.51 118.06 3mbj h ILE 66 Ca 0.14 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 3mbj h ILE 66 Cb 0.51 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 3mbj h ILE 66 CO 0.03 0.13 0.43 0.40 0.00 0.00 0.00 178.15 179.14 3mbj h ILE 67 N 0.31 1.25 -0.96 -0.67 2.04 -1.81 -0.79 117.51 116.88 3mbj h ILE 67 Ca 0.09 -0.67 0.01 0.00 1.00 0.00 0.00 64.86 65.29 3mbj h ILE 67 Cb 0.09 0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 36.27 3mbj h ILE 67 CO -0.01 0.29 0.63 0.00 0.00 0.00 0.00 178.15 179.06 3mbj h ALA 68 N 1.23 1.31 -0.39 1.87 0.00 -0.89 -1.29 119.26 121.11 3mbj h ALA 68 Ca 0.29 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 3mbj h ALA 68 Cb 0.08 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3mbj h ALA 68 CO -0.04 0.64 -0.17 0.93 0.00 0.00 0.00 179.25 180.61 3mbj h GLU 69 N 1.30 0.80 -0.59 0.00 4.39 -1.00 -2.69 114.58 116.79 3mbj h GLU 69 Ca 0.35 -0.34 0.03 0.00 0.34 0.00 0.00 59.36 59.74 3mbj h GLU 69 Cb -0.14 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.45 3mbj h GLU 69 CO -0.07 0.96 0.39 -1.49 -1.16 0.00 0.00 179.01 177.64 3mbj h TRP 70 N 0.60 0.67 -0.61 4.33 6.55 -0.74 -0.23 115.95 126.51 3mbj h TRP 70 Ca 0.09 0.02 -0.04 0.00 0.95 0.00 0.00 58.89 59.91 3mbj h TRP 70 Cb 0.72 -0.22 -0.03 0.00 -0.86 0.00 0.00 29.16 28.77 3mbj h TRP 70 CO 0.06 0.39 0.24 0.87 -1.05 0.00 0.00 178.44 178.95 3mbj h LYS 71 N 0.70 0.91 -0.51 0.49 1.57 -1.13 -1.96 116.57 116.64 3mbj h LYS 71 Ca 0.24 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.76 3mbj h LYS 71 Cb 0.09 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3mbj h LYS 71 CO -0.06 0.78 -0.05 0.87 -0.57 0.00 0.00 179.45 180.42 3mbj h LYS 72 N 0.85 0.89 0.00 3.15 1.57 -0.94 -1.76 116.57 120.33 3mbj h LYS 72 Ca 0.20 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3mbj h LYS 72 Cb 0.21 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3mbj h LYS 72 CO -0.02 0.92 0.00 1.28 -0.57 0.00 0.00 179.45 181.06 3mbj n LEU 73 N -4.18 0.34 -3.60 2.94 4.77 -0.20 -4.92 117.00 112.16 3mbj n LEU 73 Ca 0.02 0.58 -0.27 0.00 -0.03 0.00 0.00 56.01 56.31 3mbj n LEU 73 Cb 0.35 -0.52 0.03 0.00 -2.33 0.00 0.00 43.42 40.94 3mbj n LEU 73 CO 0.43 -0.36 0.07 -0.62 -1.33 0.00 0.00 177.39 175.58 3mbj n GLU 74 N -1.87 -5.18 -2.09 3.23 1.02 -0.66 -4.52 120.64 110.57 3mbj n GLU 74 Ca 0.03 0.65 -0.41 0.00 -0.02 0.00 0.00 57.16 57.41 3mbj n GLU 74 Cb 0.23 -5.52 -0.02 0.00 -0.02 0.00 0.00 31.44 26.11 3mbj n GLU 74 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3mbj s VAL 75 N -3.19 2.78 -0.21 2.62 0.11 -1.09 0.34 120.40 121.76 3mbj s VAL 75 Ca 0.54 0.70 -0.07 0.00 -2.93 0.00 0.00 61.98 60.21 3mbj s VAL 75 Cb -0.26 -3.44 -0.03 0.00 -1.53 0.00 0.00 36.38 31.11 3mbj s VAL 75 CO 0.66 0.13 0.05 -1.10 -3.33 0.00 0.00 175.10 171.51 3mbj s GLN 76 N -0.84 3.77 -0.19 1.54 -0.21 -1.26 -4.84 119.66 117.64 3mbj s GLN 76 Ca 0.55 -0.44 -0.11 0.00 0.02 0.00 0.00 55.36 55.39 3mbj s GLN 76 Cb -0.40 -3.22 -0.05 0.00 1.00 0.00 0.00 33.01 30.34 3mbj s GLN 76 CO 0.46 0.05 0.17 -0.06 -2.12 0.00 0.00 175.29 173.79 3mbj s PHE 77 N 0.97 3.43 -0.28 0.91 0.08 -1.26 -4.69 117.98 117.13 3mbj s PHE 77 Ca 0.03 0.41 0.20 0.00 0.12 0.00 0.00 56.93 57.69 3mbj s PHE 77 Cb -0.14 -2.20 0.14 0.00 -0.57 0.00 0.00 43.02 40.25 3mbj s PHE 77 CO 0.03 0.30 1.35 -0.44 -0.10 0.00 0.00 175.22 176.35 3mbj h ASP 78 N 6.60 0.00 -5.07 1.36 3.32 -0.74 -3.44 116.42 118.45 3mbj h ASP 78 Ca -0.42 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.56 3mbj h ASP 78 Cb 1.16 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.55 3mbj h ASP 78 CO 0.75 0.20 -0.18 0.00 -1.72 0.00 0.00 179.24 178.29 3mbj s ALA 79 N -3.15 -0.78 -0.08 3.45 0.00 -0.92 -1.65 121.76 118.62 3mbj s ALA 79 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.01 3mbj s ALA 79 Cb 0.07 0.43 0.02 0.00 0.00 0.00 0.00 23.12 23.64 3mbj s ALA 79 CO 0.73 -0.49 -0.07 0.42 0.00 0.00 0.00 175.76 176.35 3mbj s ILE 80 N -2.96 0.85 -0.19 0.00 1.01 -0.20 -1.78 121.20 117.92 3mbj s ILE 80 Ca -0.02 -0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.40 3mbj s ILE 80 Cb 0.00 -0.87 0.04 0.00 0.01 0.00 0.00 42.46 41.65 3mbj s ILE 80 CO -0.06 0.32 -0.11 -0.47 0.00 0.00 0.00 174.94 174.62 3mbj s TYR 81 N 1.33 2.39 -0.08 3.97 5.04 0.23 -0.28 117.35 129.94 3mbj s TYR 81 Ca -0.03 -1.53 -0.04 0.00 -2.44 0.00 0.00 57.07 53.03 3mbj s TYR 81 Cb -0.14 -1.64 -0.04 0.00 0.35 0.00 0.00 41.96 40.49 3mbj s TYR 81 CO -0.03 -0.73 0.10 0.95 -1.34 0.00 0.00 175.55 174.50 3mbj s THR 82 N 1.41 5.10 0.00 4.34 -4.23 0.02 -1.07 115.64 121.21 3mbj s THR 82 Ca 0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.48 3mbj s THR 82 Cb -0.15 -3.24 0.00 0.00 1.34 0.00 0.00 72.50 70.44 3mbj s THR 82 CO -0.09 0.54 0.00 0.61 -0.54 0.00 0.00 174.62 175.15 3mbj n GLY 83 N 1.78 1.87 3.67 3.99 0.00 -0.31 -1.31 105.19 114.89 3mbj n GLY 83 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 3mbj n GLY 83 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3mbj s TYR 84 N 3.79 2.32 -0.09 1.61 5.04 -1.26 -4.52 117.35 124.24 3mbj s TYR 84 Ca 0.00 0.47 0.01 0.00 -2.44 0.00 0.00 57.07 55.11 3mbj s TYR 84 Cb 0.00 -3.79 -0.02 0.00 0.35 0.00 0.00 41.96 38.50 3mbj s TYR 84 CO 0.00 -3.16 -0.12 -0.51 -1.34 0.00 0.00 175.55 170.42 3mbj s LEU 85 N 3.60 2.84 0.23 6.97 1.43 -1.26 -4.67 118.68 127.82 3mbj s LEU 85 Ca 0.68 -0.21 0.26 0.00 -1.03 0.00 0.00 54.13 53.82 3mbj s LEU 85 Cb -0.31 -1.62 0.80 0.00 0.03 0.00 0.00 46.19 45.09 3mbj s LEU 85 CO 0.26 0.26 1.76 1.23 0.23 0.00 0.00 176.35 180.09 3mbj h GLY 86 N 5.96 0.00 -2.80 -3.19 0.00 -1.94 -3.48 103.07 97.62 3mbj h GLY 86 Ca -0.38 0.00 0.18 0.00 0.00 0.00 0.00 47.33 47.13 3mbj h GLY 86 CO 0.54 0.00 0.55 -1.35 0.00 0.00 0.00 176.54 176.27 3mbj s SER 87 N -4.64 -0.22 0.41 0.19 1.04 -1.26 -5.00 113.70 104.22 3mbj s SER 87 Ca 0.10 -0.22 0.08 0.00 0.48 0.00 0.00 55.95 56.39 3mbj s SER 87 Cb 0.11 0.40 0.89 0.00 0.10 0.00 0.00 66.02 67.52 3mbj s SER 87 CO 0.58 -0.70 2.04 -0.65 0.98 0.00 0.00 173.24 175.49 3mbj h PRO 88 N 2.00 0.52 -0.48 4.02 0.11 -1.92 -2.17 132.00 134.08 3mbj h PRO 88 Ca -0.23 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.83 3mbj h PRO 88 Cb 1.23 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3mbj h PRO 88 CO 0.27 0.35 0.23 -0.09 -0.21 0.00 0.00 178.00 178.55 3mbj h ARG 89 N 0.54 0.69 -0.81 1.05 9.65 -2.00 -1.27 114.38 122.24 3mbj h ARG 89 Ca 0.19 -0.10 -0.03 0.00 -1.10 0.00 0.00 59.98 58.93 3mbj h ARG 89 Cb 0.08 -0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 28.50 3mbj h ARG 89 CO -0.05 0.58 0.37 1.96 2.80 0.00 0.00 179.97 185.63 3mbj h GLN 90 N 0.63 1.17 -0.86 0.20 4.20 -1.84 -1.12 115.11 117.49 3mbj h GLN 90 Ca 0.16 -0.18 0.07 0.00 0.06 0.00 0.00 58.65 58.76 3mbj h GLN 90 Cb 0.12 -0.21 -0.06 0.00 0.30 0.00 0.00 27.48 27.63 3mbj h GLN 90 CO -0.02 0.92 0.56 0.82 -0.67 0.00 0.00 178.83 180.44 3mbj h ILE 91 N 1.15 1.05 -0.30 2.54 2.04 -1.07 -0.34 117.51 122.58 3mbj h ILE 91 Ca 0.27 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 3mbj h ILE 91 Cb 0.14 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.22 3mbj h ILE 91 CO -0.03 0.18 0.05 -0.61 0.00 0.00 0.00 178.15 177.74 3mbj h GLN 92 N 0.96 0.50 -0.08 2.37 4.15 -0.04 0.20 115.11 123.17 3mbj h GLN 92 Ca 0.37 -0.13 -0.00 0.00 0.77 0.00 0.00 58.65 59.66 3mbj h GLN 92 Cb 0.22 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.85 3mbj h GLN 92 CO -0.14 0.59 0.05 0.82 -1.93 0.00 0.00 178.83 178.22 3mbj h ILE 93 N 0.32 1.06 -0.39 2.39 2.04 -0.96 0.05 117.51 122.03 3mbj h ILE 93 Ca 0.09 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 3mbj h ILE 93 Cb 0.33 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 3mbj h ILE 93 CO 0.01 0.05 0.07 0.58 0.00 0.00 0.00 178.15 178.86 3mbj h VAL 94 N 0.06 1.24 -0.40 1.67 2.07 -0.92 0.10 116.25 120.07 3mbj h VAL 94 Ca 0.03 -0.83 0.03 0.00 0.82 0.00 0.00 66.70 66.74 3mbj h VAL 94 Cb 0.05 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 3mbj h VAL 94 CO -0.01 0.29 0.21 -1.28 0.02 0.00 0.00 177.57 176.80 3mbj h SER 95 N 0.48 0.31 -0.39 0.57 0.87 -0.46 0.80 113.55 115.73 3mbj h SER 95 Ca 0.12 0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.63 3mbj h SER 95 Cb 0.35 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 3mbj h SER 95 CO 0.01 0.22 0.02 0.44 -0.53 0.00 0.00 176.83 176.99 3mbj h ASP 96 N 0.42 0.73 -0.26 6.23 3.32 -0.68 -2.09 116.42 124.09 3mbj h ASP 96 Ca 0.17 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3mbj h ASP 96 Cb 0.07 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3mbj h ASP 96 CO -0.11 0.78 0.15 0.15 -1.72 0.00 0.00 179.24 178.49 3mbj h PHE 97 N 0.72 0.34 -0.30 4.55 3.57 -0.04 -1.51 116.94 124.28 3mbj h PHE 97 Ca 0.14 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3mbj h PHE 97 Cb 0.41 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 3mbj h PHE 97 CO 0.02 0.28 0.20 0.82 -2.23 0.00 0.00 178.31 177.40 3mbj h ILE 98 N 0.31 1.08 -0.40 1.41 2.04 -0.78 -0.66 117.51 120.51 3mbj h ILE 98 Ca 0.09 -0.15 0.07 0.00 1.00 0.00 0.00 64.86 65.87 3mbj h ILE 98 Cb 0.05 0.65 -0.06 0.00 -0.74 0.00 0.00 36.82 36.71 3mbj h ILE 98 CO -0.02 0.08 0.04 0.50 0.00 0.00 0.00 178.15 178.75 3mbj h LYS 99 N 0.40 0.15 0.00 2.37 3.64 -1.24 -0.28 116.57 121.61 3mbj h LYS 99 Ca 0.11 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.33 3mbj h LYS 99 Cb -0.04 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 3mbj h LYS 99 CO -0.02 0.10 -0.73 -0.44 -2.27 0.00 0.00 179.45 176.08 3mbj h ASP 100 N 0.15 0.00 -0.01 4.20 3.32 -0.87 -3.34 116.42 119.87 3mbj h ASP 100 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3mbj h ASP 100 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3mbj h ASP 100 CO -0.30 0.73 -0.38 0.49 -1.72 0.00 0.00 179.24 178.07 3mbj n PHE 101 N -3.63 0.00 -2.20 4.55 3.01 -0.29 -5.00 117.46 113.90 3mbj n PHE 101 Ca -0.01 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.09 3mbj n PHE 101 Cb 0.72 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 40.19 3mbj n PHE 101 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 3mbj s ARG 102 N -1.90 3.59 0.29 -1.08 1.70 -0.14 -4.62 118.95 116.79 3mbj s ARG 102 Ca 0.11 1.79 0.03 0.00 -0.47 0.00 0.00 55.73 57.19 3mbj s ARG 102 Cb 0.12 -2.30 -0.06 0.00 -0.57 0.00 0.00 34.95 32.14 3mbj s ARG 102 CO 0.42 -0.70 0.07 -0.65 -1.08 0.00 0.00 175.30 173.36 3mbj s GLN 103 N -2.85 1.52 0.50 3.89 -0.21 -1.26 -5.00 119.66 116.24 3mbj s GLN 103 Ca 0.67 -1.83 0.20 0.00 0.02 0.00 0.00 55.36 54.41 3mbj s GLN 103 Cb -0.29 -0.56 1.25 0.00 1.00 0.00 0.00 33.01 34.41 3mbj s GLN 103 CO 0.34 -0.24 2.01 -1.35 -2.12 0.00 0.00 175.29 173.94 3mbj h PRO 104 N 2.26 0.14 -0.03 2.91 0.11 -1.99 -1.85 132.00 133.55 3mbj h PRO 104 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3mbj h PRO 104 Cb 1.24 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3mbj h PRO 104 CO 0.65 0.09 -0.06 -0.25 -0.21 0.00 0.00 178.00 178.22 3mbj n ASP 105 N -4.43 2.60 -4.60 -2.05 8.00 -1.26 -4.99 116.55 109.81 3mbj n ASP 105 Ca 0.08 -1.84 -0.46 0.00 0.71 0.00 0.00 54.79 53.28 3mbj n ASP 105 Cb 0.46 0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.59 3mbj n ASP 105 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3mbj n SER 106 N 0.95 1.65 -4.62 -2.24 7.64 -0.70 -4.95 113.62 111.36 3mbj n SER 106 Ca 0.14 1.16 -0.38 0.00 1.01 0.00 0.00 58.87 60.80 3mbj n SER 106 Cb 0.54 -1.29 -0.10 0.00 -1.01 0.00 0.00 64.21 62.35 3mbj n SER 106 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3mbj s LEU 107 N 0.43 4.06 -0.27 -3.43 2.96 -0.66 -4.93 118.68 116.84 3mbj s LEU 107 Ca 0.67 0.09 -0.06 0.00 -0.22 0.00 0.00 54.13 54.61 3mbj s LEU 107 Cb -0.75 -2.17 0.00 0.00 0.50 0.00 0.00 46.19 43.77 3mbj s LEU 107 CO 0.55 -0.03 0.04 -0.63 -1.32 0.00 0.00 176.35 174.95 3mbj s ILE 108 N 1.57 3.79 -0.16 6.68 -1.09 -1.26 -1.04 121.20 129.70 3mbj s ILE 108 Ca 0.09 -0.61 0.01 0.00 -2.23 0.00 0.00 60.65 57.91 3mbj s ILE 108 Cb -0.15 -2.88 0.01 0.00 -1.58 0.00 0.00 42.46 37.85 3mbj s ILE 108 CO 0.09 0.20 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.12 3mbj s VAL 109 N 1.50 2.27 -0.14 2.92 1.01 0.61 -0.69 120.40 127.88 3mbj s VAL 109 Ca 0.04 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.13 3mbj s VAL 109 Cb -0.16 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.30 3mbj s VAL 109 CO 0.01 0.53 -0.17 0.00 0.00 0.00 0.00 175.10 175.47 3mbj s ALA 110 N 0.95 1.96 -0.42 5.51 0.00 -0.46 -0.80 121.76 128.49 3mbj s ALA 110 Ca -0.03 -0.95 -0.22 0.00 0.00 0.00 0.00 51.96 50.76 3mbj s ALA 110 Cb -0.15 -1.02 0.02 0.00 0.00 0.00 0.00 23.12 21.98 3mbj s ALA 110 CO -0.04 -0.25 0.71 0.34 0.00 0.00 0.00 175.76 176.52 3mbj s ASP 111 N 1.23 6.39 -1.32 0.00 -1.08 -0.42 -2.87 116.67 118.60 3mbj s ASP 111 Ca 0.00 -0.12 -0.12 0.00 -0.52 0.00 0.00 52.55 51.79 3mbj s ASP 111 Cb -0.14 -2.35 0.13 0.00 -1.46 0.00 0.00 42.92 39.10 3mbj s ASP 111 CO -0.08 -0.80 1.91 -0.81 0.52 0.00 0.00 175.17 175.92 3mbj n PRO 112 N 6.42 3.35 -1.97 4.34 -0.04 -1.26 -4.54 135.00 141.30 3mbj n PRO 112 Ca 0.00 -3.29 -0.43 0.00 -0.04 0.00 0.00 63.50 59.75 3mbj n PRO 112 Cb 0.48 -3.08 -0.03 0.00 -0.04 0.00 0.00 33.50 30.83 3mbj n PRO 112 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3mbj s VAL 113 N 1.57 3.45 0.00 0.52 1.01 -1.26 -4.74 120.40 120.95 3mbj s VAL 113 Ca 0.43 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.88 3mbj s VAL 113 Cb 0.09 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.91 3mbj s VAL 113 CO -0.02 -0.33 0.00 0.18 0.00 0.00 0.00 175.10 174.93 3mbj n LEU 114 N 9.99 0.20 0.00 3.92 4.77 -1.26 -4.72 117.00 129.90 3mbj n LEU 114 Ca 0.23 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 3mbj n LEU 114 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3mbj n LEU 114 CO 0.67 0.03 0.14 0.61 -1.33 0.00 0.00 177.39 177.51 3mbj n GLY 115 N 1.28 0.60 3.61 -0.72 0.00 -1.26 -0.81 105.19 107.89 3mbj n GLY 115 Ca 0.00 -0.86 -0.05 0.00 0.00 0.00 0.00 46.02 45.11 3mbj n GLY 115 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3mbj s ASP 116 N -1.35 -0.23 -1.04 1.61 -1.08 -0.65 -4.66 116.67 109.27 3mbj s ASP 116 Ca 0.04 -0.15 -0.10 0.00 -0.52 0.00 0.00 52.55 51.82 3mbj s ASP 116 Cb -0.00 0.35 0.09 0.00 -1.46 0.00 0.00 42.92 41.90 3mbj s ASP 116 CO -0.00 -0.61 0.34 0.59 0.52 0.00 0.00 175.17 176.02 3mbj n ASN 117 N -0.33 -2.31 0.00 -0.34 5.03 -1.26 -1.34 115.26 114.72 3mbj n ASN 117 Ca -0.06 -0.33 0.00 0.00 0.87 0.00 0.00 54.58 55.06 3mbj n ASN 117 Cb 0.61 -1.99 0.00 0.00 -1.02 0.00 0.00 39.78 37.38 3mbj n ASN 117 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3mbj n GLY 118 N -0.91 1.27 3.45 7.41 0.00 -1.26 -5.03 105.19 110.12 3mbj n GLY 118 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 3mbj n GLY 118 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3mbj s ARG 119 N -0.10 1.62 0.50 1.61 1.70 -0.45 -4.98 118.95 118.86 3mbj s ARG 119 Ca 0.00 -1.50 -0.21 0.00 -0.47 0.00 0.00 55.73 53.55 3mbj s ARG 119 Cb 0.00 -1.89 -0.07 0.00 -0.57 0.00 0.00 34.95 32.42 3mbj s ARG 119 CO 0.00 0.40 1.11 -0.51 -1.08 0.00 0.00 175.30 175.22 3mbj s LEU 120 N -2.76 3.85 0.57 -1.89 1.43 -1.26 -1.64 118.68 116.97 3mbj s LEU 120 Ca 0.22 2.13 -0.21 0.00 -1.03 0.00 0.00 54.13 55.25 3mbj s LEU 120 Cb -0.08 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.61 3mbj s LEU 120 CO 0.11 -1.01 1.29 -1.22 0.23 0.00 0.00 176.35 175.75 3mbj n TYR 121 N -0.98 2.02 0.13 0.29 4.01 0.01 -4.85 117.16 117.78 3mbj n TYR 121 Ca 0.10 0.43 -0.01 0.00 -0.16 0.00 0.00 57.90 58.26 3mbj n TYR 121 Cb 0.51 -2.31 0.11 0.00 -0.31 0.00 0.00 39.34 37.33 3mbj n TYR 121 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3mbj h THR 122 N 1.15 1.35 -1.45 -0.72 1.03 -1.95 -0.93 112.91 111.39 3mbj h THR 122 Ca -0.50 -2.36 0.44 0.00 -0.01 0.00 0.00 66.41 63.98 3mbj h THR 122 Cb 1.32 2.31 -0.10 0.00 -1.07 0.00 0.00 68.15 70.61 3mbj h THR 122 CO 0.56 0.65 0.99 0.78 -0.01 0.00 0.00 175.52 178.48 3mbj h ASN 123 N 0.00 0.16 -1.85 0.00 -0.26 -1.98 -3.46 115.58 108.19 3mbj h ASN 123 Ca -0.01 0.07 -0.56 0.00 -0.56 0.00 0.00 56.30 55.25 3mbj h ASN 123 Cb 1.26 0.06 -0.09 0.00 -1.06 0.00 0.00 38.32 38.50 3mbj h ASN 123 CO 0.09 -0.08 -0.55 -0.36 -1.06 0.00 0.00 177.43 175.46 3mbj s PHE 124 N -5.14 2.65 0.00 1.19 0.08 -0.36 -5.13 117.98 111.26 3mbj s PHE 124 Ca -0.07 -0.43 0.00 0.00 0.12 0.00 0.00 56.93 56.56 3mbj s PHE 124 Cb 0.28 -1.65 0.00 0.00 -0.57 0.00 0.00 43.02 41.08 3mbj s PHE 124 CO 0.84 0.35 0.00 -0.40 -0.10 0.00 0.00 175.22 175.91 3mbj n ASP 125 N -1.11 0.00 -1.83 1.36 5.68 -1.26 -4.85 116.55 114.53 3mbj n ASP 125 Ca -0.03 0.00 -0.03 0.00 -0.50 0.00 0.00 54.79 54.23 3mbj n ASP 125 Cb 0.62 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.60 3mbj n ASP 125 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3mbj n GLU 127 N 0.00 -2.00 0.00 0.11 -0.58 -1.26 -4.77 120.64 112.14 3mbj n GLU 127 Ca 0.00 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 3mbj n GLU 127 Cb 0.00 -2.60 0.00 0.00 -0.57 0.00 0.00 31.44 28.27 3mbj n GLU 127 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3mbj n VAL 129 N -1.56 0.00 -0.24 2.62 0.31 -1.26 -1.47 118.33 116.73 3mbj n VAL 129 Ca 0.01 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.28 3mbj n VAL 129 Cb 0.28 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 33.26 3mbj n VAL 129 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3mbj h LYS 130 N 0.00 0.89 -1.62 5.55 3.64 -1.94 -1.30 116.57 121.78 3mbj h LYS 130 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3mbj h LYS 130 Cb 0.00 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 3mbj h LYS 130 CO 0.00 0.61 0.00 0.39 -2.27 0.00 0.00 179.45 178.18 3mbj n GLU 131 N -4.60 0.63 0.00 1.90 -0.58 -0.54 -2.07 120.64 115.38 3mbj n GLU 131 Ca 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 3mbj n GLU 131 Cb 0.03 -1.18 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 3mbj n GLU 131 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 3mbj n ARG 133 N 1.09 0.00 -0.24 3.49 0.63 -0.49 -1.14 116.66 120.00 3mbj n ARG 133 Ca 0.00 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.86 3mbj n ARG 133 Cb 0.32 0.00 0.05 0.00 0.45 0.00 0.00 32.46 33.28 3mbj n ARG 133 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3mbj h HIS 134 N 0.00 1.17 -0.44 -0.14 3.86 -1.69 -3.22 115.15 114.69 3mbj h HIS 134 Ca 0.00 -0.16 -0.04 0.00 -1.16 0.00 0.00 60.37 59.01 3mbj h HIS 134 Cb 0.00 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.13 3mbj h HIS 134 CO 0.00 0.98 0.11 1.25 0.86 0.00 0.00 177.93 181.13 3mbj h LEU 135 N 1.04 0.66 -1.52 2.43 5.85 -1.42 -3.13 115.31 119.22 3mbj h LEU 135 Ca 0.21 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3mbj h LEU 135 Cb 0.43 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3mbj h LEU 135 CO 0.01 0.72 0.00 0.16 -0.34 0.00 0.00 178.44 178.99 3mbj h ILE 136 N 0.58 0.00 -0.39 4.05 3.07 -1.84 -1.12 117.51 121.86 3mbj h ILE 136 Ca 0.14 -0.33 0.11 0.00 1.55 0.00 0.00 64.86 66.33 3mbj h ILE 136 Cb 0.31 1.23 -0.02 0.00 -0.27 0.00 0.00 36.82 38.07 3mbj h ILE 136 CO 0.00 0.00 0.28 0.71 -1.05 0.00 0.00 178.15 178.09 3mbj h THR 137 N 0.00 0.81 -0.37 0.16 1.35 -1.56 -1.77 112.91 111.53 3mbj h THR 137 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 3mbj h THR 137 Cb 0.36 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 3mbj h THR 137 CO 0.00 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.56 3mbj n LYS 138 N -4.42 2.06 -3.87 4.72 5.02 -0.42 -4.58 118.16 116.66 3mbj n LYS 138 Ca 0.06 -1.62 -0.31 0.00 -2.02 0.00 0.00 58.31 54.42 3mbj n LYS 138 Cb 0.46 -1.40 -0.04 0.00 -0.02 0.00 0.00 35.03 34.03 3mbj n LYS 138 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mbj s ALA 139 N -1.51 3.97 -0.09 7.82 0.00 -0.66 -4.88 121.76 126.40 3mbj s ALA 139 Ca 0.33 -0.79 0.04 0.00 0.00 0.00 0.00 51.96 51.54 3mbj s ALA 139 Cb 0.18 -1.88 -0.24 0.00 0.00 0.00 0.00 23.12 21.17 3mbj s ALA 139 CO 0.25 0.80 0.48 -0.25 0.00 0.00 0.00 175.76 177.03 3mbj n ASP 140 N 0.24 1.41 -3.84 0.00 8.00 0.13 -3.56 116.55 118.92 3mbj n ASP 140 Ca -0.05 0.29 -0.21 0.00 0.71 0.00 0.00 54.79 55.54 3mbj n ASP 140 Cb 0.51 -0.37 -0.17 0.00 -0.02 0.00 0.00 41.12 41.08 3mbj n ASP 140 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3mbj s VAL 141 N -2.57 0.44 0.14 2.53 1.01 -0.76 -1.29 120.40 119.91 3mbj s VAL 141 Ca -0.13 -0.02 0.09 0.00 0.00 0.00 0.00 61.98 61.92 3mbj s VAL 141 Cb 0.07 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 3mbj s VAL 141 CO 0.79 0.23 -0.22 0.27 0.00 0.00 0.00 175.10 176.17 3mbj s ILE 142 N 1.29 1.97 -0.46 2.22 -4.36 -0.84 -1.36 121.20 119.66 3mbj s ILE 142 Ca -0.05 -1.79 0.09 0.00 -0.26 0.00 0.00 60.65 58.63 3mbj s ILE 142 Cb -0.13 -1.84 0.35 0.00 1.25 0.00 0.00 42.46 42.08 3mbj s ILE 142 CO -0.02 -0.12 0.83 0.35 0.24 0.00 0.00 174.94 176.22 3mbj n THR 143 N 0.65 1.31 -2.10 8.37 -2.24 -1.14 -0.78 114.28 118.34 3mbj n THR 143 Ca -0.16 -5.03 -0.37 0.00 -2.27 0.00 0.00 64.05 56.22 3mbj n THR 143 Cb 0.55 -0.77 0.01 0.00 -2.10 0.00 0.00 70.33 68.02 3mbj n THR 143 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3mbj s PRO 144 N -2.91 3.47 0.93 -0.78 0.04 -0.92 -4.56 135.00 130.26 3mbj s PRO 144 Ca 0.44 1.89 -0.14 0.00 0.04 0.00 0.00 61.00 63.24 3mbj s PRO 144 Cb 0.32 -2.28 0.15 0.00 0.04 0.00 0.00 34.50 32.73 3mbj s PRO 144 CO -0.11 -0.82 1.18 0.54 0.04 0.00 0.00 177.00 177.83 3mbj s ASN 145 N -1.31 3.41 0.38 6.66 2.20 -1.26 -1.65 114.94 123.37 3mbj s ASN 145 Ca 0.68 0.75 0.10 0.00 -0.94 0.00 0.00 52.86 53.45 3mbj s ASN 145 Cb -0.32 -1.17 0.86 0.00 -2.00 0.00 0.00 41.25 38.62 3mbj s ASN 145 CO 0.37 -2.59 1.92 0.25 -2.94 0.00 0.00 177.10 174.11 3mbj h LEU 146 N -1.53 0.57 -0.35 3.54 5.85 -1.70 0.26 115.31 121.95 3mbj h LEU 146 Ca -0.48 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 3mbj h LEU 146 Cb 1.31 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 3mbj h LEU 146 CO 0.56 0.33 0.10 0.74 -0.34 0.00 0.00 178.44 179.82 3mbj h THR 147 N 0.63 1.21 -0.49 1.05 2.02 -1.90 -2.99 112.91 112.45 3mbj h THR 147 Ca 0.37 -0.70 -0.10 0.00 0.77 0.00 0.00 66.41 66.75 3mbj h THR 147 Cb 0.57 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 3mbj h THR 147 CO -0.14 0.24 -0.09 -0.33 0.37 0.00 0.00 175.52 175.57 3mbj h GLU 148 N 0.40 0.87 -0.20 6.66 5.08 -1.63 -2.18 114.58 123.60 3mbj h GLU 148 Ca 0.11 -0.29 0.05 0.00 -1.00 0.00 0.00 59.36 58.23 3mbj h GLU 148 Cb 0.27 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.37 3mbj h GLU 148 CO -0.00 0.93 -0.44 1.25 -1.00 0.00 0.00 179.01 179.74 3mbj h LEU 149 N 0.79 -1.40 -0.41 1.33 5.85 -0.93 0.20 115.31 120.74 3mbj h LEU 149 Ca 0.13 0.19 -0.03 0.00 0.84 0.00 0.00 57.88 59.01 3mbj h LEU 149 Cb 0.59 0.58 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 3mbj h LEU 149 CO 0.04 -0.42 0.13 -0.26 -0.34 0.00 0.00 178.44 177.58 3mbj h PHE 150 N -0.47 0.67 -0.67 1.25 0.04 -1.37 -1.10 116.94 115.29 3mbj h PHE 150 Ca 0.08 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 3mbj h PHE 150 Cb 0.62 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.55 3mbj h PHE 150 CO -0.53 0.62 0.41 1.88 -0.60 0.00 0.00 178.31 180.08 3mbj h TYR 151 N 0.53 0.89 -0.23 -0.55 0.05 -1.31 0.96 116.97 117.30 3mbj h TYR 151 Ca 0.13 -0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.86 3mbj h TYR 151 Cb 0.26 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.70 3mbj h TYR 151 CO 0.01 0.60 -0.08 -0.07 -1.05 0.00 0.00 178.16 177.57 3mbj h LEU 152 N 0.92 0.35 0.00 3.88 3.38 -0.54 -1.24 115.31 122.05 3mbj h LEU 152 Ca 0.24 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3mbj h LEU 152 Cb -0.03 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3mbj h LEU 152 CO -0.05 0.47 -0.18 0.18 0.09 0.00 0.00 178.44 178.96 3mbj n LEU 153 N -4.27 0.32 -2.69 1.67 4.77 -0.45 -4.96 117.00 111.40 3mbj n LEU 153 Ca 0.00 0.37 -0.12 0.00 -0.03 0.00 0.00 56.01 56.23 3mbj n LEU 153 Cb 0.26 -0.38 0.06 0.00 -2.33 0.00 0.00 43.42 41.04 3mbj n LEU 153 CO 0.38 -0.01 0.08 -0.67 -1.33 0.00 0.00 177.39 175.85 3mbj n ASP 154 N -1.69 -2.26 -4.12 -1.43 2.03 0.23 -5.03 116.55 104.29 3mbj n ASP 154 Ca 0.06 -0.43 -0.20 0.00 0.52 0.00 0.00 54.79 54.75 3mbj n ASP 154 Cb 0.36 -3.71 -0.14 0.00 -0.72 0.00 0.00 41.12 36.92 3mbj n ASP 154 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3mbj s GLU 155 N -5.02 0.91 0.27 -0.67 0.41 -0.61 -5.03 118.70 108.96 3mbj s GLU 155 Ca 0.03 -0.69 -0.31 0.00 -0.41 0.00 0.00 54.97 53.60 3mbj s GLU 155 Cb -0.01 -0.90 -0.12 0.00 -1.78 0.00 0.00 34.13 31.32 3mbj s GLU 155 CO 0.51 0.23 1.58 -0.35 -0.49 0.00 0.00 175.26 176.74 3mbj n PRO 156 N 2.06 2.58 -1.68 0.39 -0.04 -1.26 -4.39 135.00 132.65 3mbj n PRO 156 Ca -0.17 0.92 -0.45 0.00 -0.04 0.00 0.00 63.50 63.76 3mbj n PRO 156 Cb 0.55 -2.69 -0.03 0.00 -0.04 0.00 0.00 33.50 31.29 3mbj n PRO 156 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 3mbj n TYR 157 N 2.41 2.35 -4.32 0.54 4.19 -1.26 -4.99 117.16 116.09 3mbj n TYR 157 Ca 0.10 0.31 -0.25 0.00 3.31 0.00 0.00 57.90 61.38 3mbj n TYR 157 Cb 0.35 -2.53 -0.17 0.00 0.49 0.00 0.00 39.34 37.49 3mbj n TYR 157 CO 0.00 0.00 0.00 -1.59 0.91 0.00 0.00 176.86 176.18 3mbj s LYS 158 N 0.19 1.51 0.13 2.98 0.00 -1.26 -5.06 119.74 118.23 3mbj s LYS 158 Ca 0.72 -0.32 0.18 0.00 0.00 0.00 0.00 55.97 56.56 3mbj s LYS 158 Cb -0.63 -1.37 -0.07 0.00 0.00 0.00 0.00 37.83 35.76 3mbj s LYS 158 CO 0.44 -0.08 0.96 0.00 0.00 0.00 0.00 175.35 176.67 3mbj h ALA 159 N 7.37 0.62 -3.60 0.59 0.00 -1.99 -3.42 119.26 118.83 3mbj h ALA 159 Ca -0.31 -0.57 -0.68 0.00 0.00 0.00 0.00 54.91 53.35 3mbj h ALA 159 Cb 1.17 0.17 -0.36 0.00 0.00 0.00 0.00 17.79 18.76 3mbj h ALA 159 CO 0.45 0.63 -0.71 0.34 0.00 0.00 0.00 179.25 179.96 3mbj s ASP 160 N -5.74 4.79 0.17 0.00 -1.08 -1.26 -4.73 116.67 108.82 3mbj s ASP 160 Ca -0.01 -1.60 0.09 0.00 -0.52 0.00 0.00 52.55 50.51 3mbj s ASP 160 Cb 0.09 -1.66 -0.04 0.00 -1.46 0.00 0.00 42.92 39.84 3mbj s ASP 160 CO 0.80 -0.30 -0.14 -0.44 0.52 0.00 0.00 175.17 175.60 3mbj s SER 161 N 1.22 4.02 0.95 -0.34 0.01 -1.26 -5.14 113.70 113.16 3mbj s SER 161 Ca -0.01 -0.64 -0.12 0.00 1.31 0.00 0.00 55.95 56.49 3mbj s SER 161 Cb -0.20 -0.59 0.16 0.00 0.21 0.00 0.00 66.02 65.60 3mbj s SER 161 CO -0.04 0.12 1.10 0.42 0.41 0.00 0.00 173.24 175.25 3mbj s THR 162 N -1.61 2.18 0.23 1.44 -4.23 -1.26 -4.85 115.64 107.55 3mbj s THR 162 Ca 0.23 0.06 -0.05 0.00 -1.18 0.00 0.00 61.69 60.75 3mbj s THR 162 Cb -0.09 -2.63 0.12 0.00 1.34 0.00 0.00 72.50 71.24 3mbj s THR 162 CO 0.13 -0.08 1.74 0.44 -0.54 0.00 0.00 174.62 176.32 3mbj h ASP 163 N -1.72 0.92 -0.61 3.99 5.19 -2.00 -1.78 116.42 120.41 3mbj h ASP 163 Ca -0.53 -0.21 -0.03 0.00 -0.62 0.00 0.00 57.03 55.65 3mbj h ASP 163 Cb 1.32 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 40.56 3mbj h ASP 163 CO 0.58 0.93 0.28 -0.33 -3.12 0.00 0.00 179.24 177.58 3mbj h GLU 164 N 0.91 0.92 -0.21 3.56 4.39 -1.99 0.53 114.58 122.70 3mbj h GLU 164 Ca 0.19 -0.13 -0.11 0.00 0.34 0.00 0.00 59.36 59.64 3mbj h GLU 164 Cb 0.40 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3mbj h GLU 164 CO 0.01 0.73 -0.29 0.93 -1.16 0.00 0.00 179.01 179.24 3mbj h GLU 165 N 0.91 0.57 -0.79 2.33 5.08 -1.88 -2.31 114.58 118.50 3mbj h GLU 165 Ca 0.22 -0.33 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3mbj h GLU 165 Cb 0.14 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 3mbj h GLU 165 CO -0.02 0.93 0.52 -0.07 -1.00 0.00 0.00 179.01 179.37 3mbj h LEU 166 N 0.25 0.89 -0.25 1.33 3.38 -0.99 -0.43 115.31 119.49 3mbj h LEU 166 Ca 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mbj h LEU 166 Cb 0.86 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3mbj h LEU 166 CO 0.07 0.64 0.16 0.11 0.09 0.00 0.00 178.44 179.51 3mbj h LYS 167 N 1.05 0.34 -0.45 1.13 1.57 -0.76 -0.24 116.57 119.21 3mbj h LYS 167 Ca 0.29 -0.03 0.08 0.00 -1.87 0.00 0.00 60.65 59.13 3mbj h LYS 167 Cb -0.09 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.08 3mbj h LYS 167 CO -0.07 0.25 0.06 0.93 -0.57 0.00 0.00 179.45 180.05 3mbj h GLU 168 N 0.33 0.18 -0.49 3.15 4.39 -0.84 -1.06 114.58 120.24 3mbj h GLU 168 Ca 0.09 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.78 3mbj h GLU 168 Cb -0.01 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 3mbj h GLU 168 CO -0.02 0.12 0.31 1.88 -1.16 0.00 0.00 179.01 180.13 3mbj h TYR 169 N 0.18 0.63 -0.58 4.33 0.05 -0.74 -0.59 116.97 120.25 3mbj h TYR 169 Ca 0.22 0.01 0.03 0.00 0.05 0.00 0.00 58.73 59.04 3mbj h TYR 169 Cb 0.30 -0.21 -0.04 0.00 1.01 0.00 0.00 36.73 37.79 3mbj h TYR 169 CO -0.24 0.42 0.34 -0.07 -1.05 0.00 0.00 178.16 177.56 3mbj h LEU 170 N 0.65 0.54 -0.16 3.88 3.38 -0.60 -1.52 115.31 121.48 3mbj h LEU 170 Ca 0.18 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 3mbj h LEU 170 Cb -0.04 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3mbj h LEU 170 CO -0.04 0.37 -0.04 -0.09 0.09 0.00 0.00 178.44 178.74 3mbj h ARG 171 N 0.66 0.31 -0.93 1.13 9.65 -0.85 -0.91 114.38 123.44 3mbj h ARG 171 Ca 0.24 -0.12 0.05 0.00 -1.10 0.00 0.00 59.98 59.06 3mbj h ARG 171 Cb 0.06 -0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 28.56 3mbj h ARG 171 CO -0.12 0.58 0.59 -0.07 2.80 0.00 0.00 179.97 183.76 3mbj h LEU 172 N 0.02 0.96 -0.45 3.80 3.38 -0.97 -1.09 115.31 120.96 3mbj h LEU 172 Ca 0.04 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 3mbj h LEU 172 Cb 0.47 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3mbj h LEU 172 CO 0.02 0.63 -0.63 0.25 0.09 0.00 0.00 178.44 178.79 3mbj h LEU 173 N 1.10 0.60 -1.50 1.67 5.85 -1.13 -2.84 115.31 119.06 3mbj h LEU 173 Ca 0.39 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 3mbj h LEU 173 Cb 0.11 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3mbj h LEU 173 CO -0.16 1.08 -0.10 -1.28 -0.34 0.00 0.00 178.44 177.65 3mbj h SER 174 N 0.38 0.19 0.43 1.25 0.87 -0.80 -2.07 113.55 113.81 3mbj h SER 174 Ca -0.01 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 3mbj h SER 174 Cb 1.19 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 63.10 3mbj h SER 174 CO 0.12 0.32 -0.00 0.44 -0.53 0.00 0.00 176.83 177.17 3mbj h ASP 175 N 0.20 0.00 0.00 6.23 3.32 -0.95 -2.23 116.42 122.99 3mbj h ASP 175 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3mbj h ASP 175 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3mbj h ASP 175 CO 0.02 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.83 3mbj n LYS 176 N -3.10 0.92 0.00 3.56 5.02 -0.78 -4.90 118.16 118.89 3mbj n LYS 176 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 3mbj n LYS 176 Cb 0.17 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 3mbj n LYS 176 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mbj n GLY 177 N 0.82 1.82 3.67 0.72 0.00 -0.84 -3.97 105.19 107.41 3mbj n GLY 177 Ca 0.21 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3mbj n GLY 177 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3mbj s PRO 178 N 0.00 4.15 0.24 1.61 0.02 -1.23 -4.91 135.00 134.88 3mbj s PRO 178 Ca 0.00 2.54 -0.05 0.00 0.02 0.00 0.00 61.00 63.51 3mbj s PRO 178 Cb 0.00 -3.95 0.38 0.00 0.02 0.00 0.00 34.50 30.95 3mbj s PRO 178 CO 0.00 -0.90 1.81 0.37 -0.33 0.00 0.00 177.00 177.96 3mbj h GLN 179 N 9.78 0.78 -5.17 5.54 4.15 -1.68 -3.41 115.11 125.10 3mbj h GLN 179 Ca -0.47 -0.05 -0.67 0.00 0.77 0.00 0.00 58.65 58.24 3mbj h GLN 179 Cb 1.22 -0.18 -0.32 0.00 0.21 0.00 0.00 27.48 28.42 3mbj h GLN 179 CO 0.94 0.52 -0.83 0.08 -1.93 0.00 0.00 178.83 177.61 3mbj s VAL 180 N -6.04 2.41 -0.14 2.39 1.01 -0.41 -0.54 120.40 119.09 3mbj s VAL 180 Ca -0.12 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.02 3mbj s VAL 180 Cb 0.19 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.57 3mbj s VAL 180 CO 0.78 0.53 -0.19 -0.69 0.00 0.00 0.00 175.10 175.52 3mbj s VAL 181 N 0.89 2.36 -0.18 2.92 1.01 -0.83 -1.98 120.40 124.58 3mbj s VAL 181 Ca -0.04 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.05 3mbj s VAL 181 Cb -0.15 -1.96 0.01 0.00 0.00 0.00 0.00 36.38 34.29 3mbj s VAL 181 CO -0.02 0.54 -0.18 -0.63 0.00 0.00 0.00 175.10 174.81 3mbj s ILE 182 N 0.67 2.28 -0.24 2.22 1.01 0.04 -1.27 121.20 125.91 3mbj s ILE 182 Ca -0.09 -0.87 -0.11 0.00 0.00 0.00 0.00 60.65 59.58 3mbj s ILE 182 Cb -0.16 -1.97 -0.05 0.00 0.01 0.00 0.00 42.46 40.29 3mbj s ILE 182 CO 0.02 0.52 0.18 -0.63 0.00 0.00 0.00 174.94 175.03 3mbj s ILE 183 N 1.27 5.34 0.32 2.92 1.01 0.16 -2.17 121.20 130.05 3mbj s ILE 183 Ca 0.04 0.23 0.07 0.00 0.00 0.00 0.00 60.65 60.98 3mbj s ILE 183 Cb -0.13 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 3mbj s ILE 183 CO -0.10 0.34 0.40 0.42 0.00 0.00 0.00 174.94 175.99 3mbj s THR 184 N 1.09 4.08 -1.19 2.92 -4.23 -0.66 -1.45 115.64 116.20 3mbj s THR 184 Ca 0.09 -1.11 -0.05 0.00 -1.18 0.00 0.00 61.69 59.43 3mbj s THR 184 Cb -0.14 -3.40 -0.02 0.00 1.34 0.00 0.00 72.50 70.29 3mbj s THR 184 CO 0.05 -0.19 0.83 -1.20 -0.54 0.00 0.00 174.62 173.57 3mbj n SER 185 N -1.53 -3.47 -4.48 3.99 7.64 -1.19 -2.48 113.62 112.10 3mbj n SER 185 Ca -0.02 -0.79 -0.38 0.00 1.01 0.00 0.00 58.87 58.70 3mbj n SER 185 Cb 0.58 -4.44 -0.12 0.00 -1.01 0.00 0.00 64.21 59.22 3mbj n SER 185 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3mbj s VAL 186 N -3.50 4.70 0.79 0.44 1.01 -0.44 -4.45 120.40 118.94 3mbj s VAL 186 Ca 0.20 -0.20 -0.14 0.00 0.00 0.00 0.00 61.98 61.84 3mbj s VAL 186 Cb -0.05 -3.30 0.06 0.00 0.00 0.00 0.00 36.38 33.09 3mbj s VAL 186 CO 0.79 0.19 1.10 -0.81 0.00 0.00 0.00 175.10 176.37 3mbj n PRO 187 N 4.99 0.29 0.00 2.72 -0.04 -1.26 -1.58 135.00 140.12 3mbj n PRO 187 Ca -0.15 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 3mbj n PRO 187 Cb 0.51 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 3mbj n PRO 187 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3mbj n VAL 188 N -3.04 0.00 -2.63 0.52 0.31 -1.25 -4.79 118.33 107.45 3mbj n VAL 188 Ca 0.13 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.43 3mbj n VAL 188 Cb 0.50 -0.01 0.04 0.00 -0.91 0.00 0.00 33.84 33.47 3mbj n VAL 188 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mbj n HIS 189 N 0.00 -1.02 0.00 3.52 1.44 -1.26 -5.12 115.22 112.78 3mbj n HIS 189 Ca 0.00 -0.97 0.00 0.00 -2.01 0.00 0.00 57.72 54.74 3mbj n HIS 189 Cb 0.00 1.18 0.00 0.00 0.12 0.00 0.00 29.99 31.29 3mbj n HIS 189 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 3mbj n HIS 193 N -0.61 0.00 -3.88 -1.40 1.44 -1.26 -5.13 115.22 104.37 3mbj n HIS 193 Ca -0.14 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.46 3mbj n HIS 193 Cb 0.70 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.69 3mbj n HIS 193 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 3mbj s LYS 194 N -0.01 0.23 0.26 -1.40 2.47 -1.26 -1.34 119.74 118.69 3mbj s LYS 194 Ca 0.00 -0.17 0.03 0.00 -1.56 0.00 0.00 55.97 54.26 3mbj s LYS 194 Cb 0.00 0.10 -0.05 0.00 -1.46 0.00 0.00 37.83 36.41 3mbj s LYS 194 CO 0.00 -0.04 0.05 -0.08 0.16 0.00 0.00 175.35 175.44 3mbj s THR 195 N -0.63 0.87 -0.04 3.43 -1.32 0.25 -3.91 115.64 114.29 3mbj s THR 195 Ca -0.07 -2.01 -0.06 0.00 -1.21 0.00 0.00 61.69 58.34 3mbj s THR 195 Cb -0.04 -2.55 0.01 0.00 -1.51 0.00 0.00 72.50 68.40 3mbj s THR 195 CO 0.00 -0.13 0.15 -0.44 -2.21 0.00 0.00 174.62 171.99 3mbj s SER 196 N -3.35 -0.12 -0.04 8.08 0.01 -0.61 -0.84 113.70 116.83 3mbj s SER 196 Ca 0.34 0.19 0.06 0.00 1.31 0.00 0.00 55.95 57.85 3mbj s SER 196 Cb 0.07 0.29 -0.02 0.00 0.21 0.00 0.00 66.02 66.57 3mbj s SER 196 CO 0.12 -0.12 -0.21 0.68 0.41 0.00 0.00 173.24 174.12 3mbj s VAL 197 N -0.25 2.46 0.21 3.43 -7.23 -0.33 -1.32 120.40 117.38 3mbj s VAL 197 Ca -0.03 -0.94 0.12 0.00 -1.81 0.00 0.00 61.98 59.31 3mbj s VAL 197 Cb -0.03 -1.91 -0.05 0.00 0.56 0.00 0.00 36.38 34.95 3mbj s VAL 197 CO 0.00 0.58 -0.23 -0.31 -0.31 0.00 0.00 175.10 174.84 3mbj s TYR 198 N -0.54 2.30 -0.03 2.82 1.51 -0.53 -1.00 117.35 121.89 3mbj s TYR 198 Ca 0.07 -0.35 -0.17 0.00 -1.01 0.00 0.00 57.07 55.61 3mbj s TYR 198 Cb -0.11 -1.10 0.03 0.00 -0.11 0.00 0.00 41.96 40.66 3mbj s TYR 198 CO 0.01 0.55 0.37 0.00 -1.11 0.00 0.00 175.55 175.37 3mbj s ALA 199 N -1.88 -0.93 0.02 3.71 0.00 -0.24 -0.67 121.76 121.78 3mbj s ALA 199 Ca 0.23 0.51 0.06 0.00 0.00 0.00 0.00 51.96 52.76 3mbj s ALA 199 Cb -0.07 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 3mbj s ALA 199 CO 0.11 -0.27 -0.17 -0.47 0.00 0.00 0.00 175.76 174.96 3mbj s TYR 200 N -1.22 1.46 -0.14 0.00 5.04 -0.40 -0.84 117.35 121.25 3mbj s TYR 200 Ca -0.12 -0.33 -0.00 0.00 -2.44 0.00 0.00 57.07 54.17 3mbj s TYR 200 Cb -0.04 -0.89 0.03 0.00 0.35 0.00 0.00 41.96 41.40 3mbj s TYR 200 CO 0.05 0.03 -0.10 1.21 -1.34 0.00 0.00 175.55 175.41 3mbj s ASN 201 N -0.91 2.48 0.42 4.32 3.84 -0.43 -1.95 114.94 122.72 3mbj s ASN 201 Ca 0.05 -0.43 0.11 0.00 0.21 0.00 0.00 52.86 52.79 3mbj s ASN 201 Cb -0.08 -0.98 0.92 0.00 -0.55 0.00 0.00 41.25 40.56 3mbj s ASN 201 CO 0.01 -0.11 2.00 -0.09 -2.79 0.00 0.00 177.10 176.12 3mbj h ARG 202 N 8.12 0.23 -6.30 0.43 2.43 -1.13 -1.41 114.38 116.76 3mbj h ARG 202 Ca -0.32 -0.03 -0.57 0.00 -0.81 0.00 0.00 59.98 58.25 3mbj h ARG 202 Cb 1.13 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.60 3mbj h ARG 202 CO 0.45 0.28 1.01 -1.14 -1.51 0.00 0.00 179.97 179.06 3mbj s GLN 203 N -4.95 3.93 0.00 0.20 0.74 -1.26 -1.76 119.66 116.56 3mbj s GLN 203 Ca -0.06 1.47 0.00 0.00 0.05 0.00 0.00 55.36 56.82 3mbj s GLN 203 Cb 0.16 -3.92 0.00 0.00 1.10 0.00 0.00 33.01 30.36 3mbj s GLN 203 CO 0.72 -1.11 0.00 0.41 -0.55 0.00 0.00 175.29 174.76 3mbj n GLY 204 N 4.32 2.43 3.60 2.59 0.00 -1.26 -4.28 105.19 112.59 3mbj n GLY 204 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 3mbj n GLY 204 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3mbj n ASN 205 N 0.00 -1.99 -4.73 1.61 5.15 -0.72 -4.96 115.26 109.61 3mbj n ASN 205 Ca 0.00 -0.72 -0.34 0.00 -0.60 0.00 0.00 54.58 52.92 3mbj n ASN 205 Cb 0.00 -4.52 -0.08 0.00 -0.53 0.00 0.00 39.78 34.65 3mbj n ASN 205 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3mbj s ARG 206 N -5.79 3.00 -0.07 1.20 1.81 -0.58 -4.94 118.95 113.59 3mbj s ARG 206 Ca 0.07 -0.46 0.05 0.00 -1.72 0.00 0.00 55.73 53.67 3mbj s ARG 206 Cb -0.03 -2.82 -0.01 0.00 -0.45 0.00 0.00 34.95 31.64 3mbj s ARG 206 CO 0.78 0.67 -0.24 0.71 -0.68 0.00 0.00 175.30 176.54 3mbj s TYR 207 N -1.05 2.36 0.10 -0.53 1.51 -1.26 -1.31 117.35 117.16 3mbj s TYR 207 Ca 0.18 -0.77 0.06 0.00 -1.01 0.00 0.00 57.07 55.54 3mbj s TYR 207 Cb -0.12 -1.56 -0.03 0.00 -0.11 0.00 0.00 41.96 40.14 3mbj s TYR 207 CO 0.08 -0.26 -0.16 -1.58 -1.11 0.00 0.00 175.55 172.52 3mbj s TRP 208 N -0.01 1.47 0.01 2.71 0.52 -0.02 -0.44 118.94 123.18 3mbj s TRP 208 Ca -0.07 -0.47 -0.06 0.00 0.02 0.00 0.00 56.10 55.52 3mbj s TRP 208 Cb -0.15 -0.80 -0.00 0.00 -1.15 0.00 0.00 33.47 31.37 3mbj s TRP 208 CO 0.05 0.14 0.11 -1.59 0.02 0.00 0.00 176.95 175.68 3mbj s LYS 209 N -2.06 0.46 -0.05 4.98 -2.85 0.11 -1.08 119.74 119.25 3mbj s LYS 209 Ca 0.04 -0.43 0.04 0.00 -1.00 0.00 0.00 55.97 54.61 3mbj s LYS 209 Cb -0.09 0.19 0.00 0.00 -2.06 0.00 0.00 37.83 35.87 3mbj s LYS 209 CO 0.03 -0.11 -0.16 0.08 0.10 0.00 0.00 175.35 175.30 3mbj s VAL 210 N -1.40 1.37 -0.05 1.79 1.01 -0.17 -0.49 120.40 122.46 3mbj s VAL 210 Ca -0.15 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.23 3mbj s VAL 210 Cb -0.08 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 3mbj s VAL 210 CO 0.01 0.40 -0.24 -0.89 0.00 0.00 0.00 175.10 174.39 3mbj s THR 211 N 0.22 2.21 0.16 3.92 2.01 -1.26 -1.19 115.64 121.71 3mbj s THR 211 Ca -0.07 -1.02 -0.09 0.00 0.31 0.00 0.00 61.69 60.82 3mbj s THR 211 Cb -0.13 -1.80 -0.01 0.00 0.01 0.00 0.00 72.50 70.57 3mbj s THR 211 CO 0.03 0.57 0.28 0.00 -0.69 0.00 0.00 174.62 174.81 3mbj n PRO 213 N -0.21 1.05 -3.99 0.00 -0.02 -1.26 -0.58 135.00 129.99 3mbj n PRO 213 Ca -0.07 0.39 -0.34 0.00 -2.02 0.00 0.00 63.50 61.46 3mbj n PRO 213 Cb 0.63 -2.10 -0.15 0.00 -0.02 0.00 0.00 33.50 31.86 3mbj n PRO 213 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3mbj s TYR 214 N -1.45 2.91 -0.08 6.00 5.04 -0.45 -4.47 117.35 124.85 3mbj s TYR 214 Ca 0.71 -1.26 -0.12 0.00 -2.44 0.00 0.00 57.07 53.96 3mbj s TYR 214 Cb -0.46 -2.04 -0.05 0.00 0.35 0.00 0.00 41.96 39.76 3mbj s TYR 214 CO 0.51 -0.66 0.29 -0.51 -1.34 0.00 0.00 175.55 173.84 3mbj s LEU 215 N 1.39 4.40 -1.28 6.97 1.02 -1.26 -4.63 118.68 125.30 3mbj s LEU 215 Ca 0.05 0.69 -0.18 0.00 0.02 0.00 0.00 54.13 54.71 3mbj s LEU 215 Cb -0.14 -2.36 0.02 0.00 0.02 0.00 0.00 46.19 43.73 3mbj s LEU 215 CO -0.07 0.31 1.89 -0.81 0.02 0.00 0.00 176.35 177.69 3mbj n PRO 216 N 2.23 2.73 -3.66 1.29 -0.04 -1.26 -4.83 135.00 131.46 3mbj n PRO 216 Ca -0.16 -2.89 -0.12 0.00 -0.04 0.00 0.00 63.50 60.29 3mbj n PRO 216 Cb 0.53 -3.45 -0.08 0.00 -0.04 0.00 0.00 33.50 30.46 3mbj n PRO 216 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mbj s ALA 217 N 5.25 -1.57 -0.24 0.55 0.00 -1.26 -5.14 121.76 119.36 3mbj s ALA 217 Ca 0.55 1.88 -0.08 0.00 0.00 0.00 0.00 51.96 54.31 3mbj s ALA 217 Cb 0.06 -1.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 3mbj s ALA 217 CO 0.06 -0.31 0.09 -1.58 0.00 0.00 0.00 175.76 174.02 3mbj s HIS 218 N 0.69 3.15 -0.30 0.00 2.46 -1.26 -5.07 115.29 114.96 3mbj s HIS 218 Ca -0.03 -0.18 -0.01 0.00 0.47 0.00 0.00 55.06 55.32 3mbj s HIS 218 Cb -0.05 -2.22 0.06 0.00 -0.13 0.00 0.00 32.58 30.24 3mbj s HIS 218 CO -0.05 -0.18 -0.01 0.71 -2.47 0.00 0.00 174.74 172.75 3mbj s TYR 219 N 1.30 3.31 0.33 3.88 2.02 -1.26 -4.67 117.35 122.25 3mbj s TYR 219 Ca 0.05 -2.06 -0.28 0.00 -0.37 0.00 0.00 57.07 54.41 3mbj s TYR 219 Cb -0.15 -2.19 -0.13 0.00 -0.40 0.00 0.00 41.96 39.10 3mbj s TYR 219 CO 0.04 -0.84 1.23 -2.30 -1.57 0.00 0.00 175.55 172.11 3mbj n PRO 220 N 4.56 1.95 -0.01 -1.71 -0.02 -1.26 -2.23 135.00 136.28 3mbj n PRO 220 Ca -0.12 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3mbj n PRO 220 Cb 0.43 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3mbj n PRO 220 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mbj n GLY 221 N 0.87 0.26 0.34 -1.23 0.00 -1.25 -4.45 105.19 99.73 3mbj n GLY 221 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 3mbj n GLY 221 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3mbj h THR 222 N 0.00 1.26 -0.41 2.61 2.02 -1.72 -0.67 112.91 116.00 3mbj h THR 222 Ca 0.00 -0.79 -0.05 0.00 0.77 0.00 0.00 66.41 66.34 3mbj h THR 222 Cb 0.00 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 3mbj h THR 222 CO 0.00 0.33 0.07 1.23 0.37 0.00 0.00 175.52 177.51 3mbj h GLY 223 N 1.18 0.74 1.47 2.16 0.00 -1.94 -0.26 103.07 106.42 3mbj h GLY 223 Ca 0.28 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 47.03 3mbj h GLY 223 CO -0.03 0.46 -0.11 -0.55 0.00 0.00 0.00 176.54 176.31 3mbj h ASP 224 N 0.54 0.62 -0.01 0.19 3.32 -1.90 -1.73 116.42 117.44 3mbj h ASP 224 Ca 0.13 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 3mbj h ASP 224 Cb 0.38 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 3mbj h ASP 224 CO 0.01 0.76 0.00 0.74 -1.72 0.00 0.00 179.24 179.03 3mbj h THR 225 N 0.58 1.17 -0.11 0.35 2.02 -0.90 -1.26 112.91 114.77 3mbj h THR 225 Ca 0.10 -0.50 0.04 0.00 0.77 0.00 0.00 66.41 66.83 3mbj h THR 225 Cb 0.53 1.48 -0.06 0.00 -1.74 0.00 0.00 68.15 68.36 3mbj h THR 225 CO 0.03 0.13 -0.34 0.15 0.37 0.00 0.00 175.52 175.87 3mbj h PHE 226 N -0.18 -0.94 0.00 3.16 3.57 -0.82 -2.08 116.94 119.65 3mbj h PHE 226 Ca 0.00 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.43 3mbj h PHE 226 Cb 0.21 0.43 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 3mbj h PHE 226 CO -0.00 -0.42 -0.51 1.15 -2.23 0.00 0.00 178.31 176.30 3mbj h THR 227 N -0.43 1.10 -0.73 4.41 2.02 -1.31 0.31 112.91 118.29 3mbj h THR 227 Ca 0.09 -1.94 -0.05 0.00 0.77 0.00 0.00 66.41 65.28 3mbj h THR 227 Cb 0.56 2.13 -0.03 0.00 -1.74 0.00 0.00 68.15 69.08 3mbj h THR 227 CO -0.35 0.50 0.27 0.28 0.37 0.00 0.00 175.52 176.60 3mbj h SER 228 N 0.00 1.02 -0.13 4.18 0.02 -1.03 -0.98 113.55 116.62 3mbj h SER 228 Ca -0.01 -0.16 -0.17 0.00 -0.84 0.00 0.00 61.79 60.62 3mbj h SER 228 Cb 1.09 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 63.38 3mbj h SER 228 CO 0.07 0.92 -0.57 0.58 -1.14 0.00 0.00 176.83 176.69 3mbj h VAL 229 N 1.07 1.34 -0.45 2.27 2.07 -0.44 -1.97 116.25 120.14 3mbj h VAL 229 Ca 0.24 -1.84 0.08 0.00 0.82 0.00 0.00 66.70 66.01 3mbj h VAL 229 Cb 0.23 2.09 -0.07 0.00 -1.52 0.00 0.00 31.29 32.02 3mbj h VAL 229 CO -0.02 0.56 0.02 0.40 0.02 0.00 0.00 177.57 178.56 3mbj h ILE 230 N 0.27 0.67 -0.31 4.57 1.08 -0.94 0.33 117.51 123.18 3mbj h ILE 230 Ca -0.03 -0.05 -0.01 0.00 -0.39 0.00 0.00 64.86 64.38 3mbj h ILE 230 Cb 1.20 0.53 -0.01 0.00 -3.07 0.00 0.00 36.82 35.46 3mbj h ILE 230 CO 0.12 0.02 0.16 0.74 -0.69 0.00 0.00 178.15 178.50 3mbj h THR 231 N 0.14 1.14 -0.06 -0.27 2.02 -1.05 -1.18 112.91 113.65 3mbj h THR 231 Ca 0.23 -0.39 -0.19 0.00 0.77 0.00 0.00 66.41 66.82 3mbj h THR 231 Cb 0.32 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 3mbj h THR 231 CO -0.36 0.15 -0.78 1.23 0.37 0.00 0.00 175.52 176.13 3mbj h GLY 232 N 0.38 0.43 0.90 2.16 0.00 -0.90 -3.10 103.07 102.93 3mbj h GLY 232 Ca 0.11 -0.64 -0.02 0.00 0.00 0.00 0.00 47.33 46.78 3mbj h GLY 232 CO -0.02 0.57 0.10 0.23 0.00 0.00 0.00 176.54 177.42 3mbj h SER 233 N 0.25 0.36 0.00 0.19 0.87 -0.79 -0.68 113.55 113.75 3mbj h SER 233 Ca -0.04 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 3mbj h SER 233 Cb 1.37 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 3mbj h SER 233 CO 0.13 0.44 0.00 0.18 -0.53 0.00 0.00 176.83 177.05 3mbj n LEU 234 N -4.77 0.00 0.00 2.23 4.77 -0.46 -1.57 117.00 117.21 3mbj n LEU 234 Ca -0.03 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3mbj n LEU 234 Cb 0.14 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3mbj n LEU 234 CO 0.36 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.42 3mbj n GLN 236 N 0.83 0.00 -0.22 3.23 6.02 -0.26 -4.04 117.38 122.94 3mbj n GLN 236 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3mbj n GLN 236 Cb 0.00 -0.05 0.00 0.00 1.02 0.00 0.00 30.24 31.21 3mbj n GLN 236 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3mbj n GLY 237 N 0.05 0.86 3.77 1.08 0.00 -1.07 -5.07 105.19 104.81 3mbj n GLY 237 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3mbj n GLY 237 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mbj s ASP 238 N -2.12 6.16 0.89 1.61 1.01 -0.61 -5.02 116.67 118.60 3mbj s ASP 238 Ca 0.00 2.39 -0.10 0.00 0.71 0.00 0.00 52.55 55.54 3mbj s ASP 238 Cb 0.00 -2.61 0.13 0.00 1.01 0.00 0.00 42.92 41.45 3mbj s ASP 238 CO 0.00 -0.93 1.15 -0.94 0.21 0.00 0.00 175.17 174.67 3mbj s SER 239 N -1.23 3.07 0.13 0.27 1.04 -1.26 -4.58 113.70 111.15 3mbj s SER 239 Ca 0.62 2.20 -0.21 0.00 0.48 0.00 0.00 55.95 59.05 3mbj s SER 239 Cb -0.31 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.23 3mbj s SER 239 CO 0.38 -3.01 1.68 0.25 0.98 0.00 0.00 173.24 173.52 3mbj h LEU 240 N -1.72 -0.34 -3.25 2.42 5.85 -1.99 -1.32 115.31 114.97 3mbj h LEU 240 Ca -0.43 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3mbj h LEU 240 Cb 1.27 0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.49 3mbj h LEU 240 CO 0.42 -0.13 0.00 -0.81 -0.34 0.00 0.00 178.44 177.58 3mbj n PRO 241 N -5.26 0.36 0.00 5.25 -0.04 -1.26 -1.38 135.00 132.68 3mbj n PRO 241 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 3mbj n PRO 241 Cb 0.18 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 3mbj n PRO 241 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mbj n ALA 243 N 1.58 0.00 -0.25 0.55 0.00 -0.50 -1.54 120.51 120.35 3mbj n ALA 243 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 3mbj n ALA 243 Cb 0.18 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.73 3mbj n ALA 243 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3mbj h LEU 244 N 0.00 0.68 -0.11 0.00 3.38 -1.50 -1.61 115.31 116.15 3mbj h LEU 244 Ca 0.00 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3mbj h LEU 244 Cb 0.00 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3mbj h LEU 244 CO 0.00 0.45 -0.01 0.44 0.09 0.00 0.00 178.44 179.41 3mbj h ASP 245 N 0.82 0.20 -0.06 -0.43 3.32 -1.56 -1.06 116.42 117.64 3mbj h ASP 245 Ca 0.30 -0.33 0.01 0.00 0.02 0.00 0.00 57.03 57.03 3mbj h ASP 245 Cb 0.11 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3mbj h ASP 245 CO -0.15 0.49 0.01 0.03 -1.72 0.00 0.00 179.24 177.91 3mbj h ARG 246 N -0.09 0.04 -0.61 3.56 3.08 -1.80 -0.89 114.38 117.68 3mbj h ARG 246 Ca 0.03 -0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 3mbj h ARG 246 Cb 0.39 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 3mbj h ARG 246 CO 0.01 0.03 0.15 0.00 -1.07 0.00 0.00 179.97 179.09 3mbj h ALA 247 N 1.04 0.80 -0.40 0.04 0.00 -1.34 -0.32 119.26 119.08 3mbj h ALA 247 Ca 0.03 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 3mbj h ALA 247 Cb 0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3mbj h ALA 247 CO -0.03 0.50 -0.32 1.79 0.00 0.00 0.00 179.25 181.19 3mbj h THR 248 N 0.88 1.27 -0.43 0.00 1.35 -1.10 -2.05 112.91 112.84 3mbj h THR 248 Ca 0.19 -1.49 -0.13 0.00 -0.55 0.00 0.00 66.41 64.43 3mbj h THR 248 Cb 0.35 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 68.09 3mbj h THR 248 CO 0.00 0.50 -0.24 1.56 -0.25 0.00 0.00 175.52 177.09 3mbj h GLN 249 N 0.75 0.88 0.05 4.72 4.20 -1.09 -1.14 115.11 123.47 3mbj h GLN 249 Ca 0.07 -0.38 -0.00 0.00 0.06 0.00 0.00 58.65 58.40 3mbj h GLN 249 Cb 0.91 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.66 3mbj h GLN 249 CO 0.08 1.02 -0.02 0.35 -0.67 0.00 0.00 178.83 179.60 3mbj h PHE 250 N 0.76 -0.06 -0.44 2.96 3.57 -0.99 0.15 116.94 122.88 3mbj h PHE 250 Ca 0.10 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.65 3mbj h PHE 250 Cb 0.79 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.50 3mbj h PHE 250 CO 0.05 0.04 0.16 0.82 -2.23 0.00 0.00 178.31 177.14 3mbj h ILE 251 N -0.15 0.86 -0.58 1.41 1.08 -1.29 -1.26 117.51 117.58 3mbj h ILE 251 Ca -0.01 -0.11 0.03 0.00 -0.39 0.00 0.00 64.86 64.38 3mbj h ILE 251 Cb 0.13 0.51 -0.04 0.00 -3.07 0.00 0.00 36.82 34.34 3mbj h ILE 251 CO 0.01 0.06 0.35 0.25 -0.69 0.00 0.00 178.15 178.13 3mbj h LEU 252 N 0.33 0.56 -0.70 1.44 5.85 -0.88 0.23 115.31 122.13 3mbj h LEU 252 Ca 0.21 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.96 3mbj h LEU 252 Cb 0.20 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 3mbj h LEU 252 CO -0.21 0.39 0.44 1.56 -0.34 0.00 0.00 178.44 180.28 3mbj h GLN 253 N 0.68 0.84 -0.44 1.25 4.20 -0.41 0.25 115.11 121.48 3mbj h GLN 253 Ca 0.23 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.82 3mbj h GLN 253 Cb 0.03 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 3mbj h GLN 253 CO -0.11 0.56 -0.03 0.78 -0.67 0.00 0.00 178.83 179.36 3mbj h GLY 254 N 0.87 0.86 0.94 3.46 0.00 -0.65 -0.82 103.07 107.73 3mbj h GLY 254 Ca 0.28 -0.66 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 3mbj h GLY 254 CO -0.10 0.60 0.16 -2.22 0.00 0.00 0.00 176.54 174.98 3mbj h ILE 255 N 0.63 1.19 -0.96 2.60 2.04 -0.71 -2.28 117.51 120.01 3mbj h ILE 255 Ca 0.12 -0.58 0.06 0.00 1.00 0.00 0.00 64.86 65.47 3mbj h ILE 255 Cb 0.54 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 37.41 3mbj h ILE 255 CO 0.03 0.21 0.62 0.03 0.00 0.00 0.00 178.15 179.03 3mbj h ARG 256 N 0.47 1.09 0.00 2.37 2.47 -0.83 0.14 114.38 120.09 3mbj h ARG 256 Ca 0.13 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 3mbj h ARG 256 Cb 0.18 -0.25 0.00 0.00 -1.65 0.00 0.00 29.97 28.25 3mbj h ARG 256 CO -0.01 0.72 0.00 0.00 0.56 0.00 0.00 179.97 181.24 3mbj h ALA 257 N 1.44 1.00 0.00 0.04 0.00 -0.93 -3.36 119.26 117.44 3mbj h ALA 257 Ca 0.41 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.97 3mbj h ALA 257 Cb 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3mbj h ALA 257 CO -0.17 0.00 -2.20 2.41 0.00 0.00 0.00 179.25 179.29 3mbj n THR 258 N -2.77 1.18 0.04 0.00 -1.04 -0.28 -4.71 114.28 106.69 3mbj n THR 258 Ca -0.00 -0.33 0.21 0.00 -2.04 0.00 0.00 64.05 61.89 3mbj n THR 258 Cb 0.20 -1.68 0.73 0.00 -1.82 0.00 0.00 70.33 67.76 3mbj n THR 258 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 3mbj h PHE 259 N -0.62 0.00 0.00 -1.42 3.57 -0.95 -2.67 116.94 114.85 3mbj h PHE 259 Ca -0.53 0.00 0.00 0.00 3.53 0.00 0.00 57.97 60.97 3mbj h PHE 259 Cb 1.52 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.26 3mbj h PHE 259 CO -0.05 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 176.44 3mbj n GLY 260 N -1.56 -1.20 3.88 2.40 0.00 -1.26 -4.79 105.19 102.66 3mbj n GLY 260 Ca 0.09 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 3mbj n GLY 260 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mbj s TYR 261 N -2.65 3.55 0.02 1.61 2.02 -1.01 -5.06 117.35 115.83 3mbj s TYR 261 Ca 0.23 0.63 -0.30 0.00 -0.37 0.00 0.00 57.07 57.26 3mbj s TYR 261 Cb 0.18 -2.05 -0.08 0.00 -0.40 0.00 0.00 41.96 39.61 3mbj s TYR 261 CO 0.41 0.53 1.90 -1.21 -1.57 0.00 0.00 175.55 175.61 3mbj s GLU 262 N -2.10 4.15 -0.11 -0.62 0.41 -1.26 -4.95 118.70 114.21 3mbj s GLU 262 Ca 0.34 2.53 -0.22 0.00 -0.41 0.00 0.00 54.97 57.20 3mbj s GLU 262 Cb -0.13 -4.11 0.05 0.00 -1.78 0.00 0.00 34.13 28.16 3mbj s GLU 262 CO 0.20 -0.93 0.54 -0.47 -0.49 0.00 0.00 175.26 174.11 3mbj s TYR 263 N 4.31 -0.53 -0.45 1.61 5.04 -1.26 -5.11 117.35 120.96 3mbj s TYR 263 Ca 0.85 1.09 -0.18 0.00 -2.44 0.00 0.00 57.07 56.39 3mbj s TYR 263 Cb -0.41 0.25 0.03 0.00 0.35 0.00 0.00 41.96 42.18 3mbj s TYR 263 CO 0.39 -0.42 0.52 0.34 -1.34 0.00 0.00 175.55 175.04 3mbj s ASP 264 N -0.57 6.23 0.59 4.32 -1.08 -1.26 -4.92 116.67 119.98 3mbj s ASP 264 Ca -0.07 -0.68 0.36 0.00 -0.52 0.00 0.00 52.55 51.64 3mbj s ASP 264 Cb -0.03 -2.26 1.83 0.00 -1.46 0.00 0.00 42.92 41.01 3mbj s ASP 264 CO 0.05 -0.69 2.17 0.78 0.52 0.00 0.00 175.17 178.00 3mbj h ASN 265 N 8.82 0.00 0.57 -0.34 2.35 -1.93 -1.78 115.58 123.27 3mbj h ASN 265 Ca -0.26 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.47 3mbj h ASN 265 Cb 1.10 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.47 3mbj h ASN 265 CO 0.86 0.03 -0.06 0.03 -1.65 0.00 0.00 177.43 176.63 3mbj h ARG 266 N 0.00 0.00 0.00 0.81 3.08 -1.91 -1.50 114.38 114.85 3mbj h ARG 266 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mbj h ARG 266 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3mbj h ARG 266 CO 0.00 0.06 0.00 0.93 -1.07 0.00 0.00 179.97 179.90 3mbj h GLU 267 N 0.00 0.00 0.00 0.04 5.08 -1.69 -3.43 114.58 114.58 3mbj h GLU 267 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3mbj h GLU 267 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3mbj h GLU 267 CO 0.01 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.43 3mbj n GLY 268 N -0.34 0.43 3.77 -3.84 0.00 -0.56 -3.20 105.19 101.44 3mbj n GLY 268 Ca 0.01 -1.92 -0.40 0.00 0.00 0.00 0.00 46.02 43.71 3mbj n GLY 268 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mbj s ILE 269 N -1.69 2.02 -1.04 -0.61 1.01 -1.26 -4.88 121.20 114.74 3mbj s ILE 269 Ca 0.00 0.01 -0.15 0.00 0.00 0.00 0.00 60.65 60.52 3mbj s ILE 269 Cb 0.00 -3.01 -0.08 0.00 0.01 0.00 0.00 42.46 39.38 3mbj s ILE 269 CO 0.00 0.00 2.15 0.18 0.00 0.00 0.00 174.94 177.27 3mbj n LEU 270 N -0.15 5.38 -0.34 2.97 4.77 -1.26 -4.76 117.00 123.61 3mbj n LEU 270 Ca 0.05 -3.30 0.21 0.00 -0.03 0.00 0.00 56.01 52.94 3mbj n LEU 270 Cb 0.41 -1.26 0.45 0.00 -2.33 0.00 0.00 43.42 40.69 3mbj n LEU 270 CO 0.60 0.47 1.18 0.25 -1.33 0.00 0.00 177.39 178.55 3mbj h LEU 271 N 10.77 0.56 -1.42 2.23 5.85 -1.91 -0.37 115.31 131.02 3mbj h LEU 271 Ca 0.52 0.12 -0.05 0.00 0.84 0.00 0.00 57.88 59.32 3mbj h LEU 271 Cb 0.48 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3mbj h LEU 271 CO 1.78 0.07 -0.22 -0.33 -0.34 0.00 0.00 178.44 179.40 3mbj h GLU 272 N 0.47 0.00 0.00 1.25 3.07 -2.01 0.85 114.58 118.21 3mbj h GLU 272 Ca 0.64 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.50 3mbj h GLU 272 Cb 1.42 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.33 3mbj h GLU 272 CO -0.42 0.22 0.00 0.87 -1.40 0.00 0.00 179.01 178.28 3mbj h LYS 273 N 0.00 0.00 0.00 2.33 1.57 -1.46 -3.33 116.57 115.68 3mbj h LYS 273 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3mbj h LYS 273 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3mbj h LYS 273 CO 0.03 0.00 0.00 1.33 -0.57 0.00 0.00 179.45 180.24 3mbj n VAL 274 N -3.03 0.00 -0.29 0.50 0.24 -0.64 -4.80 118.33 110.30 3mbj n VAL 274 Ca 0.02 -0.47 0.12 0.00 -2.04 0.00 0.00 64.34 61.97 3mbj n VAL 274 Cb 0.40 1.05 0.28 0.00 -1.47 0.00 0.00 33.84 34.11 3mbj n VAL 274 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3mbj h LEU 275 N 0.00 0.14 0.00 1.34 5.85 -0.98 0.22 115.31 121.87 3mbj h LEU 275 Ca 0.00 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3mbj h LEU 275 Cb 0.03 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.26 3mbj h LEU 275 CO 0.00 -0.08 0.00 1.41 -0.34 0.00 0.00 178.44 179.43 3mbj n HIS 276 N -5.14 0.00 -0.16 1.25 8.25 -1.26 -2.83 115.22 115.32 3mbj n HIS 276 Ca 0.21 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.72 3mbj n HIS 276 Cb 0.64 -0.18 0.34 0.00 1.12 0.00 0.00 29.99 31.91 3mbj n HIS 276 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 3mbj h ASN 277 N 0.00 0.68 -0.04 0.41 4.21 -1.29 -0.97 115.58 118.57 3mbj h ASN 277 Ca 0.00 -0.00 0.01 0.00 1.21 0.00 0.00 56.30 57.52 3mbj h ASN 277 Cb 0.17 -0.15 -0.00 0.00 -1.12 0.00 0.00 38.32 37.22 3mbj h ASN 277 CO 0.00 0.46 0.13 -0.07 -1.29 0.00 0.00 177.43 176.65 3mbj h LEU 278 N 0.78 0.00 -3.37 1.61 3.38 -1.69 -3.44 115.31 112.57 3mbj h LEU 278 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3mbj h LEU 278 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3mbj h LEU 278 CO -0.08 0.00 0.00 0.47 0.09 0.00 0.00 178.44 178.92 3mbj n ASP 279 N -3.29 1.82 -4.47 -0.43 8.00 -0.37 -5.04 116.55 112.76 3mbj n ASP 279 Ca -0.02 -1.39 -0.31 0.00 0.71 0.00 0.00 54.79 53.78 3mbj n ASP 279 Cb 0.20 -0.38 -0.12 0.00 -0.02 0.00 0.00 41.12 40.80 3mbj n ASP 279 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3mbj s PRO 281 N 1.17 2.13 0.03 -0.24 0.04 -1.26 -5.19 135.00 131.67 3mbj s PRO 281 Ca 0.00 -0.95 -0.30 0.00 0.04 0.00 0.00 61.00 59.79 3mbj s PRO 281 Cb 0.00 -2.22 -0.09 0.00 0.04 0.00 0.00 34.50 32.23 3mbj s PRO 281 CO 0.00 0.55 1.98 0.42 0.04 0.00 0.00 177.00 179.98 3mbj s ILE 282 N -0.93 3.02 -0.59 0.56 1.09 -1.26 -5.16 121.20 117.92 3mbj s ILE 282 Ca 0.15 0.03 0.03 0.00 -1.10 0.00 0.00 60.65 59.75 3mbj s ILE 282 Cb -0.11 -3.02 0.18 0.00 -1.06 0.00 0.00 42.46 38.46 3mbj s ILE 282 CO 0.06 -0.00 0.93 0.00 -0.10 0.00 0.00 174.94 175.82 3mbj n GLN 283 N 7.58 1.72 -3.90 2.79 6.02 -1.26 -5.20 117.38 125.14 3mbj n GLN 283 Ca 0.20 -0.73 -0.09 0.00 -0.01 0.00 0.00 57.00 56.38 3mbj n GLN 283 Cb 0.41 -1.55 -0.07 0.00 1.02 0.00 0.00 30.24 30.05 3mbj n GLN 283 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3mbj s ALA 285 N -1.21 -0.11 0.00 -1.58 0.00 -1.26 -5.29 121.76 112.31 3mbj s ALA 285 Ca 0.13 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.37 3mbj s ALA 285 Cb 0.10 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.76 3mbj s ALA 285 CO 0.03 -0.52 0.39 -1.13 0.00 0.00 0.00 175.76 174.53 3mbj n SER 286 N -0.07 0.13 -4.72 0.00 3.41 -1.26 -5.12 113.62 105.99 3mbj n SER 286 Ca -0.14 -1.05 -0.34 0.00 -0.26 0.00 0.00 58.87 57.09 3mbj n SER 286 Cb 0.62 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.68 3mbj n SER 286 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3mbj s TYR 287 N -0.05 2.04 -0.01 7.33 -0.85 -1.26 -4.63 117.35 119.92 3mbj s TYR 287 Ca 0.00 1.63 0.02 0.00 -0.52 0.00 0.00 57.07 58.20 3mbj s TYR 287 Cb 0.00 -3.42 -0.00 0.00 0.38 0.00 0.00 41.96 38.92 3mbj s TYR 287 CO 0.00 -2.56 -0.08 -1.21 -1.52 0.00 0.00 175.55 170.18 3mbj s GLU 288 N -4.08 0.70 -0.12 -3.49 2.02 0.35 -4.98 118.70 109.10 3mbj s GLU 288 Ca 0.72 -0.28 -0.21 0.00 0.02 0.00 0.00 54.97 55.21 3mbj s GLU 288 Cb -0.27 -0.67 -0.03 0.00 0.10 0.00 0.00 34.13 33.25 3mbj s GLU 288 CO 0.48 0.16 0.63 -1.17 0.02 0.00 0.00 175.26 175.37 3mbj s LEU 289 N -0.11 4.25 0.00 1.80 2.96 -1.26 -0.71 118.68 125.61 3mbj s LEU 289 Ca 0.02 0.99 0.00 0.00 -0.22 0.00 0.00 54.13 54.92 3mbj s LEU 289 Cb -0.04 -2.94 0.00 0.00 0.50 0.00 0.00 46.19 43.71 3mbj s LEU 289 CO -0.00 -0.14 0.45 2.30 -1.32 0.00 0.00 176.35 177.63