#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mbh s LYS 5 N 0.00 1.41 -0.13 -3.83 2.20 -1.26 -5.12 119.74 113.00 3mbh s LYS 5 Ca 0.00 -0.61 0.03 0.00 -0.36 0.00 0.00 55.97 55.02 3mbh s LYS 5 Cb 0.00 -1.35 0.01 0.00 -1.51 0.00 0.00 37.83 34.98 3mbh s LYS 5 CO 0.00 0.36 -0.21 0.08 -0.36 0.00 0.00 175.35 175.22 3mbh s VAL 6 N -0.38 1.99 0.43 4.02 1.01 -1.26 -5.11 120.40 121.10 3mbh s VAL 6 Ca 0.06 -0.94 -0.26 0.00 0.00 0.00 0.00 61.98 60.84 3mbh s VAL 6 Cb -0.07 -1.76 -0.09 0.00 0.00 0.00 0.00 36.38 34.47 3mbh s VAL 6 CO -0.01 0.54 1.39 -0.54 0.00 0.00 0.00 175.10 176.48 3mbh s LYS 7 N 0.77 3.84 -0.10 2.72 1.02 -1.26 -4.73 119.74 122.00 3mbh s LYS 7 Ca -0.09 2.34 -0.02 0.00 0.02 0.00 0.00 55.97 58.23 3mbh s LYS 7 Cb -0.16 -2.73 -0.03 0.00 -0.52 0.00 0.00 37.83 34.39 3mbh s LYS 7 CO -0.00 -0.67 -0.02 0.15 -0.92 0.00 0.00 175.35 173.89 3mbh s LYS 8 N -2.33 3.10 -0.17 1.68 1.02 -1.26 -1.18 119.74 120.59 3mbh s LYS 8 Ca 0.58 -0.45 0.01 0.00 0.02 0.00 0.00 55.97 56.13 3mbh s LYS 8 Cb -0.42 -2.79 0.01 0.00 -0.52 0.00 0.00 37.83 34.11 3mbh s LYS 8 CO 0.54 0.60 -0.18 0.42 -0.92 0.00 0.00 175.35 175.81 3mbh s ILE 9 N -0.60 2.25 -0.22 2.17 1.01 0.54 -1.05 121.20 125.30 3mbh s ILE 9 Ca 0.10 -0.89 -0.29 0.00 0.00 0.00 0.00 60.65 59.57 3mbh s ILE 9 Cb -0.12 -1.95 -0.00 0.00 0.01 0.00 0.00 42.46 40.40 3mbh s ILE 9 CO 0.02 0.53 1.19 0.00 0.00 0.00 0.00 174.94 176.68 3mbh s ALA 10 N 1.17 3.61 -0.35 9.38 0.00 -0.53 -0.18 121.76 134.85 3mbh s ALA 10 Ca 0.02 0.27 -0.08 0.00 0.00 0.00 0.00 51.96 52.17 3mbh s ALA 10 Cb -0.14 -3.63 0.03 0.00 0.00 0.00 0.00 23.12 19.38 3mbh s ALA 10 CO -0.09 -1.27 0.15 0.00 0.00 0.00 0.00 175.76 174.56 3mbh s ALA 11 N 3.58 3.15 -0.97 0.00 0.00 -0.71 -0.87 121.76 125.93 3mbh s ALA 11 Ca 0.51 -1.73 -0.11 0.00 0.00 0.00 0.00 51.96 50.63 3mbh s ALA 11 Cb -0.18 -2.41 0.25 0.00 0.00 0.00 0.00 23.12 20.77 3mbh s ALA 11 CO 0.14 -1.35 0.94 0.08 0.00 0.00 0.00 175.76 175.56 3mbh s VAL 12 N 1.47 5.77 0.11 0.00 1.01 0.39 -1.01 120.40 128.14 3mbh s VAL 12 Ca 0.00 -2.99 -0.08 0.00 0.00 0.00 0.00 61.98 58.91 3mbh s VAL 12 Cb -0.19 -4.51 -0.01 0.00 0.00 0.00 0.00 36.38 31.67 3mbh s VAL 12 CO 0.05 -1.11 0.19 -1.00 0.00 0.00 0.00 175.10 173.23 3mbh s HIS 13 N -0.60 0.32 0.64 5.22 3.76 -1.21 -0.82 115.29 122.60 3mbh s HIS 13 Ca 0.25 -0.73 -0.11 0.00 -0.15 0.00 0.00 55.06 54.32 3mbh s HIS 13 Cb -0.10 -0.12 -0.02 0.00 1.11 0.00 0.00 32.58 33.45 3mbh s HIS 13 CO -0.08 -0.59 1.04 0.16 -0.85 0.00 0.00 174.74 174.42 3mbh s ASP 14 N -2.92 5.96 -0.27 1.40 -4.77 -1.22 -1.76 116.67 113.08 3mbh s ASP 14 Ca 0.11 1.29 -0.08 0.00 -3.30 0.00 0.00 52.55 50.57 3mbh s ASP 14 Cb 0.05 -2.26 -0.02 0.00 -1.09 0.00 0.00 42.92 39.60 3mbh s ASP 14 CO -0.06 -1.02 0.10 -0.22 0.70 0.00 0.00 175.17 174.66 3mbh s LEU 15 N -5.22 3.71 -0.13 2.11 2.96 0.11 -1.97 118.68 120.25 3mbh s LEU 15 Ca 0.56 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 54.11 3mbh s LEU 15 Cb -0.11 -1.94 0.00 0.00 0.50 0.00 0.00 46.19 44.64 3mbh s LEU 15 CO 0.53 -0.11 -0.21 -0.44 -1.32 0.00 0.00 176.35 174.80 3mbh s SER 16 N 1.60 3.30 0.31 3.68 0.01 -1.26 -0.87 113.70 120.47 3mbh s SER 16 Ca 0.05 -0.54 0.22 0.00 1.31 0.00 0.00 55.95 56.99 3mbh s SER 16 Cb -0.16 -1.47 1.13 0.00 0.21 0.00 0.00 66.02 65.73 3mbh s SER 16 CO 0.04 0.12 1.66 0.61 0.41 0.00 0.00 173.24 176.08 3mbh n GLY 17 N 3.83 -0.93 1.02 3.44 0.00 -0.57 -4.76 105.19 107.22 3mbh n GLY 17 Ca -0.19 0.18 0.10 0.00 0.00 0.00 0.00 46.02 46.11 3mbh n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mbh n GLY 19 N -1.09 -1.43 2.74 -0.02 0.00 -1.26 -4.95 105.19 99.18 3mbh n GLY 19 Ca -0.01 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 3mbh n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mbh s ARG 20 N -3.02 1.64 0.35 1.61 0.52 -1.20 -4.94 118.95 113.91 3mbh s ARG 20 Ca 0.00 -2.48 0.03 0.00 -0.52 0.00 0.00 55.73 52.76 3mbh s ARG 20 Cb 0.00 -2.61 -0.05 0.00 0.52 0.00 0.00 34.95 32.81 3mbh s ARG 20 CO 0.00 -1.23 0.08 0.14 0.02 0.00 0.00 175.30 174.31 3mbh s VAL 21 N -0.29 0.97 0.00 3.52 -7.23 -1.26 -4.20 120.40 111.90 3mbh s VAL 21 Ca 0.22 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 3mbh s VAL 21 Cb -0.14 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 34.15 3mbh s VAL 21 CO -0.08 0.00 0.00 -1.54 -0.31 0.00 0.00 175.10 173.17 3mbh n SER 22 N -0.84 0.00 0.18 4.85 3.41 -1.26 -2.39 113.62 117.56 3mbh n SER 22 Ca -0.03 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.64 3mbh n SER 22 Cb 0.66 0.00 0.57 0.00 -0.26 0.00 0.00 64.21 65.18 3mbh n SER 22 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3mbh h LEU 23 N 0.00 0.15 0.00 1.04 3.38 -1.71 -0.20 115.31 117.97 3mbh h LEU 23 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mbh h LEU 23 Cb 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3mbh h LEU 23 CO 0.00 0.12 0.00 0.35 0.09 0.00 0.00 178.44 179.00 3mbh n THR 24 N -4.51 0.33 -0.10 0.22 -2.24 -1.01 -1.05 114.28 105.92 3mbh n THR 24 Ca -0.01 0.08 -0.19 0.00 -2.27 0.00 0.00 64.05 61.66 3mbh n THR 24 Cb 0.09 -0.75 -0.08 0.00 -2.10 0.00 0.00 70.33 67.49 3mbh n THR 24 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3mbh n VAL 25 N -1.25 1.13 -0.10 2.28 0.31 -0.28 -4.59 118.33 115.83 3mbh n VAL 25 Ca 0.10 -0.34 -0.06 0.00 -0.01 0.00 0.00 64.34 64.03 3mbh n VAL 25 Cb 0.15 -1.57 0.01 0.00 -0.91 0.00 0.00 33.84 31.52 3mbh n VAL 25 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3mbh h VAL 26 N -0.48 0.90 0.50 2.52 2.07 -1.00 -2.57 116.25 118.19 3mbh h VAL 26 Ca -0.50 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 3mbh h VAL 26 Cb 1.54 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 3mbh h VAL 26 CO -0.23 0.05 -0.24 0.40 0.02 0.00 0.00 177.57 177.57 3mbh h ILE 27 N 0.26 0.49 -0.78 4.57 2.04 -1.35 -1.77 117.51 120.98 3mbh h ILE 27 Ca 0.16 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.85 3mbh h ILE 27 Cb 0.13 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 3mbh h ILE 27 CO -0.16 0.02 0.32 -0.65 0.00 0.00 0.00 178.15 177.68 3mbh h PRO 28 N -0.75 1.15 0.29 2.37 0.11 -1.77 -1.43 132.00 131.97 3mbh h PRO 28 Ca -0.07 -0.20 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 3mbh h PRO 28 Cb 0.55 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.47 3mbh h PRO 28 CO 0.11 0.92 -0.14 0.82 -0.21 0.00 0.00 178.00 179.51 3mbh h ILE 29 N 1.13 0.73 -0.38 4.15 2.04 -1.45 -1.88 117.51 121.85 3mbh h ILE 29 Ca 0.26 -0.61 -0.10 0.00 1.00 0.00 0.00 64.86 65.41 3mbh h ILE 29 Cb 0.19 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 3mbh h ILE 29 CO -0.02 0.12 -0.19 -0.07 0.00 0.00 0.00 178.15 177.99 3mbh h LEU 30 N -0.73 0.72 -0.75 1.44 3.38 -1.29 -2.39 115.31 115.69 3mbh h LEU 30 Ca -0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 3mbh h LEU 30 Cb 0.49 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 3mbh h LEU 30 CO 0.06 0.91 0.40 0.77 0.09 0.00 0.00 178.44 180.67 3mbh h SER 31 N 0.64 0.95 0.00 -0.43 4.64 -1.23 -0.60 113.55 117.53 3mbh h SER 31 Ca 0.10 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3mbh h SER 31 Cb 0.67 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3mbh h SER 31 CO 0.05 0.79 0.00 -1.20 -0.87 0.00 0.00 176.83 175.60 3mbh n SER 32 N -4.44 1.85 -0.11 4.97 7.64 -0.71 -4.02 113.62 118.81 3mbh n SER 32 Ca 0.07 -1.45 0.01 0.00 1.01 0.00 0.00 58.87 58.50 3mbh n SER 32 Cb 0.10 -0.39 0.01 0.00 -1.01 0.00 0.00 64.21 62.92 3mbh n SER 32 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mbh n GLY 34 N 1.76 -0.69 3.55 0.23 0.00 -0.80 -4.96 105.19 104.28 3mbh n GLY 34 Ca 0.00 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 3mbh n GLY 34 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mbh s PHE 35 N -0.37 2.76 -0.05 1.61 0.08 -0.30 -4.54 117.98 117.17 3mbh s PHE 35 Ca 0.02 -0.13 -0.27 0.00 0.12 0.00 0.00 56.93 56.68 3mbh s PHE 35 Cb 0.02 -1.54 -0.03 0.00 -0.57 0.00 0.00 43.02 40.90 3mbh s PHE 35 CO 0.00 0.34 0.85 -1.14 -0.10 0.00 0.00 175.22 175.17 3mbh s GLN 36 N -1.52 4.47 -0.28 0.44 0.74 -0.33 -3.23 119.66 119.95 3mbh s GLN 36 Ca 0.17 1.15 -0.10 0.00 0.05 0.00 0.00 55.36 56.62 3mbh s GLN 36 Cb -0.11 -3.47 -0.04 0.00 1.10 0.00 0.00 33.01 30.49 3mbh s GLN 36 CO 0.08 -0.05 0.17 0.08 -0.55 0.00 0.00 175.29 175.02 3mbh s VAL 37 N 1.12 5.10 -0.39 1.34 1.01 -1.26 -0.34 120.40 126.98 3mbh s VAL 37 Ca 0.44 0.04 -0.08 0.00 0.00 0.00 0.00 61.98 62.38 3mbh s VAL 37 Cb -0.19 -3.45 0.06 0.00 0.00 0.00 0.00 36.38 32.80 3mbh s VAL 37 CO 0.21 0.23 0.20 0.00 0.00 0.00 0.00 175.10 175.74 3mbh s PRO 39 N 1.41 4.71 -0.67 0.00 0.04 -1.26 -1.74 135.00 137.48 3mbh s PRO 39 Ca 0.02 1.56 -0.01 0.00 0.04 0.00 0.00 61.00 62.61 3mbh s PRO 39 Cb -0.21 -3.31 0.17 0.00 0.04 0.00 0.00 34.50 31.19 3mbh s PRO 39 CO 0.02 0.26 0.49 -1.17 0.04 0.00 0.00 177.00 176.64 3mbh s LEU 40 N -0.52 5.13 0.19 -3.56 2.96 -0.18 -4.89 118.68 117.82 3mbh s LEU 40 Ca 0.46 -3.16 -0.30 0.00 -0.22 0.00 0.00 54.13 50.91 3mbh s LEU 40 Cb -0.26 -1.82 -0.09 0.00 0.50 0.00 0.00 46.19 44.52 3mbh s LEU 40 CO 0.33 -0.28 1.37 -2.16 -1.32 0.00 0.00 176.35 174.28 3mbh s PRO 41 N -0.50 4.34 0.09 0.98 0.04 -1.26 -3.28 135.00 135.41 3mbh s PRO 41 Ca 0.20 2.12 0.21 0.00 0.04 0.00 0.00 61.00 63.57 3mbh s PRO 41 Cb -0.17 -3.19 -0.14 0.00 0.04 0.00 0.00 34.50 31.04 3mbh s PRO 41 CO -0.06 -0.35 0.79 0.25 0.04 0.00 0.00 177.00 177.67 3mbh n THR 42 N 2.96 0.59 -3.57 1.26 -2.24 -0.72 -4.77 114.28 107.77 3mbh n THR 42 Ca 0.08 -0.58 -0.06 0.00 -2.27 0.00 0.00 64.05 61.22 3mbh n THR 42 Cb 0.42 -0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.30 3mbh n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mbh s ALA 43 N -3.28 -1.99 -0.15 6.98 0.00 -1.26 -1.81 121.76 120.25 3mbh s ALA 43 Ca -0.04 1.49 0.01 0.00 0.00 0.00 0.00 51.96 53.42 3mbh s ALA 43 Cb 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.00 3mbh s ALA 43 CO 0.83 -0.54 -0.18 0.08 0.00 0.00 0.00 175.76 175.95 3mbh s VAL 44 N -2.24 2.41 0.12 0.00 1.01 -0.23 -0.71 120.40 120.76 3mbh s VAL 44 Ca 0.06 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.24 3mbh s VAL 44 Cb -0.01 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 3mbh s VAL 44 CO -0.05 0.53 -0.14 -0.76 0.00 0.00 0.00 175.10 174.68 3mbh s LEU 45 N 0.78 2.40 0.34 3.92 1.02 -0.04 -0.07 118.68 127.02 3mbh s LEU 45 Ca -0.07 -0.80 0.04 0.00 0.02 0.00 0.00 54.13 53.31 3mbh s LEU 45 Cb -0.16 -0.57 0.60 0.00 0.02 0.00 0.00 46.19 46.08 3mbh s LEU 45 CO -0.00 -0.13 1.89 0.77 0.02 0.00 0.00 176.35 178.90 3mbh h SER 46 N 3.54 0.55 -5.34 2.29 4.64 -1.86 -1.52 113.55 115.84 3mbh h SER 46 Ca -0.40 -0.09 0.18 0.00 -0.47 0.00 0.00 61.79 61.01 3mbh h SER 46 Cb 1.20 -0.14 -0.08 0.00 -0.31 0.00 0.00 62.40 63.06 3mbh h SER 46 CO 0.50 0.57 0.50 0.54 -0.87 0.00 0.00 176.83 178.07 3mbh s ASN 47 N -6.69 -0.17 0.90 4.97 4.22 -1.26 -2.51 114.94 114.40 3mbh s ASN 47 Ca -0.08 -0.41 -0.11 0.00 -2.14 0.00 0.00 52.86 50.12 3mbh s ASN 47 Cb 0.16 0.48 0.13 0.00 1.28 0.00 0.00 41.25 43.30 3mbh s ASN 47 CO 0.77 -0.89 1.10 -1.38 -2.04 0.00 0.00 177.10 174.65 3mbh s HIS 48 N -3.23 2.12 -1.67 1.54 -3.43 -1.26 -4.84 115.29 104.52 3mbh s HIS 48 Ca 0.13 1.45 0.09 0.00 -0.80 0.00 0.00 55.06 55.93 3mbh s HIS 48 Cb -0.01 -3.16 0.31 0.00 -1.43 0.00 0.00 32.58 28.28 3mbh s HIS 48 CO 0.02 -2.49 1.20 0.25 -2.00 0.00 0.00 174.74 171.72 3mbh n THR 49 N -3.98 0.63 1.18 -5.38 -2.24 -1.26 -3.11 114.28 100.13 3mbh n THR 49 Ca 0.08 -0.48 0.12 0.00 -2.27 0.00 0.00 64.05 61.50 3mbh n THR 49 Cb 0.54 0.07 0.25 0.00 -2.10 0.00 0.00 70.33 69.08 3mbh n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mbh n GLN 50 N 0.42 1.34 -1.65 -0.78 6.02 -1.26 -4.59 117.38 116.87 3mbh n GLN 50 Ca 0.11 -0.96 -0.31 0.00 -0.01 0.00 0.00 57.00 55.84 3mbh n GLN 50 Cb 0.37 -1.48 0.04 0.00 1.02 0.00 0.00 30.24 30.20 3mbh n GLN 50 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 3mbh s TYR 51 N -2.32 3.09 0.29 1.08 2.02 -1.18 -4.98 117.35 115.35 3mbh s TYR 51 Ca 0.26 1.44 0.15 0.00 -0.37 0.00 0.00 57.07 58.54 3mbh s TYR 51 Cb 0.19 -2.90 0.67 0.00 -0.40 0.00 0.00 41.96 39.52 3mbh s TYR 51 CO 0.47 -1.21 1.76 -1.00 -1.57 0.00 0.00 175.55 174.00 3mbh h PRO 52 N -0.54 0.00 -5.15 -1.71 0.13 -1.89 -3.44 132.00 119.40 3mbh h PRO 52 Ca -0.44 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.33 3mbh h PRO 52 Cb 1.21 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.17 3mbh h PRO 52 CO 0.57 0.42 -0.74 0.20 -0.23 0.00 0.00 178.00 178.22 3mbh s GLY 53 N -4.36 0.96 -0.18 1.56 0.00 -1.26 -5.15 107.32 98.90 3mbh s GLY 53 Ca -0.02 -1.27 -0.29 0.00 0.00 0.00 0.00 44.72 43.15 3mbh s GLY 53 CO 0.71 -1.34 0.93 -0.11 0.00 0.00 0.00 173.10 173.29 3mbh s PHE 54 N -2.44 -0.48 0.53 1.90 -0.71 -1.26 -4.88 117.98 110.63 3mbh s PHE 54 Ca 0.08 0.96 -0.16 0.00 -1.04 0.00 0.00 56.93 56.76 3mbh s PHE 54 Cb -0.03 0.41 -0.07 0.00 -1.21 0.00 0.00 43.02 42.12 3mbh s PHE 54 CO 0.01 -0.36 1.00 -1.54 -1.34 0.00 0.00 175.22 172.99 3mbh s SER 55 N -0.66 6.41 -0.15 1.98 1.04 -1.26 -4.95 113.70 116.11 3mbh s SER 55 Ca -0.02 1.63 -0.06 0.00 0.48 0.00 0.00 55.95 57.98 3mbh s SER 55 Cb -0.02 -2.52 0.07 0.00 0.10 0.00 0.00 66.02 63.65 3mbh s SER 55 CO 0.01 -0.73 0.32 0.12 0.98 0.00 0.00 173.24 173.94 3mbh s PHE 56 N -2.58 -0.53 -0.21 5.02 5.36 -1.26 -3.56 117.98 120.23 3mbh s PHE 56 Ca 0.60 1.13 0.01 0.00 -0.96 0.00 0.00 56.93 57.71 3mbh s PHE 56 Cb -0.11 0.11 0.04 0.00 -0.34 0.00 0.00 43.02 42.71 3mbh s PHE 56 CO 0.33 -0.37 -0.13 -1.17 -1.46 0.00 0.00 175.22 172.42 3mbh s LEU 57 N 2.14 2.52 -0.14 6.12 2.96 0.89 -4.99 118.68 128.18 3mbh s LEU 57 Ca -0.03 -0.95 -0.29 0.00 -0.22 0.00 0.00 54.13 52.64 3mbh s LEU 57 Cb -0.11 -1.37 -0.02 0.00 0.50 0.00 0.00 46.19 45.19 3mbh s LEU 57 CO -0.10 -0.12 1.22 -0.62 -1.32 0.00 0.00 176.35 175.41 3mbh s ASP 58 N 1.30 7.00 -0.36 3.68 -1.08 -1.26 -1.07 116.67 124.87 3mbh s ASP 58 Ca -0.01 1.70 0.08 0.00 -0.52 0.00 0.00 52.55 53.79 3mbh s ASP 58 Cb -0.16 -2.54 0.70 0.00 -1.46 0.00 0.00 42.92 39.46 3mbh s ASP 58 CO -0.09 -0.69 1.82 0.18 0.52 0.00 0.00 175.17 176.91 3mbh n LEU 59 N 6.11 6.16 -0.18 -1.34 4.77 -0.75 -4.61 117.00 127.17 3mbh n LEU 59 Ca 0.13 -3.39 -0.01 0.00 -0.03 0.00 0.00 56.01 52.71 3mbh n LEU 59 Cb 0.45 -0.77 0.08 0.00 -2.33 0.00 0.00 43.42 40.86 3mbh n LEU 59 CO 0.55 0.92 0.92 0.74 -1.33 0.00 0.00 177.39 179.18 3mbh h THR 60 N 1.99 0.69 0.00 -5.08 2.02 -1.90 -1.72 112.91 108.91 3mbh h THR 60 Ca 0.39 -0.09 -0.04 0.00 0.77 0.00 0.00 66.41 67.44 3mbh h THR 60 Cb 2.47 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 69.29 3mbh h THR 60 CO 0.84 0.05 -0.19 0.44 0.37 0.00 0.00 175.52 177.02 3mbh h ASP 61 N 0.25 0.00 -0.15 4.18 3.32 -1.97 -3.37 116.42 118.68 3mbh h ASP 61 Ca 0.28 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.17 3mbh h ASP 61 Cb 0.39 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.88 3mbh h ASP 61 CO -0.36 0.19 -0.08 1.21 -1.72 0.00 0.00 179.24 178.49 3mbh n GLU 62 N -3.30 1.63 0.00 3.56 4.07 -0.65 -4.34 120.64 121.61 3mbh n GLU 62 Ca 0.01 -0.81 0.00 0.00 -0.06 0.00 0.00 57.16 56.30 3mbh n GLU 62 Cb 0.45 -1.59 0.00 0.00 -0.06 0.00 0.00 31.44 30.24 3mbh n GLU 62 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 3mbh n PRO 64 N 1.73 0.00 -0.12 5.31 -0.02 -1.26 -1.75 135.00 138.89 3mbh n PRO 64 Ca 0.26 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.64 3mbh n PRO 64 Cb 0.69 0.00 0.03 0.00 -0.02 0.00 0.00 33.50 34.20 3mbh n PRO 64 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3mbh h LYS 65 N 0.00 0.88 -0.14 -0.52 1.57 -1.93 -0.48 116.57 115.94 3mbh h LYS 65 Ca 0.00 -0.39 -0.04 0.00 -1.87 0.00 0.00 60.65 58.35 3mbh h LYS 65 Cb 0.00 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 3mbh h LYS 65 CO 0.00 1.04 -0.05 0.82 -0.57 0.00 0.00 179.45 180.68 3mbh h ILE 66 N 0.75 1.30 -0.56 1.86 2.04 -1.71 -2.46 117.51 118.73 3mbh h ILE 66 Ca 0.09 -1.06 0.04 0.00 1.00 0.00 0.00 64.86 64.93 3mbh h ILE 66 Cb 0.82 1.70 -0.04 0.00 -0.74 0.00 0.00 36.82 38.56 3mbh h ILE 66 CO 0.07 0.31 0.31 0.40 0.00 0.00 0.00 178.15 179.24 3mbh h ILE 67 N -0.03 0.99 -0.68 -0.67 2.04 -1.80 -1.52 117.51 115.84 3mbh h ILE 67 Ca 0.03 -0.21 0.08 0.00 1.00 0.00 0.00 64.86 65.77 3mbh h ILE 67 Cb 0.51 0.34 -0.06 0.00 -0.74 0.00 0.00 36.82 36.86 3mbh h ILE 67 CO 0.02 0.11 0.35 0.00 0.00 0.00 0.00 178.15 178.63 3mbh h ALA 68 N 1.28 0.93 -0.55 1.87 0.00 -0.97 -1.63 119.26 120.19 3mbh h ALA 68 Ca 0.24 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 3mbh h ALA 68 Cb 0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3mbh h ALA 68 CO -0.14 -0.02 0.01 0.93 0.00 0.00 0.00 179.25 180.03 3mbh h GLU 69 N 0.62 0.97 -0.59 0.00 4.39 -0.93 -1.82 114.58 117.23 3mbh h GLU 69 Ca 0.32 -0.30 0.07 0.00 0.34 0.00 0.00 59.36 59.79 3mbh h GLU 69 Cb 0.29 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 3mbh h GLU 69 CO -0.23 0.97 0.39 -1.49 -1.16 0.00 0.00 179.01 177.49 3mbh h TRP 70 N 0.85 0.53 -0.16 4.33 6.55 -0.71 0.84 115.95 128.19 3mbh h TRP 70 Ca 0.16 0.01 -0.16 0.00 0.95 0.00 0.00 58.89 59.85 3mbh h TRP 70 Cb 0.53 -0.18 -0.01 0.00 -0.86 0.00 0.00 29.16 28.64 3mbh h TRP 70 CO 0.04 0.28 -0.56 0.87 -1.05 0.00 0.00 178.44 178.02 3mbh h LYS 71 N 0.52 0.49 -0.53 0.49 1.57 -0.82 -1.59 116.57 116.70 3mbh h LYS 71 Ca 0.26 -0.31 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 3mbh h LYS 71 Cb 0.34 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 3mbh h LYS 71 CO -0.07 0.92 0.07 0.87 -0.57 0.00 0.00 179.45 180.67 3mbh h LYS 72 N 0.37 0.85 0.00 3.15 1.57 -0.30 -2.35 116.57 119.87 3mbh h LYS 72 Ca 0.00 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 3mbh h LYS 72 Cb 1.09 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.29 3mbh h LYS 72 CO 0.10 0.80 0.00 1.28 -0.57 0.00 0.00 179.45 181.06 3mbh n LEU 73 N -4.24 0.00 -1.92 2.94 4.77 0.13 -4.90 117.00 113.79 3mbh n LEU 73 Ca 0.03 0.38 -0.18 0.00 -0.03 0.00 0.00 56.01 56.21 3mbh n LEU 73 Cb 0.27 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 3mbh n LEU 73 CO 0.41 -0.01 -0.22 -0.62 -1.33 0.00 0.00 177.39 175.62 3mbh n GLU 74 N -1.38 -1.38 -1.92 3.23 1.02 -0.65 -4.94 120.64 114.63 3mbh n GLU 74 Ca 0.11 0.89 -0.41 0.00 -0.02 0.00 0.00 57.16 57.73 3mbh n GLU 74 Cb 0.28 -5.33 -0.01 0.00 -0.02 0.00 0.00 31.44 26.36 3mbh n GLU 74 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3mbh s VAL 75 N -2.85 2.32 -0.03 2.62 0.11 -0.89 -5.02 120.40 116.66 3mbh s VAL 75 Ca 0.00 0.31 0.05 0.00 -2.93 0.00 0.00 61.98 59.41 3mbh s VAL 75 Cb 0.00 -3.20 -0.03 0.00 -1.53 0.00 0.00 36.38 31.63 3mbh s VAL 75 CO 0.00 0.07 -0.17 -1.10 -3.33 0.00 0.00 175.10 170.56 3mbh s GLN 76 N -1.68 2.35 -0.07 1.54 -1.52 -1.26 -4.92 119.66 114.09 3mbh s GLN 76 Ca 0.53 -0.79 0.03 0.00 -1.95 0.00 0.00 55.36 53.18 3mbh s GLN 76 Cb -0.44 -2.27 -0.02 0.00 -0.22 0.00 0.00 33.01 30.05 3mbh s GLN 76 CO 0.57 0.60 -0.15 -0.06 -0.25 0.00 0.00 175.29 175.99 3mbh s PHE 77 N -0.74 2.71 0.04 0.91 0.08 -1.26 -4.78 117.98 114.93 3mbh s PHE 77 Ca 0.12 -0.34 0.09 0.00 0.12 0.00 0.00 56.93 56.92 3mbh s PHE 77 Cb -0.10 -1.69 -0.14 0.00 -0.57 0.00 0.00 43.02 40.52 3mbh s PHE 77 CO 0.01 0.04 1.27 -0.44 -0.10 0.00 0.00 175.22 176.00 3mbh h ASP 78 N 5.79 0.00 -5.08 1.36 3.32 -1.47 -3.44 116.42 116.90 3mbh h ASP 78 Ca -0.39 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.55 3mbh h ASP 78 Cb 1.17 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.55 3mbh h ASP 78 CO 0.51 0.87 -0.38 0.00 -1.72 0.00 0.00 179.24 178.53 3mbh s ALA 79 N -2.77 -0.38 -0.09 3.45 0.00 -1.06 -1.96 121.76 118.95 3mbh s ALA 79 Ca 0.01 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.70 3mbh s ALA 79 Cb 0.09 0.30 0.02 0.00 0.00 0.00 0.00 23.12 23.53 3mbh s ALA 79 CO 0.80 -0.38 -0.11 0.42 0.00 0.00 0.00 175.76 176.50 3mbh s ILE 80 N -2.67 1.12 -0.21 0.00 1.01 -0.55 -1.45 121.20 118.45 3mbh s ILE 80 Ca -0.04 -0.42 -0.02 0.00 0.00 0.00 0.00 60.65 60.16 3mbh s ILE 80 Cb -0.01 -1.06 0.07 0.00 0.01 0.00 0.00 42.46 41.47 3mbh s ILE 80 CO -0.04 0.36 0.04 -0.47 0.00 0.00 0.00 174.94 174.83 3mbh s TYR 81 N 1.05 1.14 0.07 3.97 5.04 -0.05 -0.35 117.35 128.21 3mbh s TYR 81 Ca -0.07 -1.00 0.02 0.00 -2.44 0.00 0.00 57.07 53.58 3mbh s TYR 81 Cb -0.15 -1.13 -0.04 0.00 0.35 0.00 0.00 41.96 41.00 3mbh s TYR 81 CO -0.01 -0.66 0.12 0.95 -1.34 0.00 0.00 175.55 174.61 3mbh s THR 82 N 1.82 4.79 0.00 4.34 -4.23 -0.22 -0.46 115.64 121.68 3mbh s THR 82 Ca 0.00 -0.65 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 3mbh s THR 82 Cb -0.17 -3.32 0.00 0.00 1.34 0.00 0.00 72.50 70.35 3mbh s THR 82 CO -0.11 0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 3mbh n GLY 83 N 0.43 4.64 3.68 3.99 0.00 -0.00 -0.93 105.19 117.00 3mbh n GLY 83 Ca -0.08 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 3mbh n GLY 83 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3mbh n TYR 84 N 0.00 2.60 -4.18 1.61 4.19 -1.26 -4.46 117.16 115.66 3mbh n TYR 84 Ca 0.00 -0.19 -0.29 0.00 3.31 0.00 0.00 57.90 60.73 3mbh n TYR 84 Cb 0.00 -2.75 -0.08 0.00 0.49 0.00 0.00 39.34 37.00 3mbh n TYR 84 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 3mbh s LEU 85 N 3.10 3.30 0.13 2.98 1.43 -1.26 -3.44 118.68 124.92 3mbh s LEU 85 Ca 0.84 -0.31 0.24 0.00 -1.03 0.00 0.00 54.13 53.86 3mbh s LEU 85 Cb -0.48 -2.02 0.31 0.00 0.03 0.00 0.00 46.19 44.04 3mbh s LEU 85 CO 0.39 0.14 1.30 1.23 0.23 0.00 0.00 176.35 179.64 3mbh h GLY 86 N 3.21 0.00 -3.12 -3.19 0.00 -1.95 -3.47 103.07 94.54 3mbh h GLY 86 Ca -0.48 0.00 0.03 0.00 0.00 0.00 0.00 47.33 46.88 3mbh h GLY 86 CO 0.57 0.00 0.32 -1.35 0.00 0.00 0.00 176.54 176.08 3mbh s SER 87 N -4.36 -0.49 0.55 0.19 1.04 -1.26 -4.89 113.70 104.48 3mbh s SER 87 Ca 0.06 -0.01 0.23 0.00 0.48 0.00 0.00 55.95 56.71 3mbh s SER 87 Cb 0.13 0.52 1.50 0.00 0.10 0.00 0.00 66.02 68.26 3mbh s SER 87 CO 0.73 -0.84 2.16 -0.65 0.98 0.00 0.00 173.24 175.61 3mbh h PRO 88 N 2.00 0.00 0.00 4.02 0.11 -1.91 -1.61 132.00 134.62 3mbh h PRO 88 Ca -0.29 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 3mbh h PRO 88 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 3mbh h PRO 88 CO 0.35 0.00 -0.05 0.00 -0.21 0.00 0.00 178.00 178.09 3mbh h ARG 89 N 0.00 0.00 0.00 1.05 3.08 -1.96 -2.15 114.38 114.41 3mbh h ARG 89 Ca 0.04 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 3mbh h ARG 89 Cb 0.18 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 3mbh h ARG 89 CO -0.00 0.05 -0.16 1.96 -1.07 0.00 0.00 179.97 180.75 3mbh h GLN 90 N 0.00 0.00 -0.59 0.04 4.20 -1.68 -3.21 115.11 113.87 3mbh h GLN 90 Ca -0.00 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.74 3mbh h GLN 90 Cb 0.15 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 3mbh h GLN 90 CO 0.01 0.16 0.35 0.82 -0.67 0.00 0.00 178.83 179.49 3mbh h ILE 91 N 0.00 1.04 -0.63 2.54 5.03 -1.55 0.72 117.51 124.66 3mbh h ILE 91 Ca -0.00 -0.23 -0.05 0.00 -0.12 0.00 0.00 64.86 64.45 3mbh h ILE 91 Cb 0.52 0.30 -0.03 0.00 -3.03 0.00 0.00 36.82 34.59 3mbh h ILE 91 CO 0.02 0.12 0.18 -0.61 -0.68 0.00 0.00 178.15 177.19 3mbh h GLN 92 N 0.68 0.97 -0.02 2.37 5.75 -1.77 0.17 115.11 123.25 3mbh h GLN 92 Ca 0.24 -0.20 -0.00 0.00 -0.15 0.00 0.00 58.65 58.55 3mbh h GLN 92 Cb 0.06 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 28.46 3mbh h GLN 92 CO -0.12 0.84 0.01 0.82 -2.65 0.00 0.00 178.83 177.73 3mbh h ILE 93 N 0.93 1.09 -0.51 2.39 2.04 -1.44 -1.18 117.51 120.83 3mbh h ILE 93 Ca 0.21 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 3mbh h ILE 93 Cb 0.29 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 3mbh h ILE 93 CO -0.01 0.07 0.13 0.58 0.00 0.00 0.00 178.15 178.92 3mbh h VAL 94 N -0.08 1.24 -0.76 1.67 2.07 -0.58 -0.23 116.25 119.58 3mbh h VAL 94 Ca 0.01 -0.84 0.05 0.00 0.82 0.00 0.00 66.70 66.74 3mbh h VAL 94 Cb 0.10 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 3mbh h VAL 94 CO -0.00 0.30 0.46 0.28 0.02 0.00 0.00 177.57 178.63 3mbh h SER 95 N 0.71 0.71 -0.25 0.57 0.02 -0.58 -1.05 113.55 113.68 3mbh h SER 95 Ca 0.16 0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 61.00 3mbh h SER 95 Cb 0.32 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 3mbh h SER 95 CO 0.00 0.46 -0.29 0.44 -1.14 0.00 0.00 176.83 176.30 3mbh h ASP 96 N 0.85 0.78 -0.12 3.07 3.32 -1.03 -0.61 116.42 122.67 3mbh h ASP 96 Ca 0.33 -0.31 0.01 0.00 0.02 0.00 0.00 57.03 57.08 3mbh h ASP 96 Cb 0.14 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3mbh h ASP 96 CO -0.16 1.02 0.06 0.15 -1.72 0.00 0.00 179.24 178.59 3mbh h PHE 97 N 0.64 0.11 -0.14 4.55 3.57 -0.63 0.63 116.94 125.67 3mbh h PHE 97 Ca 0.08 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.58 3mbh h PHE 97 Cb 0.81 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 3mbh h PHE 97 CO 0.04 0.07 0.08 0.82 -2.23 0.00 0.00 178.31 177.09 3mbh h ILE 98 N 0.13 1.02 -0.73 1.41 2.04 -1.09 -0.80 117.51 119.49 3mbh h ILE 98 Ca 0.05 -0.06 0.15 0.00 1.00 0.00 0.00 64.86 66.00 3mbh h ILE 98 Cb 0.01 0.83 -0.10 0.00 -0.74 0.00 0.00 36.82 36.82 3mbh h ILE 98 CO -0.03 0.03 0.24 0.50 0.00 0.00 0.00 178.15 178.89 3mbh h LYS 99 N 0.18 0.35 0.00 2.37 3.64 -0.91 0.15 116.57 122.33 3mbh h LYS 99 Ca 0.05 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.29 3mbh h LYS 99 Cb -0.01 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 3mbh h LYS 99 CO -0.02 0.23 -0.71 -0.44 -2.27 0.00 0.00 179.45 176.24 3mbh h ASP 100 N 0.36 0.00 -0.00 4.20 3.32 -0.58 -3.36 116.42 120.35 3mbh h ASP 100 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 3mbh h ASP 100 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 3mbh h ASP 100 CO -0.45 0.53 -0.31 0.49 -1.72 0.00 0.00 179.24 177.78 3mbh n PHE 101 N -3.15 0.00 -2.20 4.55 3.01 -0.33 -5.00 117.46 114.33 3mbh n PHE 101 Ca -0.00 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.05 3mbh n PHE 101 Cb 0.76 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.20 3mbh n PHE 101 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 3mbh s ARG 102 N -1.57 4.42 0.31 -1.08 1.70 0.49 -4.59 118.95 118.63 3mbh s ARG 102 Ca 0.05 2.12 0.11 0.00 -0.47 0.00 0.00 55.73 57.53 3mbh s ARG 102 Cb 0.07 -3.10 -0.06 0.00 -0.57 0.00 0.00 34.95 31.29 3mbh s ARG 102 CO 0.29 -0.09 -0.12 -0.65 -1.08 0.00 0.00 175.30 173.65 3mbh s GLN 103 N -1.72 1.82 0.35 3.89 -0.21 -1.26 -5.01 119.66 117.53 3mbh s GLN 103 Ca 0.48 -1.80 0.09 0.00 0.02 0.00 0.00 55.36 54.15 3mbh s GLN 103 Cb -0.38 -1.80 0.82 0.00 1.00 0.00 0.00 33.01 32.65 3mbh s GLN 103 CO 0.50 0.24 1.86 -1.35 -2.12 0.00 0.00 175.29 174.43 3mbh h PRO 104 N 2.10 0.67 -0.26 2.91 0.11 -1.99 -0.28 132.00 135.26 3mbh h PRO 104 Ca -0.41 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3mbh h PRO 104 Cb 1.25 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3mbh h PRO 104 CO 0.64 0.45 0.00 -0.25 -0.21 0.00 0.00 178.00 178.63 3mbh n ASP 105 N -4.57 1.73 -4.76 -2.05 8.00 -1.26 -4.95 116.55 108.69 3mbh n ASP 105 Ca 0.18 -1.86 -0.38 0.00 0.71 0.00 0.00 54.79 53.43 3mbh n ASP 105 Cb 0.49 -0.17 0.03 0.00 -0.02 0.00 0.00 41.12 41.44 3mbh n ASP 105 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3mbh s SER 106 N -1.25 5.54 -0.28 -2.24 0.01 -0.12 -4.97 113.70 110.38 3mbh s SER 106 Ca 0.27 2.68 -0.07 0.00 1.31 0.00 0.00 55.95 60.15 3mbh s SER 106 Cb 0.14 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.75 3mbh s SER 106 CO 0.20 -1.38 0.07 -0.22 0.41 0.00 0.00 173.24 172.32 3mbh s LEU 107 N -3.31 3.73 -0.31 2.44 2.96 -0.83 -4.94 118.68 118.42 3mbh s LEU 107 Ca 0.68 -0.63 -0.09 0.00 -0.22 0.00 0.00 54.13 53.87 3mbh s LEU 107 Cb -0.38 -1.87 -0.00 0.00 0.50 0.00 0.00 46.19 44.43 3mbh s LEU 107 CO 0.46 -0.16 0.13 -0.63 -1.32 0.00 0.00 176.35 174.83 3mbh s ILE 108 N 1.51 4.41 -0.15 6.68 -1.09 -1.26 -1.48 121.20 129.82 3mbh s ILE 108 Ca 0.03 -0.53 0.01 0.00 -2.23 0.00 0.00 60.65 57.94 3mbh s ILE 108 Cb -0.17 -3.27 0.00 0.00 -1.58 0.00 0.00 42.46 37.45 3mbh s ILE 108 CO 0.02 0.05 -0.17 -0.69 -1.23 0.00 0.00 174.94 172.92 3mbh s VAL 109 N 1.58 2.49 -0.20 2.92 1.01 0.52 -0.90 120.40 127.82 3mbh s VAL 109 Ca 0.04 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.20 3mbh s VAL 109 Cb -0.17 -2.04 0.03 0.00 0.00 0.00 0.00 36.38 34.20 3mbh s VAL 109 CO 0.05 0.53 -0.16 0.00 0.00 0.00 0.00 175.10 175.51 3mbh s ALA 110 N 0.80 2.29 -0.40 5.51 0.00 0.20 -1.06 121.76 129.11 3mbh s ALA 110 Ca -0.06 -1.31 -0.24 0.00 0.00 0.00 0.00 51.96 50.35 3mbh s ALA 110 Cb -0.15 -1.27 0.02 0.00 0.00 0.00 0.00 23.12 21.71 3mbh s ALA 110 CO -0.00 -0.60 0.84 0.34 0.00 0.00 0.00 175.76 176.34 3mbh s ASP 111 N 1.28 6.54 -1.33 0.00 -1.08 -0.10 -2.77 116.67 119.21 3mbh s ASP 111 Ca 0.01 0.26 -0.14 0.00 -0.52 0.00 0.00 52.55 52.16 3mbh s ASP 111 Cb -0.15 -2.42 0.10 0.00 -1.46 0.00 0.00 42.92 38.99 3mbh s ASP 111 CO -0.10 -0.86 1.87 -0.81 0.52 0.00 0.00 175.17 175.79 3mbh n PRO 112 N 6.71 3.22 -2.06 4.34 -0.04 -1.26 -4.09 135.00 141.81 3mbh n PRO 112 Ca 0.04 -3.22 -0.43 0.00 -0.04 0.00 0.00 63.50 59.85 3mbh n PRO 112 Cb 0.48 -3.21 -0.03 0.00 -0.04 0.00 0.00 33.50 30.70 3mbh n PRO 112 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3mbh s VAL 113 N 2.52 3.59 0.00 0.52 1.01 -1.26 -4.73 120.40 122.04 3mbh s VAL 113 Ca 0.46 0.64 0.00 0.00 0.00 0.00 0.00 61.98 63.08 3mbh s VAL 113 Cb 0.07 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.77 3mbh s VAL 113 CO -0.01 -0.36 0.00 0.18 0.00 0.00 0.00 175.10 174.92 3mbh n LEU 114 N 9.23 0.43 0.00 3.92 4.77 -1.26 -4.78 117.00 129.30 3mbh n LEU 114 Ca 0.20 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 3mbh n LEU 114 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3mbh n LEU 114 CO 0.67 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 3mbh n GLY 115 N 1.74 -1.49 3.82 -0.72 0.00 -1.26 -0.84 105.19 106.45 3mbh n GLY 115 Ca 0.00 -1.03 -0.06 0.00 0.00 0.00 0.00 46.02 44.93 3mbh n GLY 115 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3mbh s ASP 116 N -2.55 -0.19 -1.50 1.61 -1.08 -0.44 -4.57 116.67 107.95 3mbh s ASP 116 Ca 0.00 -0.62 -0.13 0.00 -0.52 0.00 0.00 52.55 51.28 3mbh s ASP 116 Cb 0.00 0.66 0.09 0.00 -1.46 0.00 0.00 42.92 42.21 3mbh s ASP 116 CO 0.00 -1.24 0.79 0.59 0.52 0.00 0.00 175.17 175.84 3mbh n ASN 117 N -0.63 -4.31 -0.56 -0.34 5.03 -1.26 -1.29 115.26 111.91 3mbh n ASN 117 Ca -0.05 -0.69 -0.07 0.00 0.87 0.00 0.00 54.58 54.64 3mbh n ASN 117 Cb 0.60 -3.49 -0.03 0.00 -1.02 0.00 0.00 39.78 35.84 3mbh n ASN 117 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3mbh n GLY 118 N -1.48 0.92 3.03 7.41 0.00 -1.26 -5.00 105.19 108.82 3mbh n GLY 118 Ca 0.03 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.44 3mbh n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mbh s ARG 119 N -2.40 0.34 0.56 1.61 0.52 -0.41 -5.06 118.95 114.12 3mbh s ARG 119 Ca 0.00 -0.36 -0.19 0.00 -0.52 0.00 0.00 55.73 54.66 3mbh s ARG 119 Cb 0.00 0.14 -0.05 0.00 0.52 0.00 0.00 34.95 35.56 3mbh s ARG 119 CO 0.00 -0.07 1.13 -0.51 0.02 0.00 0.00 175.30 175.87 3mbh s LEU 120 N -1.10 3.70 0.99 2.53 1.43 -1.26 -1.32 118.68 123.64 3mbh s LEU 120 Ca -0.12 2.15 -0.11 0.00 -1.03 0.00 0.00 54.13 55.02 3mbh s LEU 120 Cb -0.07 -4.58 0.18 0.00 0.03 0.00 0.00 46.19 41.76 3mbh s LEU 120 CO 0.00 -1.27 1.09 -0.31 0.23 0.00 0.00 176.35 176.09 3mbh s TYR 121 N -1.85 1.79 0.26 0.29 2.02 -0.02 -4.83 117.35 115.02 3mbh s TYR 121 Ca 0.72 1.41 -0.31 0.00 -0.37 0.00 0.00 57.07 58.52 3mbh s TYR 121 Cb -0.23 -3.19 -0.12 0.00 -0.40 0.00 0.00 41.96 38.01 3mbh s TYR 121 CO 0.29 -3.00 1.57 2.41 -1.57 0.00 0.00 175.55 175.25 3mbh n THR 122 N -4.33 0.82 -0.85 -0.71 -1.04 -1.26 -1.30 114.28 105.61 3mbh n THR 122 Ca 0.07 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 3mbh n THR 122 Cb 0.54 -1.83 0.00 0.00 -1.82 0.00 0.00 70.33 67.21 3mbh n THR 122 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3mbh n ASN 123 N 2.46 -1.58 -4.83 8.00 3.02 -1.26 -4.99 115.26 116.07 3mbh n ASN 123 Ca 0.11 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.32 3mbh n ASN 123 Cb 0.35 -1.41 -0.06 0.00 -0.61 0.00 0.00 39.78 38.04 3mbh n ASN 123 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3mbh s PHE 124 N -2.23 3.46 0.00 3.10 0.40 -0.42 -5.14 117.98 117.15 3mbh s PHE 124 Ca 0.00 1.34 0.00 0.00 -0.60 0.00 0.00 56.93 57.67 3mbh s PHE 124 Cb 0.00 -2.61 0.00 0.00 0.51 0.00 0.00 43.02 40.92 3mbh s PHE 124 CO 0.00 0.15 0.00 -0.40 0.70 0.00 0.00 175.22 175.67 3mbh n ASP 125 N -0.03 0.00 -1.70 1.36 5.68 -1.26 -4.85 116.55 115.75 3mbh n ASP 125 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.31 3mbh n ASP 125 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 3mbh n ASP 125 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 3mbh n GLU 127 N -0.24 -1.99 0.00 0.11 2.13 -1.26 -4.77 120.64 114.63 3mbh n GLU 127 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3mbh n GLU 127 Cb 0.00 -3.81 0.00 0.00 0.27 0.00 0.00 31.44 27.90 3mbh n GLU 127 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3mbh n VAL 129 N -1.67 0.00 -0.14 6.31 0.31 -1.26 -1.98 118.33 119.90 3mbh n VAL 129 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 3mbh n VAL 129 Cb 0.26 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.21 3mbh n VAL 129 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3mbh h LYS 130 N 0.00 0.52 -1.84 5.55 1.57 -1.93 -1.11 116.57 119.32 3mbh h LYS 130 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3mbh h LYS 130 Cb 0.00 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.19 3mbh h LYS 130 CO 0.00 0.34 0.00 0.39 -0.57 0.00 0.00 179.45 179.61 3mbh n GLU 131 N -4.83 0.35 0.00 3.15 -0.58 -0.84 -3.08 120.64 114.81 3mbh n GLU 131 Ca 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 3mbh n GLU 131 Cb 0.06 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 3mbh n GLU 131 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3mbh n ARG 133 N 1.38 0.00 -0.07 3.49 1.74 -0.42 -1.56 116.66 121.22 3mbh n ARG 133 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 3mbh n ARG 133 Cb 0.18 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.57 3mbh n ARG 133 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3mbh h HIS 134 N 0.00 0.40 -0.93 -1.55 2.76 -1.82 -3.31 115.15 110.70 3mbh h HIS 134 Ca 0.00 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.10 3mbh h HIS 134 Cb 0.00 -0.11 -0.05 0.00 1.55 0.00 0.00 27.41 28.81 3mbh h HIS 134 CO 0.00 0.55 0.59 1.25 -1.30 0.00 0.00 177.93 179.02 3mbh h LEU 135 N 0.14 1.09 -2.04 0.26 5.85 -1.61 -2.29 115.31 116.71 3mbh h LEU 135 Ca 0.06 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 3mbh h LEU 135 Cb 0.39 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 3mbh h LEU 135 CO 0.01 0.82 -0.09 0.16 -0.34 0.00 0.00 178.44 179.00 3mbh h ILE 136 N 1.27 0.50 0.00 4.05 3.07 -1.85 -1.54 117.51 123.01 3mbh h ILE 136 Ca 0.34 -0.42 0.00 0.00 1.55 0.00 0.00 64.86 66.33 3mbh h ILE 136 Cb -0.10 1.28 0.00 0.00 -0.27 0.00 0.00 36.82 37.73 3mbh h ILE 136 CO -0.07 0.09 0.00 0.71 -1.05 0.00 0.00 178.15 177.83 3mbh h THR 137 N 0.00 0.00 -0.00 0.16 1.35 -1.52 -2.51 112.91 110.38 3mbh h THR 137 Ca -0.00 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 3mbh h THR 137 Cb 0.27 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 3mbh h THR 137 CO 0.01 0.00 -0.45 0.29 -0.25 0.00 0.00 175.52 175.12 3mbh n LYS 138 N -2.77 0.24 -3.67 4.72 4.76 -0.58 -4.57 118.16 116.28 3mbh n LYS 138 Ca -0.01 -0.14 -0.29 0.00 -2.87 0.00 0.00 58.31 55.00 3mbh n LYS 138 Cb 0.13 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 31.79 3mbh n LYS 138 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3mbh s ALA 139 N -2.86 3.81 -0.07 7.82 0.00 -0.95 -4.95 121.76 124.56 3mbh s ALA 139 Ca 0.15 -0.71 0.12 0.00 0.00 0.00 0.00 51.96 51.52 3mbh s ALA 139 Cb 0.18 -2.06 -0.23 0.00 0.00 0.00 0.00 23.12 21.01 3mbh s ALA 139 CO 0.66 0.53 0.55 -0.25 0.00 0.00 0.00 175.76 177.25 3mbh n ASP 140 N -0.34 0.84 -3.88 0.00 8.00 -0.08 -3.00 116.55 118.09 3mbh n ASP 140 Ca -0.04 0.34 -0.21 0.00 0.71 0.00 0.00 54.79 55.59 3mbh n ASP 140 Cb 0.53 0.04 -0.17 0.00 -0.02 0.00 0.00 41.12 41.50 3mbh n ASP 140 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3mbh s VAL 141 N -2.58 0.57 0.10 2.53 1.01 -0.87 -1.18 120.40 119.98 3mbh s VAL 141 Ca -0.07 -0.11 0.06 0.00 0.00 0.00 0.00 61.98 61.86 3mbh s VAL 141 Cb 0.08 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 3mbh s VAL 141 CO 0.82 0.24 -0.16 0.27 0.00 0.00 0.00 175.10 176.27 3mbh s ILE 142 N 1.10 1.39 -0.34 2.22 -4.36 -0.72 -0.63 121.20 119.86 3mbh s ILE 142 Ca -0.08 -1.55 0.15 0.00 -0.26 0.00 0.00 60.65 58.91 3mbh s ILE 142 Cb -0.14 -1.41 0.45 0.00 1.25 0.00 0.00 42.46 42.62 3mbh s ILE 142 CO -0.01 -0.25 0.99 0.35 0.24 0.00 0.00 174.94 176.26 3mbh n THR 143 N 0.91 1.31 -1.69 8.37 -2.24 -1.11 -0.83 114.28 118.99 3mbh n THR 143 Ca -0.18 -3.44 -0.42 0.00 -2.27 0.00 0.00 64.05 57.74 3mbh n THR 143 Cb 0.55 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 3mbh n THR 143 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3mbh n PRO 144 N -0.18 1.97 -1.60 -0.78 -0.04 -1.07 -4.62 135.00 128.69 3mbh n PRO 144 Ca 0.15 0.70 -0.29 0.00 -0.04 0.00 0.00 63.50 64.02 3mbh n PRO 144 Cb 0.79 -2.34 0.17 0.00 -0.04 0.00 0.00 33.50 32.08 3mbh n PRO 144 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3mbh s ASN 145 N -0.46 2.91 0.36 3.54 2.20 -1.26 -1.42 114.94 120.82 3mbh s ASN 145 Ca 0.59 0.65 0.05 0.00 -0.94 0.00 0.00 52.86 53.22 3mbh s ASN 145 Cb -0.53 -0.98 0.70 0.00 -2.00 0.00 0.00 41.25 38.44 3mbh s ASN 145 CO 0.60 -2.89 1.94 0.25 -2.94 0.00 0.00 177.10 174.05 3mbh h LEU 146 N -1.74 0.47 -0.60 3.54 5.85 -1.53 0.18 115.31 121.48 3mbh h LEU 146 Ca -0.47 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.16 3mbh h LEU 146 Cb 1.29 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 3mbh h LEU 146 CO 0.49 0.48 0.27 0.74 -0.34 0.00 0.00 178.44 180.07 3mbh h THR 147 N 0.51 1.22 -0.04 1.05 2.02 -1.87 -2.67 112.91 113.13 3mbh h THR 147 Ca 0.12 -0.66 -0.18 0.00 0.77 0.00 0.00 66.41 66.46 3mbh h THR 147 Cb 0.19 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 3mbh h THR 147 CO -0.00 0.26 -0.77 -0.33 0.37 0.00 0.00 175.52 175.04 3mbh h GLU 148 N 0.83 0.28 -0.10 6.66 5.08 -1.52 -2.80 114.58 123.01 3mbh h GLU 148 Ca 0.20 -0.25 0.04 0.00 -1.00 0.00 0.00 59.36 58.35 3mbh h GLU 148 Cb 0.16 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.41 3mbh h GLU 148 CO -0.02 0.92 -0.25 1.25 -1.00 0.00 0.00 179.01 179.91 3mbh h LEU 149 N 0.18 -0.77 -0.51 1.33 5.85 -0.37 0.22 115.31 121.24 3mbh h LEU 149 Ca -0.03 0.12 -0.14 0.00 0.84 0.00 0.00 57.88 58.66 3mbh h LEU 149 Cb 1.36 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 42.71 3mbh h LEU 149 CO 0.12 -0.31 -0.33 -0.26 -0.34 0.00 0.00 178.44 177.33 3mbh h PHE 150 N -0.33 1.01 -0.81 1.25 0.04 -1.38 0.37 116.94 117.08 3mbh h PHE 150 Ca 0.09 -0.28 0.05 0.00 2.80 0.00 0.00 57.97 60.63 3mbh h PHE 150 Cb 0.47 -0.22 -0.05 0.00 2.20 0.00 0.00 35.95 38.34 3mbh h PHE 150 CO -0.34 1.07 0.51 1.88 -0.60 0.00 0.00 178.31 180.83 3mbh h TYR 151 N 0.72 0.95 -0.55 -0.55 0.05 -1.25 0.24 116.97 116.57 3mbh h TYR 151 Ca 0.07 0.03 -0.10 0.00 0.05 0.00 0.00 58.73 58.78 3mbh h TYR 151 Cb 0.90 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 38.31 3mbh h TYR 151 CO 0.05 0.51 -0.05 -0.07 -1.05 0.00 0.00 178.16 177.55 3mbh h LEU 152 N 0.96 0.97 -0.06 3.88 3.38 -0.01 -2.65 115.31 121.78 3mbh h LEU 152 Ca 0.34 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3mbh h LEU 152 Cb 0.10 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3mbh h LEU 152 CO -0.15 1.05 0.00 0.18 0.09 0.00 0.00 178.44 179.62 3mbh n LEU 153 N -4.17 0.29 -3.36 1.67 4.77 0.07 -4.92 117.00 111.34 3mbh n LEU 153 Ca 0.02 0.54 -0.22 0.00 -0.03 0.00 0.00 56.01 56.31 3mbh n LEU 153 Cb 0.36 -0.46 0.07 0.00 -2.33 0.00 0.00 43.42 41.07 3mbh n LEU 153 CO 0.44 -0.14 0.21 -0.67 -1.33 0.00 0.00 177.39 175.91 3mbh n ASP 154 N -1.78 -6.12 -4.39 -1.43 2.03 0.74 -5.02 116.55 100.59 3mbh n ASP 154 Ca 0.06 -0.49 -0.23 0.00 0.52 0.00 0.00 54.79 54.65 3mbh n ASP 154 Cb 0.33 -4.76 -0.11 0.00 -0.72 0.00 0.00 41.12 35.86 3mbh n ASP 154 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3mbh s GLU 155 N -6.19 1.42 0.34 -0.67 0.41 -0.67 -5.03 118.70 108.31 3mbh s GLU 155 Ca 0.53 -1.52 -0.29 0.00 -0.41 0.00 0.00 54.97 53.28 3mbh s GLU 155 Cb -0.23 -1.54 -0.10 0.00 -1.78 0.00 0.00 34.13 30.47 3mbh s GLU 155 CO 0.66 0.31 1.36 -2.14 -0.49 0.00 0.00 175.26 174.96 3mbh s PRO 156 N -2.96 4.29 0.29 0.39 0.02 -1.26 -4.39 135.00 131.38 3mbh s PRO 156 Ca 0.20 2.31 -0.29 0.00 0.02 0.00 0.00 61.00 63.24 3mbh s PRO 156 Cb -0.06 -3.04 -0.13 0.00 0.02 0.00 0.00 34.50 31.29 3mbh s PRO 156 CO 0.09 -0.29 1.29 0.98 -0.33 0.00 0.00 177.00 178.74 3mbh n TYR 157 N 0.76 2.07 -3.68 6.54 9.36 -1.26 -4.98 117.16 125.97 3mbh n TYR 157 Ca 0.00 0.54 -0.19 0.00 3.32 0.00 0.00 57.90 61.57 3mbh n TYR 157 Cb 0.41 -2.40 -0.18 0.00 -0.63 0.00 0.00 39.34 36.54 3mbh n TYR 157 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 3mbh s LYS 158 N -1.28 -0.07 0.38 2.98 2.20 -1.26 -5.04 119.74 117.65 3mbh s LYS 158 Ca 0.61 0.35 0.24 0.00 -0.36 0.00 0.00 55.97 56.81 3mbh s LYS 158 Cb -0.62 -0.47 0.43 0.00 -1.51 0.00 0.00 37.83 35.66 3mbh s LYS 158 CO 0.57 -0.31 1.63 0.00 -0.36 0.00 0.00 175.35 176.88 3mbh h ALA 159 N 8.28 0.98 -3.42 3.13 0.00 -2.01 -3.42 119.26 122.80 3mbh h ALA 159 Ca -0.17 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.12 3mbh h ALA 159 Cb 1.12 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.51 3mbh h ALA 159 CO 0.20 0.00 -0.73 0.34 0.00 0.00 0.00 179.25 179.06 3mbh s ASP 160 N -5.81 4.39 0.10 0.00 2.15 -1.26 -4.61 116.67 111.64 3mbh s ASP 160 Ca 0.08 -2.05 0.09 0.00 0.43 0.00 0.00 52.55 51.10 3mbh s ASP 160 Cb 0.07 -1.30 -0.04 0.00 -0.30 0.00 0.00 42.92 41.35 3mbh s ASP 160 CO 0.66 -0.38 -0.24 -0.44 -0.17 0.00 0.00 175.17 174.60 3mbh s SER 161 N 1.06 2.95 0.77 -0.34 0.01 -1.26 -5.14 113.70 111.75 3mbh s SER 161 Ca 0.11 -0.69 -0.11 0.00 1.31 0.00 0.00 55.95 56.57 3mbh s SER 161 Cb -0.19 -0.20 0.05 0.00 0.21 0.00 0.00 66.02 65.89 3mbh s SER 161 CO -0.13 0.15 1.08 0.42 0.41 0.00 0.00 173.24 175.17 3mbh s THR 162 N -1.04 3.35 0.44 1.44 -4.23 -1.26 -4.89 115.64 109.45 3mbh s THR 162 Ca 0.11 0.44 0.13 0.00 -1.18 0.00 0.00 61.69 61.18 3mbh s THR 162 Cb -0.10 -3.15 0.32 0.00 1.34 0.00 0.00 72.50 70.91 3mbh s THR 162 CO 0.05 -0.57 2.00 0.44 -0.54 0.00 0.00 174.62 176.00 3mbh h ASP 163 N -1.01 0.35 -0.10 3.99 5.19 -2.01 -1.29 116.42 121.55 3mbh h ASP 163 Ca -0.46 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 55.81 3mbh h ASP 163 Cb 1.25 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.68 3mbh h ASP 163 CO 0.58 0.22 -0.41 -0.33 -3.12 0.00 0.00 179.24 176.18 3mbh h GLU 164 N 0.40 0.63 -0.48 3.56 4.39 -1.99 -0.76 114.58 120.33 3mbh h GLU 164 Ca 0.24 -0.33 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 3mbh h GLU 164 Cb 0.43 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 3mbh h GLU 164 CO -0.06 0.93 0.10 0.93 -1.16 0.00 0.00 179.01 179.75 3mbh h GLU 165 N 0.52 0.78 -0.65 2.33 5.08 -1.65 -2.48 114.58 118.51 3mbh h GLU 165 Ca 0.04 -0.20 0.03 0.00 -1.00 0.00 0.00 59.36 58.23 3mbh h GLU 165 Cb 0.94 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.05 3mbh h GLU 165 CO 0.08 0.77 0.40 -0.07 -1.00 0.00 0.00 179.01 179.20 3mbh h LEU 166 N 0.66 0.66 -0.78 1.33 3.38 -1.13 0.37 115.31 119.80 3mbh h LEU 166 Ca 0.15 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.17 3mbh h LEU 166 Cb 0.36 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 3mbh h LEU 166 CO 0.01 0.46 0.48 0.11 0.09 0.00 0.00 178.44 179.58 3mbh h LYS 167 N 0.79 0.87 0.49 1.13 1.57 -1.04 -0.95 116.57 119.44 3mbh h LYS 167 Ca 0.26 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 3mbh h LYS 167 Cb 0.02 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.14 3mbh h LYS 167 CO -0.10 0.58 -0.24 0.93 -0.57 0.00 0.00 179.45 180.05 3mbh h GLU 168 N 0.90 -0.63 -0.90 3.15 4.39 -0.79 -1.76 114.58 118.95 3mbh h GLU 168 Ca 0.33 0.04 0.24 0.00 0.34 0.00 0.00 59.36 60.31 3mbh h GLU 168 Cb 0.10 0.14 -0.14 0.00 -0.10 0.00 0.00 28.75 28.76 3mbh h GLU 168 CO -0.15 -0.39 0.30 1.88 -1.16 0.00 0.00 179.01 179.49 3mbh h TYR 169 N -0.73 0.46 -0.43 4.33 0.05 -0.02 0.27 116.97 120.91 3mbh h TYR 169 Ca -0.07 0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.76 3mbh h TYR 169 Cb 0.54 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.20 3mbh h TYR 169 CO -0.03 -0.19 0.27 -0.07 -1.05 0.00 0.00 178.16 177.10 3mbh h LEU 170 N 0.25 0.50 -0.42 3.88 3.38 -0.86 -2.31 115.31 119.73 3mbh h LEU 170 Ca 0.58 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.45 3mbh h LEU 170 Cb 1.17 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3mbh h LEU 170 CO -0.63 0.38 -0.01 0.03 0.09 0.00 0.00 178.44 178.30 3mbh h ARG 171 N 0.57 0.74 -0.90 1.13 2.47 -0.26 -1.16 114.38 116.98 3mbh h ARG 171 Ca 0.15 -0.24 0.16 0.00 -1.26 0.00 0.00 59.98 58.79 3mbh h ARG 171 Cb -0.04 -0.07 -0.07 0.00 -1.65 0.00 0.00 29.97 28.14 3mbh h ARG 171 CO -0.03 0.83 0.58 -0.07 0.56 0.00 0.00 179.97 181.83 3mbh h LEU 172 N 0.58 0.61 0.20 3.04 3.38 -0.79 0.59 115.31 122.92 3mbh h LEU 172 Ca 0.12 0.05 -0.28 0.00 0.09 0.00 0.00 57.88 57.85 3mbh h LEU 172 Cb 0.49 -0.07 0.03 0.00 0.09 0.00 0.00 40.66 41.20 3mbh h LEU 172 CO 0.02 0.29 -1.22 -0.07 0.09 0.00 0.00 178.44 177.55 3mbh h LEU 173 N 0.63 0.72 -1.81 1.67 3.38 -1.25 -3.23 115.31 115.41 3mbh h LEU 173 Ca 0.46 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3mbh h LEU 173 Cb 0.83 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3mbh h LEU 173 CO -0.21 1.59 0.13 -1.28 0.09 0.00 0.00 178.44 178.75 3mbh h SER 174 N -0.03 0.22 0.03 -0.43 0.87 -0.45 0.03 113.55 113.78 3mbh h SER 174 Ca -0.21 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.34 3mbh h SER 174 Cb 1.96 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 63.86 3mbh h SER 174 CO 0.23 0.16 -0.02 0.44 -0.53 0.00 0.00 176.83 177.10 3mbh h ASP 175 N 0.26 0.00 0.92 6.23 3.32 -0.93 -1.59 116.42 124.63 3mbh h ASP 175 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3mbh h ASP 175 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3mbh h ASP 175 CO -0.02 0.02 0.00 0.29 -1.72 0.00 0.00 179.24 177.82 3mbh n LYS 176 N -4.39 0.07 0.00 3.56 5.02 -0.01 -4.94 118.16 117.48 3mbh n LYS 176 Ca -0.03 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3mbh n LYS 176 Cb 0.11 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 3mbh n LYS 176 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mbh n GLY 177 N 0.88 1.02 3.66 0.72 0.00 -0.60 -4.24 105.19 106.64 3mbh n GLY 177 Ca 0.05 -0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.59 3mbh n GLY 177 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3mbh n PRO 178 N 0.00 1.89 -0.37 1.61 -0.02 -1.16 -4.91 135.00 132.03 3mbh n PRO 178 Ca 0.00 0.68 -0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3mbh n PRO 178 Cb 0.00 -2.44 0.13 0.00 -0.02 0.00 0.00 33.50 31.17 3mbh n PRO 178 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3mbh h GLN 179 N 6.55 1.26 -4.97 -0.52 4.15 -1.66 -3.40 115.11 116.53 3mbh h GLN 179 Ca -0.46 -0.08 -0.62 0.00 0.77 0.00 0.00 58.65 58.26 3mbh h GLN 179 Cb 1.28 -0.28 -0.34 0.00 0.21 0.00 0.00 27.48 28.34 3mbh h GLN 179 CO 0.89 0.83 -0.85 0.08 -1.93 0.00 0.00 178.83 177.85 3mbh s VAL 180 N -6.09 1.75 -0.07 2.39 1.01 -0.32 -1.06 120.40 117.99 3mbh s VAL 180 Ca -0.13 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.08 3mbh s VAL 180 Cb 0.19 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 35.01 3mbh s VAL 180 CO 0.82 0.49 -0.16 -0.69 0.00 0.00 0.00 175.10 175.56 3mbh s VAL 181 N 0.83 1.43 -0.09 2.92 1.01 -0.81 -1.75 120.40 123.94 3mbh s VAL 181 Ca -0.09 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.25 3mbh s VAL 181 Cb -0.16 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 34.97 3mbh s VAL 181 CO -0.00 0.42 -0.13 -0.63 0.00 0.00 0.00 175.10 174.76 3mbh s ILE 182 N 0.53 1.28 -0.24 2.22 1.01 -0.01 -1.13 121.20 124.87 3mbh s ILE 182 Ca -0.15 -0.52 -0.06 0.00 0.00 0.00 0.00 60.65 59.92 3mbh s ILE 182 Cb -0.16 -1.19 -0.02 0.00 0.01 0.00 0.00 42.46 41.10 3mbh s ILE 182 CO 0.05 0.40 0.02 -0.63 0.00 0.00 0.00 174.94 174.78 3mbh s ILE 183 N 1.01 3.91 0.43 2.92 1.01 0.25 -2.58 121.20 128.16 3mbh s ILE 183 Ca -0.07 -0.32 0.08 0.00 0.00 0.00 0.00 60.65 60.34 3mbh s ILE 183 Cb -0.15 -2.82 0.01 0.00 0.01 0.00 0.00 42.46 39.52 3mbh s ILE 183 CO -0.01 0.37 0.56 0.42 0.00 0.00 0.00 174.94 176.28 3mbh s THR 184 N 1.56 2.86 -1.50 2.92 -4.23 -0.50 -0.90 115.64 115.84 3mbh s THR 184 Ca 0.06 -1.05 -0.05 0.00 -1.18 0.00 0.00 61.69 59.47 3mbh s THR 184 Cb -0.15 -2.92 0.01 0.00 1.34 0.00 0.00 72.50 70.78 3mbh s THR 184 CO 0.01 0.00 0.65 -1.20 -0.54 0.00 0.00 174.62 173.53 3mbh n SER 185 N -1.84 -6.06 -4.65 3.99 7.64 -1.17 -1.56 113.62 109.97 3mbh n SER 185 Ca 0.08 -0.30 -0.41 0.00 1.01 0.00 0.00 58.87 59.24 3mbh n SER 185 Cb 0.60 -4.86 -0.04 0.00 -1.01 0.00 0.00 64.21 58.89 3mbh n SER 185 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3mbh s VAL 186 N -3.18 4.88 0.72 0.44 1.01 -0.29 -4.57 120.40 119.40 3mbh s VAL 186 Ca 0.32 1.53 -0.16 0.00 0.00 0.00 0.00 61.98 63.67 3mbh s VAL 186 Cb -0.14 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 3mbh s VAL 186 CO 0.40 -0.02 0.62 -2.65 0.00 0.00 0.00 175.10 173.44 3mbh n PRO 187 N 5.65 0.35 -3.96 2.72 -0.02 -1.26 0.19 135.00 138.66 3mbh n PRO 187 Ca 0.04 0.16 -0.34 0.00 -2.02 0.00 0.00 63.50 61.35 3mbh n PRO 187 Cb 0.48 -1.90 -0.14 0.00 -0.02 0.00 0.00 33.50 31.92 3mbh n PRO 187 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3mbh s VAL 188 N -1.89 2.69 -0.20 -1.45 1.01 -1.25 -4.69 120.40 114.62 3mbh s VAL 188 Ca 0.67 -1.57 -0.43 0.00 0.00 0.00 0.00 61.98 60.65 3mbh s VAL 188 Cb -0.35 -2.60 -0.20 0.00 0.00 0.00 0.00 36.38 33.23 3mbh s VAL 188 CO 0.56 -0.15 1.29 1.57 0.00 0.00 0.00 175.10 178.38 3mbh n HIS 189 N 4.53 1.12 -0.88 5.22 -0.00 -1.26 -0.62 115.22 123.34 3mbh n HIS 189 Ca -0.12 1.08 0.00 0.00 0.46 0.00 0.00 57.72 59.15 3mbh n HIS 189 Cb 0.43 -2.15 0.00 0.00 -0.12 0.00 0.00 29.99 28.14 3mbh n HIS 189 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 3mbh n ASP 190 N 2.56 -1.46 -3.47 0.26 9.92 -1.26 -4.91 116.55 118.20 3mbh n ASP 190 Ca 0.24 0.00 -0.27 0.00 -0.53 0.00 0.00 54.79 54.24 3mbh n ASP 190 Cb 0.03 -1.20 -0.10 0.00 -0.64 0.00 0.00 41.12 39.22 3mbh n ASP 190 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3mbh n GLU 191 N -1.82 1.02 0.09 -1.24 -0.58 0.21 -4.97 120.64 113.36 3mbh n GLU 191 Ca 0.00 -3.70 0.08 0.00 -0.42 0.00 0.00 57.16 53.12 3mbh n GLU 191 Cb 0.07 -1.79 0.39 0.00 -0.57 0.00 0.00 31.44 29.54 3mbh n GLU 191 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3mbh n PRO 192 N 2.03 0.10 -0.20 3.49 -0.04 -1.26 -1.80 135.00 137.32 3mbh n PRO 192 Ca 0.26 0.49 0.12 0.00 -0.04 0.00 0.00 63.50 64.33 3mbh n PRO 192 Cb 0.45 -1.76 0.22 0.00 -0.04 0.00 0.00 33.50 32.37 3mbh n PRO 192 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3mbh n HIS 193 N -1.97 0.53 -4.41 0.54 8.25 -1.26 -4.96 115.22 111.93 3mbh n HIS 193 Ca 0.01 -0.27 -0.25 0.00 -0.26 0.00 0.00 57.72 56.95 3mbh n HIS 193 Cb 0.10 -0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.12 3mbh n HIS 193 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3mbh s LYS 194 N -1.44 1.96 0.22 -0.41 1.02 -0.74 -3.58 119.74 116.77 3mbh s LYS 194 Ca 0.39 -1.78 0.02 0.00 0.02 0.00 0.00 55.97 54.62 3mbh s LYS 194 Cb 0.23 -1.86 -0.05 0.00 -0.52 0.00 0.00 37.83 35.63 3mbh s LYS 194 CO 0.31 0.19 0.05 -0.08 -0.92 0.00 0.00 175.35 174.90 3mbh s THR 195 N -2.53 0.63 0.05 2.17 -1.32 -0.48 -3.87 115.64 110.29 3mbh s THR 195 Ca 0.33 -1.99 -0.03 0.00 -1.21 0.00 0.00 61.69 58.79 3mbh s THR 195 Cb -0.01 -2.39 -0.03 0.00 -1.51 0.00 0.00 72.50 68.56 3mbh s THR 195 CO 0.18 -0.23 0.03 -0.94 -2.21 0.00 0.00 174.62 171.46 3mbh s SER 196 N -3.25 0.34 -0.07 8.08 1.04 0.13 -0.86 113.70 119.10 3mbh s SER 196 Ca 0.31 -0.79 0.03 0.00 0.48 0.00 0.00 55.95 55.98 3mbh s SER 196 Cb 0.07 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.41 3mbh s SER 196 CO 0.09 -0.57 -0.18 -0.69 0.98 0.00 0.00 173.24 172.87 3mbh s VAL 197 N -3.38 1.57 -0.04 5.02 1.01 -0.49 -1.14 120.40 122.95 3mbh s VAL 197 Ca 0.02 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.31 3mbh s VAL 197 Cb 0.04 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 3mbh s VAL 197 CO -0.08 0.45 -0.21 -0.31 0.00 0.00 0.00 175.10 174.95 3mbh s TYR 198 N 0.38 2.51 0.01 5.22 1.51 -0.08 -1.64 117.35 125.26 3mbh s TYR 198 Ca -0.13 -0.36 -0.01 0.00 -1.01 0.00 0.00 57.07 55.55 3mbh s TYR 198 Cb -0.16 -1.57 -0.01 0.00 -0.11 0.00 0.00 41.96 40.11 3mbh s TYR 198 CO 0.05 0.03 0.01 0.00 -1.11 0.00 0.00 175.55 174.53 3mbh s ALA 199 N -0.58 0.01 -0.01 3.71 0.00 0.17 -0.58 121.76 124.47 3mbh s ALA 199 Ca 0.08 -0.38 0.04 0.00 0.00 0.00 0.00 51.96 51.71 3mbh s ALA 199 Cb -0.11 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 3mbh s ALA 199 CO 0.00 -0.14 -0.13 -0.47 0.00 0.00 0.00 175.76 175.02 3mbh s TYR 200 N -1.15 1.18 -0.22 0.00 5.04 -0.28 -0.56 117.35 121.36 3mbh s TYR 200 Ca -0.13 -0.23 0.02 0.00 -2.44 0.00 0.00 57.07 54.29 3mbh s TYR 200 Cb -0.08 -0.76 0.04 0.00 0.35 0.00 0.00 41.96 41.52 3mbh s TYR 200 CO -0.00 -0.03 -0.13 1.21 -1.34 0.00 0.00 175.55 175.26 3mbh s ASN 201 N -0.27 3.72 0.33 4.32 3.84 0.99 -1.92 114.94 125.95 3mbh s ASN 201 Ca 0.04 -1.02 0.02 0.00 0.21 0.00 0.00 52.86 52.11 3mbh s ASN 201 Cb -0.05 -1.40 0.60 0.00 -0.55 0.00 0.00 41.25 39.85 3mbh s ASN 201 CO -0.00 -0.13 1.95 -0.09 -2.79 0.00 0.00 177.10 176.03 3mbh h ARG 202 N 7.89 0.90 -6.57 0.43 2.43 -1.39 -0.13 114.38 117.95 3mbh h ARG 202 Ca -0.28 -0.05 -0.53 0.00 -0.81 0.00 0.00 59.98 58.30 3mbh h ARG 202 Cb 1.09 -0.20 0.03 0.00 -0.42 0.00 0.00 29.97 30.47 3mbh h ARG 202 CO 0.50 0.60 0.86 -1.14 -1.51 0.00 0.00 179.97 179.28 3mbh s GLN 203 N -5.81 4.24 0.00 0.20 2.00 -1.26 -1.05 119.66 117.98 3mbh s GLN 203 Ca -0.11 2.29 0.00 0.00 -2.00 0.00 0.00 55.36 55.54 3mbh s GLN 203 Cb 0.19 -3.25 0.00 0.00 0.80 0.00 0.00 33.01 30.75 3mbh s GLN 203 CO 0.78 -0.59 0.00 0.41 -0.50 0.00 0.00 175.29 175.40 3mbh n GLY 204 N 3.73 0.39 3.89 2.59 0.00 -1.26 -3.82 105.19 110.71 3mbh n GLY 204 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 3mbh n GLY 204 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3mbh n ASN 205 N 0.00 -0.85 -4.59 1.61 5.15 -0.21 -4.96 115.26 111.41 3mbh n ASN 205 Ca 0.00 -0.98 -0.34 0.00 -0.60 0.00 0.00 54.58 52.66 3mbh n ASN 205 Cb 0.00 -3.22 -0.11 0.00 -0.53 0.00 0.00 39.78 35.92 3mbh n ASN 205 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3mbh s ARG 206 N -6.42 2.94 -0.09 1.20 0.52 -0.10 -4.90 118.95 112.11 3mbh s ARG 206 Ca 0.04 -0.52 0.03 0.00 -0.52 0.00 0.00 55.73 54.76 3mbh s ARG 206 Cb -0.02 -2.68 -0.02 0.00 0.52 0.00 0.00 34.95 32.76 3mbh s ARG 206 CO 0.88 0.60 -0.16 0.71 0.02 0.00 0.00 175.30 177.35 3mbh s TYR 207 N -0.64 2.69 0.09 -0.53 1.51 -1.26 -0.00 117.35 119.20 3mbh s TYR 207 Ca 0.10 -0.51 0.07 0.00 -1.01 0.00 0.00 57.07 55.71 3mbh s TYR 207 Cb -0.12 -1.71 -0.03 0.00 -0.11 0.00 0.00 41.96 39.99 3mbh s TYR 207 CO 0.02 -0.08 -0.18 -1.58 -1.11 0.00 0.00 175.55 172.62 3mbh s TRP 208 N -0.13 1.51 0.06 2.71 0.52 0.28 -1.84 118.94 122.05 3mbh s TRP 208 Ca -0.02 -0.44 0.05 0.00 0.02 0.00 0.00 56.10 55.71 3mbh s TRP 208 Cb -0.14 -0.84 -0.03 0.00 -1.15 0.00 0.00 33.47 31.32 3mbh s TRP 208 CO 0.04 0.13 -0.13 0.21 0.02 0.00 0.00 176.95 177.22 3mbh s LYS 209 N -1.83 0.80 -0.04 4.98 2.20 0.16 -0.66 119.74 125.36 3mbh s LYS 209 Ca 0.02 -0.88 -0.01 0.00 -0.36 0.00 0.00 55.97 54.74 3mbh s LYS 209 Cb -0.10 -0.79 0.03 0.00 -1.51 0.00 0.00 37.83 35.46 3mbh s LYS 209 CO 0.03 0.18 0.08 0.54 -0.36 0.00 0.00 175.35 175.82 3mbh s VAL 210 N -1.18 -0.05 -0.11 4.02 0.11 -0.65 0.13 120.40 122.66 3mbh s VAL 210 Ca -0.02 0.18 -0.04 0.00 -2.93 0.00 0.00 61.98 59.17 3mbh s VAL 210 Cb -0.09 -0.15 -0.04 0.00 -1.53 0.00 0.00 36.38 34.57 3mbh s VAL 210 CO 0.02 0.07 0.05 -0.89 -3.33 0.00 0.00 175.10 171.03 3mbh s THR 211 N 1.01 4.76 -0.03 5.04 2.01 -1.26 -1.40 115.64 125.77 3mbh s THR 211 Ca -0.08 -0.07 -0.03 0.00 0.31 0.00 0.00 61.69 61.81 3mbh s THR 211 Cb -0.11 -3.05 0.01 0.00 0.01 0.00 0.00 72.50 69.36 3mbh s THR 211 CO -0.04 0.59 0.09 0.00 -0.69 0.00 0.00 174.62 174.57 3mbh n PRO 213 N 2.73 3.89 -3.99 0.00 -0.04 -1.26 -1.39 135.00 134.95 3mbh n PRO 213 Ca -0.14 -3.56 -0.10 0.00 -0.04 0.00 0.00 63.50 59.66 3mbh n PRO 213 Cb 0.59 -2.84 -0.07 0.00 -0.04 0.00 0.00 33.50 31.14 3mbh n PRO 213 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3mbh s TYR 214 N -0.14 0.47 -0.55 0.54 -0.85 -1.23 -4.92 117.35 110.67 3mbh s TYR 214 Ca 0.42 -0.82 0.01 0.00 -0.52 0.00 0.00 57.07 56.16 3mbh s TYR 214 Cb 0.12 -0.05 0.14 0.00 0.38 0.00 0.00 41.96 42.55 3mbh s TYR 214 CO -0.01 -0.78 0.32 -0.51 -1.52 0.00 0.00 175.55 173.05 3mbh s LEU 215 N -3.00 4.80 0.56 -3.49 1.43 -1.26 -2.94 118.68 114.79 3mbh s LEU 215 Ca 0.21 -2.84 0.32 0.00 -1.03 0.00 0.00 54.13 50.79 3mbh s LEU 215 Cb 0.03 -1.74 1.69 0.00 0.03 0.00 0.00 46.19 46.19 3mbh s LEU 215 CO 0.04 -0.32 2.14 1.55 0.23 0.00 0.00 176.35 179.99 3mbh h PRO 216 N 6.89 0.00 0.00 1.29 0.13 -1.97 -2.43 132.00 135.90 3mbh h PRO 216 Ca -0.05 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 3mbh h PRO 216 Cb 0.93 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.06 3mbh h PRO 216 CO 0.69 0.06 -0.07 0.00 -0.23 0.00 0.00 178.00 178.46 3mbh h ALA 217 N 1.94 1.14 0.00 -0.56 0.00 -1.98 -1.25 119.26 118.54 3mbh h ALA 217 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3mbh h ALA 217 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3mbh h ALA 217 CO 0.01 0.08 0.00 0.45 0.00 0.00 0.00 179.25 179.79 3mbh h HIS 218 N 0.00 0.00 -3.65 0.00 3.86 -1.85 -3.42 115.15 110.09 3mbh h HIS 218 Ca -0.00 0.00 -0.64 0.00 -1.16 0.00 0.00 60.37 58.57 3mbh h HIS 218 Cb 0.32 0.00 -0.39 0.00 1.06 0.00 0.00 27.41 28.40 3mbh h HIS 218 CO 0.00 0.00 -0.77 0.71 0.86 0.00 0.00 177.93 178.73 3mbh s TYR 219 N -3.75 2.92 0.44 2.45 2.02 -0.47 -4.62 117.35 116.33 3mbh s TYR 219 Ca -0.00 -2.26 -0.24 0.00 -0.37 0.00 0.00 57.07 54.20 3mbh s TYR 219 Cb 0.10 -2.08 -0.10 0.00 -0.40 0.00 0.00 41.96 39.49 3mbh s TYR 219 CO 0.47 -0.86 1.11 -2.30 -1.57 0.00 0.00 175.55 172.40 3mbh n PRO 220 N 4.51 1.53 -0.34 -1.71 -0.02 -1.26 -2.66 135.00 135.05 3mbh n PRO 220 Ca -0.06 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3mbh n PRO 220 Cb 0.43 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 3mbh n PRO 220 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mbh n GLY 221 N 1.05 1.11 0.21 -1.23 0.00 -1.26 -4.57 105.19 100.50 3mbh n GLY 221 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.12 3mbh n GLY 221 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3mbh h THR 222 N 0.00 1.24 -0.83 2.61 1.35 -1.79 -0.82 112.91 114.67 3mbh h THR 222 Ca 0.00 -1.11 0.01 0.00 -0.55 0.00 0.00 66.41 64.76 3mbh h THR 222 Cb 0.00 1.46 -0.04 0.00 -1.73 0.00 0.00 68.15 67.84 3mbh h THR 222 CO 0.00 0.33 0.55 1.23 -0.25 0.00 0.00 175.52 177.38 3mbh h GLY 223 N 0.96 1.18 1.15 5.82 0.00 -1.91 -0.16 103.07 110.10 3mbh h GLY 223 Ca 0.03 -0.43 -0.07 0.00 0.00 0.00 0.00 47.33 46.86 3mbh h GLY 223 CO 0.04 0.41 0.14 -0.55 0.00 0.00 0.00 176.54 176.58 3mbh h ASP 224 N 1.11 1.00 0.01 0.19 3.32 -1.71 -1.13 116.42 119.21 3mbh h ASP 224 Ca 0.31 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 3mbh h ASP 224 Cb -0.11 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.18 3mbh h ASP 224 CO -0.07 0.97 -0.00 0.74 -1.72 0.00 0.00 179.24 179.15 3mbh h THR 225 N 1.00 1.23 0.08 0.35 2.02 -1.02 -1.13 112.91 115.44 3mbh h THR 225 Ca 0.21 -0.70 0.02 0.00 0.77 0.00 0.00 66.41 66.71 3mbh h THR 225 Cb 0.38 1.70 -0.04 0.00 -1.74 0.00 0.00 68.15 68.45 3mbh h THR 225 CO 0.00 0.18 -0.31 0.15 0.37 0.00 0.00 175.52 175.91 3mbh h PHE 226 N -0.31 -0.85 -0.25 3.16 3.57 -0.97 -1.13 116.94 120.16 3mbh h PHE 226 Ca -0.00 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 3mbh h PHE 226 Cb 0.30 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 3mbh h PHE 226 CO 0.03 -0.41 -0.16 1.15 -2.23 0.00 0.00 178.31 176.68 3mbh h THR 227 N -0.51 1.23 -0.29 4.41 2.02 -1.21 -0.75 112.91 117.82 3mbh h THR 227 Ca 0.04 -1.06 0.01 0.00 0.77 0.00 0.00 66.41 66.17 3mbh h THR 227 Cb 0.56 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 3mbh h THR 227 CO -0.21 0.34 0.17 0.28 0.37 0.00 0.00 175.52 176.47 3mbh h SER 228 N 0.40 0.29 -0.40 4.18 0.02 -0.95 -0.16 113.55 116.93 3mbh h SER 228 Ca 0.07 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.88 3mbh h SER 228 Cb 0.53 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 3mbh h SER 228 CO 0.03 0.21 -0.28 0.58 -1.14 0.00 0.00 176.83 176.24 3mbh h VAL 229 N 0.36 1.27 -0.33 2.27 2.07 -0.64 -1.56 116.25 119.69 3mbh h VAL 229 Ca 0.11 -1.44 0.02 0.00 0.82 0.00 0.00 66.70 66.21 3mbh h VAL 229 Cb -0.01 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3mbh h VAL 229 CO -0.05 0.49 0.18 0.40 0.02 0.00 0.00 177.57 178.61 3mbh h ILE 230 N 0.79 1.01 -0.03 4.57 1.08 -1.03 0.12 117.51 124.01 3mbh h ILE 230 Ca 0.09 -0.12 0.01 0.00 -0.39 0.00 0.00 64.86 64.45 3mbh h ILE 230 Cb 0.85 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 35.20 3mbh h ILE 230 CO 0.07 0.07 -0.03 0.74 -0.69 0.00 0.00 178.15 178.31 3mbh h THR 231 N 0.36 0.92 -0.54 -0.27 2.02 -0.76 0.27 112.91 114.91 3mbh h THR 231 Ca 0.13 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.28 3mbh h THR 231 Cb 0.03 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 3mbh h THR 231 CO -0.08 0.00 0.19 1.23 0.37 0.00 0.00 175.52 177.23 3mbh h GLY 232 N -0.03 0.89 0.87 2.16 0.00 -1.01 -3.09 103.07 102.85 3mbh h GLY 232 Ca 0.02 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 3mbh h GLY 232 CO -0.05 0.48 0.04 0.23 0.00 0.00 0.00 176.54 177.23 3mbh h SER 233 N 0.74 0.42 0.00 0.19 0.87 -0.61 -0.63 113.55 114.54 3mbh h SER 233 Ca 0.18 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 3mbh h SER 233 Cb 0.24 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 3mbh h SER 233 CO -0.01 0.58 0.00 0.18 -0.53 0.00 0.00 176.83 177.05 3mbh n LEU 234 N -4.67 0.00 0.00 2.23 4.77 0.07 -1.53 117.00 117.87 3mbh n LEU 234 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3mbh n LEU 234 Cb 0.21 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3mbh n LEU 234 CO 0.37 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.43 3mbh n GLN 236 N 0.87 0.00 0.00 3.23 6.02 -0.24 -4.16 117.38 123.09 3mbh n GLN 236 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3mbh n GLN 236 Cb 0.00 -0.01 0.00 0.00 1.02 0.00 0.00 30.24 31.25 3mbh n GLN 236 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3mbh n GLY 237 N 0.01 1.00 3.78 1.08 0.00 -1.03 -5.09 105.19 104.93 3mbh n GLY 237 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3mbh n GLY 237 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mbh s ASP 238 N -2.05 5.79 0.93 1.61 1.01 -0.58 -5.05 116.67 118.34 3mbh s ASP 238 Ca 0.00 2.16 -0.11 0.00 0.71 0.00 0.00 52.55 55.31 3mbh s ASP 238 Cb 0.00 -2.58 0.15 0.00 1.01 0.00 0.00 42.92 41.50 3mbh s ASP 238 CO 0.00 -1.17 1.10 -0.94 0.21 0.00 0.00 175.17 174.37 3mbh s SER 239 N -1.77 2.98 0.12 0.27 1.04 -1.26 -4.47 113.70 110.61 3mbh s SER 239 Ca 0.72 1.79 -0.20 0.00 0.48 0.00 0.00 55.95 58.74 3mbh s SER 239 Cb -0.23 -2.39 -0.05 0.00 0.10 0.00 0.00 66.02 63.44 3mbh s SER 239 CO 0.27 -3.00 1.73 0.25 0.98 0.00 0.00 173.24 173.47 3mbh h LEU 240 N -1.80 -0.06 -2.61 2.42 5.85 -1.98 -0.76 115.31 116.37 3mbh h LEU 240 Ca -0.49 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3mbh h LEU 240 Cb 1.28 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.37 3mbh h LEU 240 CO 0.49 -0.01 0.00 -0.81 -0.34 0.00 0.00 178.44 177.77 3mbh n PRO 241 N -5.13 0.26 0.00 5.25 -0.04 -1.26 -1.73 135.00 132.35 3mbh n PRO 241 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 3mbh n PRO 241 Cb 0.09 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 3mbh n PRO 241 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mbh n ALA 243 N 1.22 0.00 -0.26 0.55 0.00 -0.29 -1.81 120.51 119.92 3mbh n ALA 243 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 3mbh n ALA 243 Cb 0.13 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.67 3mbh n ALA 243 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3mbh h LEU 244 N 0.00 0.74 -0.14 0.00 3.38 -1.60 -1.09 115.31 116.59 3mbh h LEU 244 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3mbh h LEU 244 Cb 0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3mbh h LEU 244 CO 0.00 0.50 0.01 0.44 0.09 0.00 0.00 178.44 179.48 3mbh h ASP 245 N 0.88 0.24 -0.26 -0.43 3.32 -1.64 -1.53 116.42 116.99 3mbh h ASP 245 Ca 0.30 -0.29 0.02 0.00 0.02 0.00 0.00 57.03 57.07 3mbh h ASP 245 Cb 0.05 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 3mbh h ASP 245 CO -0.12 0.47 0.13 0.03 -1.72 0.00 0.00 179.24 178.03 3mbh h ARG 246 N -0.01 0.26 -0.25 3.56 3.08 -1.81 -0.20 114.38 119.01 3mbh h ARG 246 Ca 0.04 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 3mbh h ARG 246 Cb 0.35 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3mbh h ARG 246 CO 0.01 0.17 -0.03 0.00 -1.07 0.00 0.00 179.97 179.05 3mbh h ALA 247 N 1.13 0.34 -0.41 0.04 0.00 -1.17 -1.23 119.26 117.96 3mbh h ALA 247 Ca 0.11 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3mbh h ALA 247 Cb 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3mbh h ALA 247 CO -0.07 0.11 0.04 1.79 0.00 0.00 0.00 179.25 181.12 3mbh h THR 248 N 0.23 1.25 -0.69 0.00 1.35 -1.21 -2.15 112.91 111.70 3mbh h THR 248 Ca 0.07 -0.93 0.04 0.00 -0.55 0.00 0.00 66.41 65.04 3mbh h THR 248 Cb 0.47 1.05 -0.05 0.00 -1.73 0.00 0.00 68.15 67.90 3mbh h THR 248 CO 0.02 0.32 0.42 1.56 -0.25 0.00 0.00 175.52 177.58 3mbh h GLN 249 N 0.54 0.78 -0.32 4.72 1.08 -0.99 -0.43 115.11 120.49 3mbh h GLN 249 Ca 0.12 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.27 3mbh h GLN 249 Cb 0.41 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.65 3mbh h GLN 249 CO 0.01 0.51 0.18 0.35 -0.95 0.00 0.00 178.83 178.94 3mbh h PHE 250 N 0.80 0.44 -0.50 2.96 3.57 -1.04 -1.77 116.94 121.40 3mbh h PHE 250 Ca 0.29 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.76 3mbh h PHE 250 Cb 0.07 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 3mbh h PHE 250 CO -0.05 0.35 0.23 0.82 -2.23 0.00 0.00 178.31 177.42 3mbh h ILE 251 N 0.40 1.20 -0.55 1.41 2.04 -1.12 -0.62 117.51 120.27 3mbh h ILE 251 Ca 0.11 -0.56 0.09 0.00 1.00 0.00 0.00 64.86 65.50 3mbh h ILE 251 Cb 0.05 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 36.71 3mbh h ILE 251 CO -0.02 0.22 0.16 0.25 0.00 0.00 0.00 178.15 178.76 3mbh h LEU 252 N 0.66 0.10 -0.21 1.44 5.85 -0.84 0.10 115.31 122.41 3mbh h LEU 252 Ca 0.17 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 3mbh h LEU 252 Cb 0.13 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3mbh h LEU 252 CO -0.02 0.07 0.12 1.56 -0.34 0.00 0.00 178.44 179.84 3mbh h GLN 253 N 0.31 0.29 -0.48 1.25 4.20 -1.08 0.74 115.11 120.34 3mbh h GLN 253 Ca 0.28 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.99 3mbh h GLN 253 Cb 0.36 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 3mbh h GLN 253 CO -0.32 0.25 0.32 0.78 -0.67 0.00 0.00 178.83 179.19 3mbh h GLY 254 N 0.25 0.62 0.80 3.46 0.00 -0.34 -0.73 103.07 107.13 3mbh h GLY 254 Ca 0.07 -0.22 -0.19 0.00 0.00 0.00 0.00 47.33 47.00 3mbh h GLY 254 CO -0.01 0.19 -0.81 -2.22 0.00 0.00 0.00 176.54 173.69 3mbh h ILE 255 N 0.55 1.45 -0.10 2.60 2.04 -0.46 -2.12 117.51 121.47 3mbh h ILE 255 Ca 0.19 -2.37 -0.05 0.00 1.00 0.00 0.00 64.86 63.63 3mbh h ILE 255 Cb 0.08 2.93 -0.01 0.00 -0.74 0.00 0.00 36.82 39.08 3mbh h ILE 255 CO -0.05 0.68 -0.16 0.03 0.00 0.00 0.00 178.15 178.65 3mbh h ARG 256 N -0.19 0.16 -0.15 2.37 3.08 -0.55 -1.32 114.38 117.78 3mbh h ARG 256 Ca -0.13 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 59.93 3mbh h ARG 256 Cb 1.57 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.60 3mbh h ARG 256 CO 0.15 0.33 0.19 0.00 -1.07 0.00 0.00 179.97 179.58 3mbh h ALA 257 N 1.68 1.70 -0.01 0.04 0.00 -1.20 -0.76 119.26 120.71 3mbh h ALA 257 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3mbh h ALA 257 Cb 0.39 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3mbh h ALA 257 CO 0.02 -0.27 -0.13 0.25 0.00 0.00 0.00 179.25 179.12 3mbh n THR 258 N -3.67 0.00 -3.18 0.00 -2.24 -0.50 -4.95 114.28 99.75 3mbh n THR 258 Ca 0.01 -0.12 -0.34 0.00 -2.27 0.00 0.00 64.05 61.34 3mbh n THR 258 Cb 0.31 0.15 -0.06 0.00 -2.10 0.00 0.00 70.33 68.63 3mbh n THR 258 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3mbh s PHE 259 N -2.36 3.48 0.00 4.78 0.08 -0.29 -4.32 117.98 119.35 3mbh s PHE 259 Ca 0.30 1.21 0.00 0.00 0.12 0.00 0.00 56.93 58.56 3mbh s PHE 259 Cb 0.20 -2.51 0.00 0.00 -0.57 0.00 0.00 43.02 40.14 3mbh s PHE 259 CO 0.45 0.22 0.00 0.41 -0.10 0.00 0.00 175.22 176.20 3mbh n GLY 260 N 0.08 0.78 3.69 4.36 0.00 -1.26 -5.06 105.19 107.78 3mbh n GLY 260 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3mbh n GLY 260 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3mbh s TYR 261 N -2.09 0.14 -0.08 1.61 1.13 -1.26 -5.11 117.35 111.70 3mbh s TYR 261 Ca 0.00 -0.54 -0.29 0.00 -1.41 0.00 0.00 57.07 54.83 3mbh s TYR 261 Cb 0.00 0.39 -0.06 0.00 -1.10 0.00 0.00 41.96 41.19 3mbh s TYR 261 CO 0.00 -1.08 1.88 -1.83 -2.51 0.00 0.00 175.55 172.00 3mbh s GLU 262 N -3.98 3.90 -0.02 -3.49 1.03 -1.26 -4.95 118.70 109.94 3mbh s GLU 262 Ca 0.18 2.24 -0.01 0.00 0.03 0.00 0.00 54.97 57.41 3mbh s GLU 262 Cb -0.03 -4.14 0.02 0.00 -0.80 0.00 0.00 34.13 29.18 3mbh s GLU 262 CO 0.08 -1.20 0.03 -0.47 -1.33 0.00 0.00 175.26 172.37 3mbh s TYR 263 N 5.20 -0.01 -0.59 4.83 5.04 -1.26 -5.09 117.35 125.46 3mbh s TYR 263 Ca 0.84 0.12 -0.21 0.00 -2.44 0.00 0.00 57.07 55.37 3mbh s TYR 263 Cb -0.36 -0.09 0.07 0.00 0.35 0.00 0.00 41.96 41.93 3mbh s TYR 263 CO 0.35 -0.05 0.83 0.34 -1.34 0.00 0.00 175.55 175.68 3mbh s ASP 264 N 0.51 6.22 0.63 4.32 -1.08 -1.26 -4.91 116.67 121.11 3mbh s ASP 264 Ca -0.04 -0.91 0.26 0.00 -0.52 0.00 0.00 52.55 51.34 3mbh s ASP 264 Cb -0.06 -2.37 1.42 0.00 -1.46 0.00 0.00 42.92 40.45 3mbh s ASP 264 CO -0.02 -1.20 1.79 0.78 0.52 0.00 0.00 175.17 177.04 3mbh h ASN 265 N 9.30 0.00 0.65 -0.34 2.35 -1.91 -0.94 115.58 124.70 3mbh h ASN 265 Ca -0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 3mbh h ASN 265 Cb 1.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.45 3mbh h ASN 265 CO 1.09 0.00 0.00 0.03 -1.65 0.00 0.00 177.43 176.90 3mbh h ARG 266 N 0.00 0.00 0.00 0.81 3.08 -1.91 -2.22 114.38 114.14 3mbh h ARG 266 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mbh h ARG 266 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.82 3mbh h ARG 266 CO 0.00 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.29 3mbh n GLU 267 N -2.67 0.19 0.00 0.04 1.02 -0.36 -4.50 120.64 114.37 3mbh n GLU 267 Ca 0.00 0.35 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 3mbh n GLU 267 Cb 0.21 -1.82 0.00 0.00 -0.02 0.00 0.00 31.44 29.81 3mbh n GLU 267 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mbh n GLY 268 N 0.38 -2.90 3.74 0.62 0.00 -0.83 -3.27 105.19 102.92 3mbh n GLY 268 Ca 0.03 -1.95 -0.31 0.00 0.00 0.00 0.00 46.02 43.79 3mbh n GLY 268 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mbh s ILE 269 N -0.53 2.88 -1.39 -0.61 -4.36 -1.26 -4.89 121.20 111.04 3mbh s ILE 269 Ca 0.00 0.30 -0.12 0.00 -0.26 0.00 0.00 60.65 60.57 3mbh s ILE 269 Cb 0.00 -2.64 0.09 0.00 1.25 0.00 0.00 42.46 41.16 3mbh s ILE 269 CO 0.00 -0.36 2.14 0.18 0.24 0.00 0.00 174.94 177.14 3mbh n LEU 270 N -3.65 6.93 -0.12 0.37 4.77 -0.80 -4.80 117.00 119.71 3mbh n LEU 270 Ca 0.10 -4.38 -0.05 0.00 -0.03 0.00 0.00 56.01 51.65 3mbh n LEU 270 Cb 0.53 -1.57 0.01 0.00 -2.33 0.00 0.00 43.42 40.06 3mbh n LEU 270 CO 0.51 1.31 0.75 0.25 -1.33 0.00 0.00 177.39 178.88 3mbh h LEU 271 N 8.83 -0.54 -1.48 2.23 5.85 -1.90 -2.05 115.31 126.24 3mbh h LEU 271 Ca 0.52 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 59.38 3mbh h LEU 271 Cb 0.60 0.31 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 3mbh h LEU 271 CO 1.77 -0.19 -0.02 -0.33 -0.34 0.00 0.00 178.44 179.33 3mbh h GLU 272 N -0.08 0.00 -0.04 1.25 3.07 -2.00 -0.49 114.58 116.29 3mbh h GLU 272 Ca 0.20 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.85 3mbh h GLU 272 Cb 0.37 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.28 3mbh h GLU 272 CO -0.45 0.02 -0.83 -0.22 -1.40 0.00 0.00 179.01 176.13 3mbh h LYS 273 N 0.00 0.38 -0.04 2.33 1.63 -1.78 -3.34 116.57 115.75 3mbh h LYS 273 Ca -0.00 -0.36 0.00 0.00 -0.85 0.00 0.00 60.65 59.44 3mbh h LYS 273 Cb 0.51 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.24 3mbh h LYS 273 CO 0.00 1.02 0.00 1.33 -3.45 0.00 0.00 179.45 178.36 3mbh n VAL 274 N -3.78 0.06 -0.33 2.00 0.24 -0.88 -4.71 118.33 110.93 3mbh n VAL 274 Ca -0.05 -0.53 0.11 0.00 -2.04 0.00 0.00 64.34 61.83 3mbh n VAL 274 Cb 0.77 1.24 0.32 0.00 -1.47 0.00 0.00 33.84 34.70 3mbh n VAL 274 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3mbh h LEU 275 N 2.72 0.79 0.00 1.34 5.85 -1.23 -0.15 115.31 124.62 3mbh h LEU 275 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3mbh h LEU 275 Cb 0.59 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3mbh h LEU 275 CO 0.00 0.35 0.00 1.41 -0.34 0.00 0.00 178.44 179.86 3mbh n HIS 276 N -4.66 0.00 0.51 1.25 8.25 -1.26 -2.21 115.22 117.10 3mbh n HIS 276 Ca 0.21 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.79 3mbh n HIS 276 Cb 0.49 -0.33 0.42 0.00 1.12 0.00 0.00 29.99 31.69 3mbh n HIS 276 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 3mbh h ASN 277 N 0.00 0.00 0.02 0.41 2.35 -1.37 -3.03 115.58 113.96 3mbh h ASN 277 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3mbh h ASN 277 Cb 0.19 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 3mbh h ASN 277 CO 0.00 0.00 -0.02 -0.07 -1.65 0.00 0.00 177.43 175.69 3mbh h LEU 278 N 0.00 0.00 -3.61 1.61 3.38 -1.60 -3.46 115.31 111.63 3mbh h LEU 278 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mbh h LEU 278 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3mbh h LEU 278 CO 0.00 0.02 0.00 0.47 0.09 0.00 0.00 178.44 179.02 3mbh n ASP 279 N -4.23 1.45 -4.54 -0.43 8.00 -1.15 -5.08 116.55 110.57 3mbh n ASP 279 Ca -0.03 -1.34 -0.30 0.00 0.71 0.00 0.00 54.79 53.83 3mbh n ASP 279 Cb 0.10 -0.30 -0.11 0.00 -0.02 0.00 0.00 41.12 40.79 3mbh n ASP 279 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3mbh s PRO 281 N 1.40 2.07 0.03 -0.24 0.04 -1.26 -5.19 135.00 131.85 3mbh s PRO 281 Ca 0.00 -1.03 -0.30 0.00 0.04 0.00 0.00 61.00 59.70 3mbh s PRO 281 Cb 0.00 -2.26 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 3mbh s PRO 281 CO 0.00 0.51 1.22 0.42 0.04 0.00 0.00 177.00 179.20 3mbh s ILE 282 N -1.15 4.02 -0.34 0.56 -1.09 -1.26 -5.16 121.20 116.78 3mbh s ILE 282 Ca 0.19 1.43 0.01 0.00 -2.23 0.00 0.00 60.65 60.05 3mbh s ILE 282 Cb -0.11 -3.92 0.34 0.00 -1.58 0.00 0.00 42.46 37.19 3mbh s ILE 282 CO 0.11 0.08 1.80 0.00 -1.23 0.00 0.00 174.94 175.71 3mbh n GLN 283 N 4.32 1.90 -3.85 2.79 10.64 -1.26 -5.11 117.38 126.81 3mbh n GLN 283 Ca 0.10 -1.91 -0.12 0.00 -1.83 0.00 0.00 57.00 53.24 3mbh n GLN 283 Cb 0.46 -1.75 -0.11 0.00 -0.86 0.00 0.00 30.24 27.98 3mbh n GLN 283 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3mbh s ALA 285 N -2.17 -0.35 0.00 2.61 0.00 -1.26 -5.26 121.76 115.34 3mbh s ALA 285 Ca 0.37 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.40 3mbh s ALA 285 Cb 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.40 3mbh s ALA 285 CO 0.03 -0.16 0.38 -1.13 0.00 0.00 0.00 175.76 174.88 3mbh n SER 286 N 2.00 0.51 -4.82 0.00 3.41 -1.26 -5.08 113.62 108.38 3mbh n SER 286 Ca -0.19 -1.14 -0.32 0.00 -0.26 0.00 0.00 58.87 56.96 3mbh n SER 286 Cb 0.57 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.54 3mbh n SER 286 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3mbh s TYR 287 N -0.14 3.13 -0.02 7.33 -0.85 -1.26 -4.61 117.35 120.93 3mbh s TYR 287 Ca 0.00 1.46 0.01 0.00 -0.52 0.00 0.00 57.07 58.02 3mbh s TYR 287 Cb 0.00 -2.91 0.01 0.00 0.38 0.00 0.00 41.96 39.43 3mbh s TYR 287 CO 0.00 -1.04 -0.04 -1.83 -1.52 0.00 0.00 175.55 171.12 3mbh s GLU 288 N -4.51 0.46 0.14 -3.49 -1.05 0.12 -4.97 118.70 105.41 3mbh s GLU 288 Ca 0.60 -0.12 -0.31 0.00 -0.15 0.00 0.00 54.97 54.99 3mbh s GLU 288 Cb -0.14 -0.49 -0.10 0.00 -0.44 0.00 0.00 34.13 32.96 3mbh s GLU 288 CO 0.44 0.03 1.72 -1.17 0.95 0.00 0.00 175.26 177.23 3mbh s LEU 289 N 0.27 4.38 0.00 1.83 2.96 -1.26 0.37 118.68 127.23 3mbh s LEU 289 Ca -0.03 2.71 0.00 0.00 -0.22 0.00 0.00 54.13 56.59 3mbh s LEU 289 Cb -0.06 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.05 3mbh s LEU 289 CO -0.00 -0.94 0.45 2.30 -1.32 0.00 0.00 176.35 176.83