#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mbh s ALA 3 N 0.00 0.96 -0.41 -0.72 0.00 -1.26 -5.11 121.76 115.22 3mbh s ALA 3 Ca 0.00 -0.26 0.06 0.00 0.00 0.00 0.00 51.96 51.76 3mbh s ALA 3 Cb 0.00 -0.63 0.21 0.00 0.00 0.00 0.00 23.12 22.70 3mbh s ALA 3 CO 0.00 -0.18 0.46 -1.71 0.00 0.00 0.00 175.76 174.34 3mbh n ASN 4 N 4.44 -0.42 -4.73 0.00 2.85 -1.26 -5.14 115.26 110.99 3mbh n ASN 4 Ca -0.18 -2.58 -0.30 0.00 -0.11 0.00 0.00 54.58 51.41 3mbh n ASN 4 Cb 0.51 -0.39 0.13 0.00 1.24 0.00 0.00 39.78 41.26 3mbh n ASN 4 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 3mbh s LYS 5 N -0.44 1.59 -0.09 1.20 1.02 -1.26 -4.98 119.74 116.78 3mbh s LYS 5 Ca 0.34 1.07 -0.29 0.00 0.02 0.00 0.00 55.97 57.11 3mbh s LYS 5 Cb 0.11 -1.83 -0.06 0.00 -0.52 0.00 0.00 37.83 35.53 3mbh s LYS 5 CO -0.15 -2.08 1.78 0.08 -0.92 0.00 0.00 175.35 174.05 3mbh s VAL 6 N -2.87 3.41 0.52 3.17 1.01 -1.26 -5.00 120.40 119.39 3mbh s VAL 6 Ca 0.63 0.48 -0.18 0.00 0.00 0.00 0.00 61.98 62.91 3mbh s VAL 6 Cb -0.18 -3.36 -0.07 0.00 0.00 0.00 0.00 36.38 32.77 3mbh s VAL 6 CO 0.57 -0.10 1.04 -0.54 0.00 0.00 0.00 175.10 176.07 3mbh s LYS 7 N 4.53 3.66 -0.09 2.72 1.02 -1.26 -4.79 119.74 125.52 3mbh s LYS 7 Ca 0.79 1.27 0.01 0.00 0.02 0.00 0.00 55.97 58.07 3mbh s LYS 7 Cb -0.34 -2.08 -0.02 0.00 -0.52 0.00 0.00 37.83 34.87 3mbh s LYS 7 CO 0.33 -0.54 -0.12 0.15 -0.92 0.00 0.00 175.35 174.25 3mbh s LYS 8 N -3.58 2.96 -0.19 1.68 1.02 -1.26 -1.25 119.74 119.13 3mbh s LYS 8 Ca 0.65 -0.65 -0.00 0.00 0.02 0.00 0.00 55.97 55.99 3mbh s LYS 8 Cb -0.16 -2.55 0.01 0.00 -0.52 0.00 0.00 37.83 34.61 3mbh s LYS 8 CO 0.26 0.45 -0.15 0.42 -0.92 0.00 0.00 175.35 175.42 3mbh s ILE 9 N -0.26 2.55 -0.16 2.17 1.01 0.24 -0.55 121.20 126.19 3mbh s ILE 9 Ca 0.02 -0.78 -0.28 0.00 0.00 0.00 0.00 60.65 59.61 3mbh s ILE 9 Cb -0.13 -2.10 -0.00 0.00 0.01 0.00 0.00 42.46 40.23 3mbh s ILE 9 CO 0.03 0.50 0.98 0.00 0.00 0.00 0.00 174.94 176.45 3mbh s ALA 10 N 1.24 3.53 -0.39 9.38 0.00 -0.40 -0.72 121.76 134.40 3mbh s ALA 10 Ca 0.03 0.23 -0.07 0.00 0.00 0.00 0.00 51.96 52.15 3mbh s ALA 10 Cb -0.14 -3.43 0.07 0.00 0.00 0.00 0.00 23.12 19.62 3mbh s ALA 10 CO -0.07 -0.77 0.19 0.00 0.00 0.00 0.00 175.76 175.10 3mbh s ALA 11 N 2.46 3.17 -1.01 0.00 0.00 -0.50 -0.89 121.76 124.99 3mbh s ALA 11 Ca 0.45 -2.09 -0.12 0.00 0.00 0.00 0.00 51.96 50.19 3mbh s ALA 11 Cb -0.17 -2.46 0.24 0.00 0.00 0.00 0.00 23.12 20.74 3mbh s ALA 11 CO 0.13 -1.57 1.02 0.08 0.00 0.00 0.00 175.76 175.41 3mbh s VAL 12 N 1.35 5.72 0.14 0.00 1.01 -0.16 -0.53 120.40 127.93 3mbh s VAL 12 Ca 0.02 -2.92 -0.09 0.00 0.00 0.00 0.00 61.98 58.99 3mbh s VAL 12 Cb -0.22 -4.60 -0.00 0.00 0.00 0.00 0.00 36.38 31.56 3mbh s VAL 12 CO 0.01 -1.19 0.26 -1.00 0.00 0.00 0.00 175.10 173.18 3mbh s HIS 13 N -0.30 0.28 0.74 5.22 3.76 -1.22 -0.71 115.29 123.07 3mbh s HIS 13 Ca 0.27 -0.67 -0.11 0.00 -0.15 0.00 0.00 55.06 54.40 3mbh s HIS 13 Cb -0.09 -0.04 0.04 0.00 1.11 0.00 0.00 32.58 33.59 3mbh s HIS 13 CO -0.08 -0.66 1.08 0.16 -0.85 0.00 0.00 174.74 174.39 3mbh s ASP 14 N -2.92 5.02 -0.30 1.40 -4.77 -1.22 -1.78 116.67 112.08 3mbh s ASP 14 Ca 0.12 1.38 -0.05 0.00 -3.30 0.00 0.00 52.55 50.71 3mbh s ASP 14 Cb 0.04 -2.19 0.03 0.00 -1.09 0.00 0.00 42.92 39.70 3mbh s ASP 14 CO -0.04 -1.65 0.05 -0.22 0.70 0.00 0.00 175.17 174.01 3mbh s LEU 15 N -5.61 3.91 -0.14 2.11 2.96 -0.56 -1.41 118.68 119.94 3mbh s LEU 15 Ca 0.59 -0.99 -0.01 0.00 -0.22 0.00 0.00 54.13 53.50 3mbh s LEU 15 Cb -0.14 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 3mbh s LEU 15 CO 0.54 -0.24 -0.10 -0.44 -1.32 0.00 0.00 176.35 174.79 3mbh s SER 16 N 1.39 4.30 0.20 3.68 0.01 -1.26 -0.85 113.70 121.17 3mbh s SER 16 Ca -0.01 -0.25 0.15 0.00 1.31 0.00 0.00 55.95 57.15 3mbh s SER 16 Cb -0.18 -1.66 0.77 0.00 0.21 0.00 0.00 66.02 65.16 3mbh s SER 16 CO 0.01 0.17 1.46 0.61 0.41 0.00 0.00 173.24 175.90 3mbh n GLY 17 N 3.49 -0.81 1.00 3.44 0.00 -0.14 -4.79 105.19 107.38 3mbh n GLY 17 Ca -0.18 0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.13 -1.70 3.08 -0.02 0.00 -1.26 -4.93 105.19 99.22 3mbh n GLY 19 Ca -0.00 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 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 -4.69 2.77 0.20 1.61 0.52 -1.19 -4.92 118.95 113.25 3mbh s ARG 20 Ca 0.00 -2.86 0.02 0.00 -0.52 0.00 0.00 55.73 52.37 3mbh s ARG 20 Cb 0.00 -3.76 -0.05 0.00 0.52 0.00 0.00 34.95 31.66 3mbh s ARG 20 CO 0.00 -1.21 0.02 0.14 0.02 0.00 0.00 175.30 174.27 3mbh s VAL 21 N -0.64 0.71 0.00 3.52 -7.23 -1.26 -4.18 120.40 111.32 3mbh s VAL 21 Ca 0.21 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 3mbh s VAL 21 Cb -0.15 -2.25 0.00 0.00 0.56 0.00 0.00 36.38 34.54 3mbh s VAL 21 CO -0.07 -0.37 0.00 -1.54 -0.31 0.00 0.00 175.10 172.81 3mbh n SER 22 N -0.31 0.00 0.02 4.85 3.41 -1.26 -2.60 113.62 117.73 3mbh n SER 22 Ca -0.05 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.65 3mbh n SER 22 Cb 0.64 0.00 0.51 0.00 -0.26 0.00 0.00 64.21 65.10 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 0.31 0.00 1.04 3.38 -1.54 -0.07 115.31 118.43 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 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3mbh h LEU 23 CO 0.00 0.21 0.00 0.35 0.09 0.00 0.00 178.44 179.09 3mbh n THR 24 N -4.48 0.20 -0.09 0.22 -2.24 -1.07 -1.21 114.28 105.61 3mbh n THR 24 Ca 0.05 0.05 -0.18 0.00 -2.27 0.00 0.00 64.05 61.70 3mbh n THR 24 Cb 0.21 -0.68 -0.07 0.00 -2.10 0.00 0.00 70.33 67.69 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 -1.20 1.05 -0.24 2.28 0.31 -0.19 -4.57 118.33 115.78 3mbh n VAL 25 Ca 0.13 -0.32 -0.07 0.00 -0.01 0.00 0.00 64.34 64.08 3mbh n VAL 25 Cb 0.15 -1.53 0.04 0.00 -0.91 0.00 0.00 33.84 31.59 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 -0.44 1.23 0.38 2.52 2.07 -0.99 -2.61 116.25 118.41 3mbh h VAL 26 Ca -0.46 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.37 3mbh h VAL 26 Cb 1.50 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3mbh h VAL 26 CO -0.21 0.27 -0.18 0.40 0.02 0.00 0.00 177.57 177.87 3mbh h ILE 27 N 0.93 0.60 -0.86 4.57 2.04 -1.41 -2.12 117.51 121.27 3mbh h ILE 27 Ca 0.23 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 3mbh h ILE 27 Cb 0.14 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 3mbh h ILE 27 CO -0.03 0.07 0.45 1.55 0.00 0.00 0.00 178.15 180.19 3mbh h PRO 28 N -0.75 1.21 0.34 2.37 0.13 -1.78 -0.67 132.00 132.85 3mbh h PRO 28 Ca -0.05 -0.16 -0.02 0.00 -0.87 0.00 0.00 66.00 64.90 3mbh h PRO 28 Cb 0.51 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 31.42 3mbh h PRO 28 CO 0.09 0.90 -0.16 0.82 -0.23 0.00 0.00 178.00 179.42 3mbh h ILE 29 N 1.20 0.64 -0.43 -3.56 2.04 -1.50 -1.51 117.51 114.40 3mbh h ILE 29 Ca 0.30 -0.53 -0.12 0.00 1.00 0.00 0.00 64.86 65.50 3mbh h ILE 29 Cb 0.07 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3mbh h ILE 29 CO -0.04 0.10 -0.21 -0.07 0.00 0.00 0.00 178.15 177.92 3mbh h LEU 30 N -0.78 0.87 -0.60 1.44 3.38 -1.36 -2.38 115.31 115.88 3mbh h LEU 30 Ca -0.05 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.64 3mbh h LEU 30 Cb 0.51 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 3mbh h LEU 30 CO 0.08 1.05 0.36 0.28 0.09 0.00 0.00 178.44 180.30 3mbh h SER 31 N 0.74 0.58 0.00 -0.43 0.02 -1.08 -1.23 113.55 112.16 3mbh h SER 31 Ca 0.10 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3mbh h SER 31 Cb 0.74 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.17 3mbh h SER 31 CO 0.06 0.40 0.00 -0.24 -1.14 0.00 0.00 176.83 175.91 3mbh n SER 32 N -4.75 1.37 -0.07 3.07 2.88 -0.57 -3.86 113.62 111.70 3mbh n SER 32 Ca 0.06 -1.21 0.00 0.00 -1.33 0.00 0.00 58.87 56.39 3mbh n SER 32 Cb 0.09 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 3mbh n SER 32 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3mbh n GLY 34 N 1.62 -1.51 3.48 0.46 0.00 -0.80 -4.99 105.19 103.45 3mbh n GLY 34 Ca 0.00 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.21 2.67 -0.05 1.61 0.08 -0.53 -4.49 117.98 117.05 3mbh s PHE 35 Ca 0.01 -0.19 -0.27 0.00 0.12 0.00 0.00 56.93 56.60 3mbh s PHE 35 Cb 0.01 -1.56 -0.03 0.00 -0.57 0.00 0.00 43.02 40.87 3mbh s PHE 35 CO 0.00 0.23 0.88 -1.14 -0.10 0.00 0.00 175.22 175.09 3mbh s GLN 36 N -1.09 4.48 -0.22 0.44 0.74 -0.38 -3.19 119.66 120.44 3mbh s GLN 36 Ca 0.13 1.20 -0.08 0.00 0.05 0.00 0.00 55.36 56.66 3mbh s GLN 36 Cb -0.11 -3.48 -0.04 0.00 1.10 0.00 0.00 33.01 30.49 3mbh s GLN 36 CO 0.03 -0.07 0.08 0.08 -0.55 0.00 0.00 175.29 174.86 3mbh s VAL 37 N 1.18 4.73 -0.38 1.34 1.01 -1.26 -0.60 120.40 126.42 3mbh s VAL 37 Ca 0.45 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.37 3mbh s VAL 37 Cb -0.19 -3.17 0.10 0.00 0.00 0.00 0.00 36.38 33.11 3mbh s VAL 37 CO 0.22 0.39 0.16 0.00 0.00 0.00 0.00 175.10 175.87 3mbh s PRO 39 N 1.15 4.45 -0.65 0.00 0.04 -1.26 -1.41 135.00 137.31 3mbh s PRO 39 Ca 0.06 1.86 -0.03 0.00 0.04 0.00 0.00 61.00 62.93 3mbh s PRO 39 Cb -0.22 -3.28 0.17 0.00 0.04 0.00 0.00 34.50 31.21 3mbh s PRO 39 CO -0.04 -0.20 0.47 -1.17 0.04 0.00 0.00 177.00 176.11 3mbh s LEU 40 N 0.44 5.26 0.12 -3.56 2.96 0.31 -4.89 118.68 119.33 3mbh s LEU 40 Ca 0.57 -2.96 -0.30 0.00 -0.22 0.00 0.00 54.13 51.22 3mbh s LEU 40 Cb -0.32 -1.86 -0.07 0.00 0.50 0.00 0.00 46.19 44.45 3mbh s LEU 40 CO 0.33 -0.35 1.14 -2.16 -1.32 0.00 0.00 176.35 173.99 3mbh s PRO 41 N -0.22 4.52 0.15 0.98 0.04 -1.26 -3.37 135.00 135.84 3mbh s PRO 41 Ca 0.18 1.74 0.21 0.00 0.04 0.00 0.00 61.00 63.17 3mbh s PRO 41 Cb -0.19 -3.31 -0.07 0.00 0.04 0.00 0.00 34.50 30.97 3mbh s PRO 41 CO -0.04 -0.08 0.92 0.25 0.04 0.00 0.00 177.00 178.10 3mbh n THR 42 N 3.06 0.66 -3.57 1.26 -2.24 -0.74 -4.78 114.28 107.94 3mbh n THR 42 Ca 0.05 -0.57 -0.06 0.00 -2.27 0.00 0.00 64.05 61.20 3mbh n THR 42 Cb 0.46 -0.37 -0.02 0.00 -2.10 0.00 0.00 70.33 68.29 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 -3.29 -1.99 -0.15 6.98 0.00 -1.26 -1.92 121.76 120.13 3mbh s ALA 43 Ca -0.02 1.46 0.01 0.00 0.00 0.00 0.00 51.96 53.41 3mbh s ALA 43 Cb 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.11 3mbh s ALA 43 CO 0.81 -0.57 -0.17 0.08 0.00 0.00 0.00 175.76 175.90 3mbh s VAL 44 N -2.40 2.48 0.08 0.00 1.01 0.30 -1.50 120.40 120.38 3mbh s VAL 44 Ca 0.07 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.26 3mbh s VAL 44 Cb -0.01 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 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 0.77 2.31 0.40 3.92 1.02 -0.03 -0.79 118.68 126.29 3mbh s LEU 45 Ca -0.07 -0.67 0.12 0.00 0.02 0.00 0.00 54.13 53.53 3mbh s LEU 45 Cb -0.16 -0.49 0.85 0.00 0.02 0.00 0.00 46.19 46.41 3mbh s LEU 45 CO 0.00 -0.11 1.92 0.77 0.02 0.00 0.00 176.35 178.95 3mbh h SER 46 N 4.08 0.08 -5.32 2.29 4.64 -1.86 -0.35 113.55 117.11 3mbh h SER 46 Ca -0.40 -0.02 0.25 0.00 -0.47 0.00 0.00 61.79 61.15 3mbh h SER 46 Cb 1.19 -0.02 -0.12 0.00 -0.31 0.00 0.00 62.40 63.14 3mbh h SER 46 CO 0.43 0.31 0.67 0.54 -0.87 0.00 0.00 176.83 177.92 3mbh s ASN 47 N -6.94 -0.14 0.94 4.97 4.22 -1.26 -2.88 114.94 113.84 3mbh s ASN 47 Ca -0.04 -0.20 -0.12 0.00 -2.14 0.00 0.00 52.86 50.36 3mbh s ASN 47 Cb 0.15 0.29 0.15 0.00 1.28 0.00 0.00 41.25 43.13 3mbh s ASN 47 CO 0.72 -0.53 1.09 -1.38 -2.04 0.00 0.00 177.10 174.96 3mbh s HIS 48 N -2.79 2.15 -2.05 1.54 -3.43 -1.26 -4.82 115.29 104.62 3mbh s HIS 48 Ca 0.12 1.25 0.12 0.00 -0.80 0.00 0.00 55.06 55.76 3mbh s HIS 48 Cb 0.01 -3.18 0.59 0.00 -1.43 0.00 0.00 32.58 28.57 3mbh s HIS 48 CO -0.02 -2.63 1.40 0.25 -2.00 0.00 0.00 174.74 171.73 3mbh n THR 49 N -4.05 0.12 1.20 -5.38 -2.24 -1.26 -3.10 114.28 99.57 3mbh n THR 49 Ca 0.07 -0.15 0.13 0.00 -2.27 0.00 0.00 64.05 61.83 3mbh n THR 49 Cb 0.55 0.01 0.27 0.00 -2.10 0.00 0.00 70.33 69.06 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 -0.27 1.37 -1.58 -0.78 6.02 -1.26 -4.56 117.38 116.32 3mbh n GLN 50 Ca 0.10 -0.97 -0.31 0.00 -0.01 0.00 0.00 57.00 55.82 3mbh n GLN 50 Cb 0.14 -1.48 0.06 0.00 1.02 0.00 0.00 30.24 29.98 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 -2.30 3.04 0.52 1.08 2.02 -1.18 -4.96 117.35 115.57 3mbh s TYR 51 Ca 0.27 1.31 0.18 0.00 -0.37 0.00 0.00 57.07 58.45 3mbh s TYR 51 Cb 0.19 -2.96 1.31 0.00 -0.40 0.00 0.00 41.96 40.10 3mbh s TYR 51 CO 0.45 -1.40 2.14 -1.35 -1.57 0.00 0.00 175.55 173.83 3mbh h PRO 52 N -0.83 0.00 -4.02 -1.71 0.11 -1.90 -3.44 132.00 120.21 3mbh h PRO 52 Ca -0.45 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.53 3mbh h PRO 52 Cb 1.23 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.22 3mbh h PRO 52 CO 0.58 0.02 -0.37 0.20 -0.21 0.00 0.00 178.00 178.23 3mbh s GLY 53 N -4.09 0.71 -0.09 -0.55 0.00 -1.26 -5.16 107.32 96.88 3mbh s GLY 53 Ca -0.05 -1.09 -0.30 0.00 0.00 0.00 0.00 44.72 43.28 3mbh s GLY 53 CO 0.66 -0.95 0.88 -0.11 0.00 0.00 0.00 173.10 173.58 3mbh s PHE 54 N -4.02 -0.45 0.48 1.90 -0.71 -1.26 -4.89 117.98 109.02 3mbh s PHE 54 Ca 0.23 0.70 -0.19 0.00 -1.04 0.00 0.00 56.93 56.63 3mbh s PHE 54 Cb 0.04 0.46 -0.09 0.00 -1.21 0.00 0.00 43.02 42.21 3mbh s PHE 54 CO 0.04 -0.47 0.98 -1.54 -1.34 0.00 0.00 175.22 172.89 3mbh s SER 55 N -1.39 6.67 -0.14 1.98 1.04 -1.26 -4.95 113.70 115.64 3mbh s SER 55 Ca -0.03 1.67 -0.06 0.00 0.48 0.00 0.00 55.95 58.00 3mbh s SER 55 Cb -0.00 -2.53 0.06 0.00 0.10 0.00 0.00 66.02 63.65 3mbh s SER 55 CO 0.02 -0.55 0.31 0.12 0.98 0.00 0.00 173.24 174.12 3mbh s PHE 56 N -2.38 -0.49 -0.14 5.02 5.36 -1.26 -3.41 117.98 120.69 3mbh s PHE 56 Ca 0.61 1.06 0.00 0.00 -0.96 0.00 0.00 56.93 57.64 3mbh s PHE 56 Cb -0.10 0.09 0.02 0.00 -0.34 0.00 0.00 43.02 42.69 3mbh s PHE 56 CO 0.23 -0.34 -0.11 -1.17 -1.46 0.00 0.00 175.22 172.37 3mbh s LEU 57 N 1.96 1.52 -0.14 6.12 2.96 0.03 -4.98 118.68 126.15 3mbh s LEU 57 Ca -0.04 -0.44 -0.29 0.00 -0.22 0.00 0.00 54.13 53.14 3mbh s LEU 57 Cb -0.11 -1.05 -0.01 0.00 0.50 0.00 0.00 46.19 45.52 3mbh s LEU 57 CO -0.10 -0.09 1.04 -0.62 -1.32 0.00 0.00 176.35 175.26 3mbh s ASP 58 N 1.57 7.18 -0.19 3.68 2.15 -1.26 -0.54 116.67 129.26 3mbh s ASP 58 Ca 0.05 1.50 0.16 0.00 0.43 0.00 0.00 52.55 54.69 3mbh s ASP 58 Cb -0.13 -2.55 0.72 0.00 -0.30 0.00 0.00 42.92 40.67 3mbh s ASP 58 CO -0.10 -0.54 1.64 0.18 -0.17 0.00 0.00 175.17 176.19 3mbh n LEU 59 N 5.49 5.05 -0.21 -1.34 4.77 -0.81 -4.67 117.00 125.27 3mbh n LEU 59 Ca 0.10 -2.79 0.01 0.00 -0.03 0.00 0.00 56.01 53.30 3mbh n LEU 59 Cb 0.48 -0.62 0.09 0.00 -2.33 0.00 0.00 43.42 41.04 3mbh n LEU 59 CO 0.52 0.69 0.78 0.74 -1.33 0.00 0.00 177.39 178.80 3mbh h THR 60 N 3.54 0.41 0.00 -5.08 2.02 -1.90 -0.25 112.91 111.66 3mbh h THR 60 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 3mbh h THR 60 Cb 1.70 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 3mbh h THR 60 CO 0.36 0.01 0.00 0.47 0.37 0.00 0.00 175.52 176.73 3mbh n ASP 61 N -5.36 0.46 -1.98 4.18 8.00 -1.26 -4.15 116.55 116.44 3mbh n ASP 61 Ca 0.09 0.57 -0.14 0.00 0.71 0.00 0.00 54.79 56.02 3mbh n ASP 61 Cb 0.36 -0.68 -0.06 0.00 -0.02 0.00 0.00 41.12 40.71 3mbh n ASP 61 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3mbh n GLU 62 N -1.96 1.82 0.00 -1.24 4.07 -0.11 -4.40 120.64 118.82 3mbh n GLU 62 Ca 0.05 -1.20 0.00 0.00 -0.06 0.00 0.00 57.16 55.95 3mbh n GLU 62 Cb 0.32 -1.72 0.00 0.00 -0.06 0.00 0.00 31.44 29.98 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 1.45 0.00 -0.15 5.31 -0.02 -1.26 -1.45 135.00 138.89 3mbh n PRO 64 Ca 0.32 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.69 3mbh n PRO 64 Cb 0.67 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 34.16 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 0.96 0.06 -0.52 1.57 -1.93 -1.29 116.57 115.43 3mbh h LYS 65 Ca 0.00 -0.42 -0.00 0.00 -1.87 0.00 0.00 60.65 58.36 3mbh h LYS 65 Cb 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3mbh h LYS 65 CO 0.00 1.08 -0.03 0.82 -0.57 0.00 0.00 179.45 180.75 3mbh h ILE 66 N 0.83 1.14 -0.93 1.86 2.04 -1.62 -2.77 117.51 118.06 3mbh h ILE 66 Ca 0.10 -0.72 0.18 0.00 1.00 0.00 0.00 64.86 65.42 3mbh h ILE 66 Cb 0.80 1.61 -0.10 0.00 -0.74 0.00 0.00 36.82 38.39 3mbh h ILE 66 CO 0.07 0.18 0.51 0.40 0.00 0.00 0.00 178.15 179.31 3mbh h ILE 67 N -0.41 0.69 -0.68 -0.67 2.04 -1.82 -0.83 117.51 115.83 3mbh h ILE 67 Ca -0.01 -0.23 -0.06 0.00 1.00 0.00 0.00 64.86 65.57 3mbh h ILE 67 Cb 0.36 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.37 3mbh h ILE 67 CO 0.01 0.12 0.21 0.00 0.00 0.00 0.00 178.15 178.49 3mbh h ALA 68 N 1.62 1.08 -0.40 1.87 0.00 -1.09 -0.16 119.26 122.17 3mbh h ALA 68 Ca 0.53 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 55.07 3mbh h ALA 68 Cb 0.82 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3mbh h ALA 68 CO -0.39 0.63 -0.34 0.93 0.00 0.00 0.00 179.25 180.07 3mbh h GLU 69 N 1.01 0.91 -0.63 0.00 4.39 -1.00 -2.13 114.58 117.13 3mbh h GLU 69 Ca 0.22 -0.45 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 3mbh h GLU 69 Cb 0.29 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 3mbh h GLU 69 CO -0.01 1.11 0.33 -1.49 -1.16 0.00 0.00 179.01 177.79 3mbh h TRP 70 N 0.76 0.85 -0.49 4.33 6.55 -0.24 0.68 115.95 128.39 3mbh h TRP 70 Ca 0.07 -0.02 -0.06 0.00 0.95 0.00 0.00 58.89 59.84 3mbh h TRP 70 Cb 0.92 -0.28 -0.02 0.00 -0.86 0.00 0.00 29.16 28.93 3mbh h TRP 70 CO 0.06 0.60 0.07 0.87 -1.05 0.00 0.00 178.44 178.99 3mbh h LYS 71 N 0.88 0.81 -0.50 0.49 1.57 -0.85 -2.19 116.57 116.78 3mbh h LYS 71 Ca 0.22 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3mbh h LYS 71 Cb 0.04 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3mbh h LYS 71 CO -0.03 0.82 0.11 0.87 -0.57 0.00 0.00 179.45 180.64 3mbh h LYS 72 N 0.68 0.76 0.00 3.15 1.57 -0.60 -1.69 116.57 120.45 3mbh h LYS 72 Ca 0.15 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3mbh h LYS 72 Cb 0.41 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3mbh h LYS 72 CO 0.01 0.70 0.00 1.28 -0.57 0.00 0.00 179.45 180.87 3mbh n LEU 73 N -4.28 0.07 -3.94 2.94 4.77 0.13 -4.90 117.00 111.79 3mbh n LEU 73 Ca 0.03 0.51 -0.29 0.00 -0.03 0.00 0.00 56.01 56.24 3mbh n LEU 73 Cb 0.23 -0.50 0.01 0.00 -2.33 0.00 0.00 43.42 40.82 3mbh n LEU 73 CO 0.40 -0.22 -0.01 -0.62 -1.33 0.00 0.00 177.39 175.61 3mbh n GLU 74 N -1.57 -4.59 -2.41 3.23 1.02 -0.63 -4.95 120.64 110.73 3mbh n GLU 74 Ca 0.04 0.53 -0.41 0.00 -0.02 0.00 0.00 57.16 57.30 3mbh n GLU 74 Cb 0.21 -5.19 -0.04 0.00 -0.02 0.00 0.00 31.44 26.40 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 -3.48 3.50 -0.09 2.62 0.11 -0.95 -5.04 120.40 117.06 3mbh s VAL 75 Ca 0.44 1.38 0.02 0.00 -2.93 0.00 0.00 61.98 60.89 3mbh s VAL 75 Cb -0.23 -3.88 -0.02 0.00 -1.53 0.00 0.00 36.38 30.72 3mbh s VAL 75 CO 0.86 0.28 -0.14 -1.10 -3.33 0.00 0.00 175.10 171.67 3mbh s GLN 76 N -0.90 2.93 -0.09 1.54 -0.21 -1.26 -4.90 119.66 116.76 3mbh s GLN 76 Ca 0.48 -0.69 -0.02 0.00 0.02 0.00 0.00 55.36 55.16 3mbh s GLN 76 Cb -0.33 -2.50 -0.03 0.00 1.00 0.00 0.00 33.01 31.15 3mbh s GLN 76 CO 0.40 0.43 -0.01 -0.06 -2.12 0.00 0.00 175.29 173.92 3mbh s PHE 77 N -0.21 3.11 -0.28 0.91 0.08 -1.26 -4.77 117.98 115.56 3mbh s PHE 77 Ca 0.01 0.12 0.20 0.00 0.12 0.00 0.00 56.93 57.37 3mbh s PHE 77 Cb -0.13 -1.80 0.14 0.00 -0.57 0.00 0.00 43.02 40.66 3mbh s PHE 77 CO 0.03 0.39 1.36 -0.44 -0.10 0.00 0.00 175.22 176.46 3mbh h ASP 78 N 5.36 0.00 -5.05 1.36 3.32 -1.20 -3.44 116.42 116.77 3mbh h ASP 78 Ca -0.48 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.50 3mbh h ASP 78 Cb 1.19 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.59 3mbh h ASP 78 CO 0.55 0.21 -0.09 0.00 -1.72 0.00 0.00 179.24 178.19 3mbh s ALA 79 N -3.14 -0.98 -0.07 3.45 0.00 -0.98 -2.69 121.76 117.36 3mbh s ALA 79 Ca 0.04 0.16 0.01 0.00 0.00 0.00 0.00 51.96 52.17 3mbh s ALA 79 Cb 0.07 0.49 0.02 0.00 0.00 0.00 0.00 23.12 23.70 3mbh s ALA 79 CO 0.73 -0.54 -0.08 0.42 0.00 0.00 0.00 175.76 176.30 3mbh s ILE 80 N -3.04 0.86 -0.12 0.00 1.01 -0.60 -1.27 121.20 118.04 3mbh s ILE 80 Ca -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 60.65 60.34 3mbh s ILE 80 Cb 0.00 -0.85 0.03 0.00 0.01 0.00 0.00 42.46 41.66 3mbh s ILE 80 CO -0.06 0.31 -0.03 -0.47 0.00 0.00 0.00 174.94 174.68 3mbh s TYR 81 N 1.05 1.19 0.15 3.97 5.04 -0.07 -0.26 117.35 128.42 3mbh s TYR 81 Ca -0.08 -0.62 0.08 0.00 -2.44 0.00 0.00 57.07 54.01 3mbh s TYR 81 Cb -0.14 -1.08 -0.04 0.00 0.35 0.00 0.00 41.96 41.05 3mbh s TYR 81 CO -0.01 -0.48 -0.06 0.95 -1.34 0.00 0.00 175.55 174.61 3mbh s THR 82 N 1.80 3.45 0.00 4.34 -4.23 0.34 -0.99 115.64 120.36 3mbh s THR 82 Ca 0.04 -1.42 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 3mbh s THR 82 Cb -0.13 -2.68 0.00 0.00 1.34 0.00 0.00 72.50 71.02 3mbh s THR 82 CO -0.07 -0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 3mbh n GLY 83 N 0.24 4.07 3.68 3.99 0.00 0.11 -1.07 105.19 116.22 3mbh n GLY 83 Ca -0.11 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 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 2.55 -4.12 1.61 4.19 -1.26 -4.49 117.16 115.64 3mbh n TYR 84 Ca 0.00 -0.17 -0.30 0.00 3.31 0.00 0.00 57.90 60.75 3mbh n TYR 84 Cb 0.00 -2.73 -0.08 0.00 0.49 0.00 0.00 39.34 37.02 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 3.19 3.50 0.03 2.98 1.43 -1.26 -3.46 118.68 125.10 3mbh s LEU 85 Ca 0.85 -0.17 0.25 0.00 -1.03 0.00 0.00 54.13 54.02 3mbh s LEU 85 Cb -0.50 -2.22 0.41 0.00 0.03 0.00 0.00 46.19 43.91 3mbh s LEU 85 CO 0.40 0.17 1.35 0.61 0.23 0.00 0.00 176.35 179.10 3mbh n GLY 86 N 0.49 -1.28 3.64 -3.19 0.00 -1.25 -4.94 105.19 98.67 3mbh n GLY 86 Ca -0.10 -0.34 -0.08 0.00 0.00 0.00 0.00 46.02 45.50 3mbh n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mbh s SER 87 N -3.37 -0.36 0.57 1.61 1.04 -1.26 -4.87 113.70 107.06 3mbh s SER 87 Ca 0.09 -0.28 0.33 0.00 0.48 0.00 0.00 55.95 56.57 3mbh s SER 87 Cb 0.16 0.59 1.70 0.00 0.10 0.00 0.00 66.02 68.58 3mbh s SER 87 CO 0.72 -1.03 2.14 -0.65 0.98 0.00 0.00 173.24 175.40 3mbh h PRO 88 N 2.00 0.00 0.00 4.02 0.11 -1.92 -2.43 132.00 133.78 3mbh h PRO 88 Ca -0.25 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 3mbh h PRO 88 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 3mbh h PRO 88 CO 0.29 0.06 -0.04 0.00 -0.21 0.00 0.00 178.00 178.10 3mbh h ARG 89 N 0.00 0.00 0.00 1.05 3.08 -1.97 -3.00 114.38 113.54 3mbh h ARG 89 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3mbh h ARG 89 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3mbh h ARG 89 CO 0.01 0.04 -0.23 1.96 -1.07 0.00 0.00 179.97 180.68 3mbh h GLN 90 N 0.00 0.00 -0.55 0.04 4.20 -1.83 -3.24 115.11 113.72 3mbh h GLN 90 Ca -0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.72 3mbh h GLN 90 Cb 0.30 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 3mbh h GLN 90 CO 0.01 0.23 0.35 0.82 -0.67 0.00 0.00 178.83 179.57 3mbh h ILE 91 N 0.00 1.10 -0.04 2.54 5.03 -1.71 0.80 117.51 125.24 3mbh h ILE 91 Ca -0.00 -0.24 -0.20 0.00 -0.12 0.00 0.00 64.86 64.30 3mbh h ILE 91 Cb 0.74 0.33 -0.00 0.00 -3.03 0.00 0.00 36.82 34.86 3mbh h ILE 91 CO 0.03 0.13 -0.82 1.56 -0.68 0.00 0.00 178.15 178.37 3mbh h GLN 92 N 0.71 0.37 -0.58 2.37 1.08 -1.79 0.18 115.11 117.46 3mbh h GLN 92 Ca 0.21 -0.35 0.01 0.00 -1.45 0.00 0.00 58.65 57.08 3mbh h GLN 92 Cb -0.03 0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.45 3mbh h GLN 92 CO -0.07 1.01 0.38 0.82 -0.95 0.00 0.00 178.83 180.02 3mbh h ILE 93 N 0.24 1.13 -0.22 2.54 2.04 -1.52 -1.50 117.51 120.21 3mbh h ILE 93 Ca -0.05 -0.26 -0.19 0.00 1.00 0.00 0.00 64.86 65.36 3mbh h ILE 93 Cb 1.42 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 3mbh h ILE 93 CO 0.14 0.14 -0.61 0.58 0.00 0.00 0.00 178.15 178.40 3mbh h VAL 94 N 0.76 1.29 -0.70 1.67 2.07 -0.53 -1.26 116.25 119.55 3mbh h VAL 94 Ca 0.22 -1.80 0.07 0.00 0.82 0.00 0.00 66.70 66.01 3mbh h VAL 94 Cb -0.06 1.81 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 3mbh h VAL 94 CO -0.06 0.58 0.38 -1.28 0.02 0.00 0.00 177.57 177.21 3mbh h SER 95 N 0.55 0.55 -0.23 0.57 0.87 -0.50 -1.22 113.55 114.14 3mbh h SER 95 Ca -0.01 0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.51 3mbh h SER 95 Cb 1.22 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 63.10 3mbh h SER 95 CO 0.13 0.34 -0.11 0.44 -0.53 0.00 0.00 176.83 177.10 3mbh h ASP 96 N 0.68 0.60 -0.19 6.23 3.32 -1.14 -1.13 116.42 124.80 3mbh h ASP 96 Ca 0.32 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 3mbh h ASP 96 Cb 0.24 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3mbh h ASP 96 CO -0.21 0.75 0.09 0.15 -1.72 0.00 0.00 179.24 178.30 3mbh h PHE 97 N 0.57 0.27 -0.57 4.55 3.57 -0.59 -0.51 116.94 124.22 3mbh h PHE 97 Ca 0.10 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 3mbh h PHE 97 Cb 0.53 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 3mbh h PHE 97 CO 0.02 0.28 0.34 0.82 -2.23 0.00 0.00 178.31 177.54 3mbh h ILE 98 N 0.17 1.17 -0.50 1.41 2.04 -1.12 0.28 117.51 120.97 3mbh h ILE 98 Ca 0.06 -0.39 0.03 0.00 1.00 0.00 0.00 64.86 65.56 3mbh h ILE 98 Cb 0.11 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 3mbh h ILE 98 CO -0.01 0.18 0.29 0.50 0.00 0.00 0.00 178.15 179.11 3mbh h LYS 99 N 0.77 0.56 0.00 2.37 3.64 -0.92 -0.93 116.57 122.06 3mbh h LYS 99 Ca 0.20 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.49 3mbh h LYS 99 Cb -0.01 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 3mbh h LYS 99 CO -0.04 0.37 -0.31 -0.44 -2.27 0.00 0.00 179.45 176.76 3mbh h ASP 100 N 0.58 0.00 -0.01 4.20 3.32 -0.69 -3.34 116.42 120.48 3mbh h ASP 100 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3mbh h ASP 100 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3mbh h ASP 100 CO -0.10 0.31 -0.11 0.49 -1.72 0.00 0.00 179.24 178.12 3mbh n PHE 101 N -3.19 0.00 -2.15 4.55 3.01 0.05 -5.00 117.46 114.73 3mbh n PHE 101 Ca 0.03 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.16 3mbh n PHE 101 Cb 0.65 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.12 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 -1.09 3.44 0.37 -1.08 1.70 -0.37 -4.58 118.95 117.33 3mbh s ARG 102 Ca 0.10 1.22 0.06 0.00 -0.47 0.00 0.00 55.73 56.63 3mbh s ARG 102 Cb 0.08 -2.05 -0.07 0.00 -0.57 0.00 0.00 34.95 32.34 3mbh s ARG 102 CO 0.19 -0.71 0.02 -0.65 -1.08 0.00 0.00 175.30 173.06 3mbh s GLN 103 N -3.93 1.81 0.34 3.89 -0.21 -1.26 -4.99 119.66 115.30 3mbh s GLN 103 Ca 0.64 -2.01 0.04 0.00 0.02 0.00 0.00 55.36 54.05 3mbh s GLN 103 Cb -0.16 -1.31 0.67 0.00 1.00 0.00 0.00 33.01 33.21 3mbh s GLN 103 CO 0.34 -0.09 1.93 -1.35 -2.12 0.00 0.00 175.29 174.00 3mbh h PRO 104 N 1.95 0.83 -0.29 2.91 0.11 -1.99 -2.35 132.00 133.17 3mbh h PRO 104 Ca -0.42 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3mbh h PRO 104 Cb 1.24 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3mbh h PRO 104 CO 0.75 0.55 0.00 -0.25 -0.21 0.00 0.00 178.00 178.84 3mbh n ASP 105 N -4.49 2.04 -4.75 -2.05 8.00 -1.26 -4.99 116.55 109.05 3mbh n ASP 105 Ca 0.12 -1.86 -0.34 0.00 0.71 0.00 0.00 54.79 53.43 3mbh n ASP 105 Cb 0.24 -0.19 0.06 0.00 -0.02 0.00 0.00 41.12 41.21 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 -1.31 4.79 -0.22 -2.24 0.01 -0.89 -4.99 113.70 108.86 3mbh s SER 106 Ca 0.31 2.14 -0.01 0.00 1.31 0.00 0.00 55.95 59.70 3mbh s SER 106 Cb 0.16 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.85 3mbh s SER 106 CO 0.23 -1.85 -0.11 -0.22 0.41 0.00 0.00 173.24 171.70 3mbh s LEU 107 N -4.93 2.81 -0.29 2.44 2.96 -1.09 -4.94 118.68 115.64 3mbh s LEU 107 Ca 0.70 -0.77 -0.09 0.00 -0.22 0.00 0.00 54.13 53.75 3mbh s LEU 107 Cb -0.24 -1.60 -0.01 0.00 0.50 0.00 0.00 46.19 44.84 3mbh s LEU 107 CO 0.42 -0.07 0.12 -0.63 -1.32 0.00 0.00 176.35 174.87 3mbh s ILE 108 N 1.32 4.43 -0.14 6.68 -1.09 -1.26 -1.56 121.20 129.58 3mbh s ILE 108 Ca 0.02 -0.39 0.01 0.00 -2.23 0.00 0.00 60.65 58.06 3mbh s ILE 108 Cb -0.15 -3.21 -0.00 0.00 -1.58 0.00 0.00 42.46 37.51 3mbh s ILE 108 CO -0.07 0.15 -0.16 -0.69 -1.23 0.00 0.00 174.94 172.93 3mbh s VAL 109 N 1.60 2.65 -0.16 2.92 1.01 0.64 0.01 120.40 129.06 3mbh s VAL 109 Ca 0.05 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.24 3mbh s VAL 109 Cb -0.17 -2.10 0.03 0.00 0.00 0.00 0.00 36.38 34.14 3mbh s VAL 109 CO 0.05 0.52 -0.12 0.00 0.00 0.00 0.00 175.10 175.55 3mbh s ALA 110 N 0.66 1.85 -0.39 5.51 0.00 -0.29 -0.50 121.76 128.59 3mbh s ALA 110 Ca -0.08 -0.97 -0.24 0.00 0.00 0.00 0.00 51.96 50.66 3mbh s ALA 110 Cb -0.16 -1.12 0.02 0.00 0.00 0.00 0.00 23.12 21.86 3mbh s ALA 110 CO 0.02 -0.55 0.85 0.34 0.00 0.00 0.00 175.76 176.42 3mbh s ASP 111 N 1.48 6.57 -1.34 0.00 -1.08 -0.23 -2.63 116.67 119.43 3mbh s ASP 111 Ca 0.03 0.33 -0.15 0.00 -0.52 0.00 0.00 52.55 52.24 3mbh s ASP 111 Cb -0.14 -2.42 0.00 0.00 -1.46 0.00 0.00 42.92 38.90 3mbh s ASP 111 CO -0.10 -0.84 2.21 -0.81 0.52 0.00 0.00 175.17 176.15 3mbh n PRO 112 N 6.67 2.65 -1.86 4.34 -0.04 -1.26 -4.25 135.00 141.26 3mbh n PRO 112 Ca 0.05 -2.44 -0.42 0.00 -0.04 0.00 0.00 63.50 60.64 3mbh n PRO 112 Cb 0.48 -3.20 -0.03 0.00 -0.04 0.00 0.00 33.50 30.72 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 3.46 3.30 0.00 0.52 1.01 -1.26 -4.72 120.40 122.70 3mbh s VAL 113 Ca 0.50 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.76 3mbh s VAL 113 Cb 0.14 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 33.08 3mbh s VAL 113 CO -0.05 -0.31 0.00 0.18 0.00 0.00 0.00 175.10 174.92 3mbh n LEU 114 N 11.34 0.02 0.00 3.92 4.77 -1.26 -4.76 117.00 131.02 3mbh n LEU 114 Ca 0.26 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3mbh n LEU 114 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3mbh n LEU 114 CO 0.68 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 3mbh n GLY 115 N 1.02 -1.61 3.71 -0.72 0.00 -1.26 -0.57 105.19 105.75 3mbh n GLY 115 Ca 0.00 -1.07 -0.06 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.12 -0.27 -1.46 1.61 -1.08 -0.52 -4.56 116.67 109.26 3mbh s ASP 116 Ca 0.00 -0.36 -0.12 0.00 -0.52 0.00 0.00 52.55 51.55 3mbh s ASP 116 Cb 0.00 0.55 0.09 0.00 -1.46 0.00 0.00 42.92 42.10 3mbh s ASP 116 CO 0.00 -0.98 0.72 0.59 0.52 0.00 0.00 175.17 176.01 3mbh n ASN 117 N -0.43 -4.18 -0.04 -0.34 5.03 -1.26 -1.82 115.26 112.22 3mbh n ASN 117 Ca -0.07 -0.63 -0.01 0.00 0.87 0.00 0.00 54.58 54.75 3mbh n ASN 117 Cb 0.61 -3.40 -0.00 0.00 -1.02 0.00 0.00 39.78 35.97 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 -1.41 0.47 3.03 7.41 0.00 -1.26 -5.01 105.19 108.43 3mbh n GLY 118 Ca 0.02 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.70 0.44 0.58 1.61 0.52 -0.76 -5.05 118.95 115.59 3mbh s ARG 119 Ca 0.00 -0.86 -0.18 0.00 -0.52 0.00 0.00 55.73 54.17 3mbh s ARG 119 Cb 0.00 0.12 -0.04 0.00 0.52 0.00 0.00 34.95 35.54 3mbh s ARG 119 CO 0.00 -0.07 1.13 -0.51 0.02 0.00 0.00 175.30 175.88 3mbh s LEU 120 N -2.03 3.65 0.81 2.53 1.43 -1.26 -1.44 118.68 122.37 3mbh s LEU 120 Ca -0.07 2.15 -0.11 0.00 -1.03 0.00 0.00 54.13 55.08 3mbh s LEU 120 Cb -0.03 -4.58 0.08 0.00 0.03 0.00 0.00 46.19 41.70 3mbh s LEU 120 CO -0.04 -1.35 1.12 -0.31 0.23 0.00 0.00 176.35 176.00 3mbh s TYR 121 N -1.89 2.20 0.21 0.29 2.02 0.27 -4.84 117.35 115.61 3mbh s TYR 121 Ca 0.72 1.65 -0.32 0.00 -0.37 0.00 0.00 57.07 58.74 3mbh s TYR 121 Cb -0.24 -3.19 -0.13 0.00 -0.40 0.00 0.00 41.96 38.00 3mbh s TYR 121 CO 0.31 -2.21 1.58 2.41 -1.57 0.00 0.00 175.55 176.07 3mbh n THR 122 N -3.64 0.39 -0.87 -0.71 -1.04 -1.26 -0.68 114.28 106.48 3mbh n THR 122 Ca 0.10 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 3mbh n THR 122 Cb 0.52 -1.72 0.00 0.00 -1.82 0.00 0.00 70.33 67.32 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 3.05 0.00 -4.79 8.00 3.02 -1.26 -5.02 115.26 118.26 3mbh n ASN 123 Ca 0.14 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.32 3mbh n ASN 123 Cb 0.32 -0.58 -0.06 0.00 -0.61 0.00 0.00 39.78 38.86 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 -3.29 3.74 0.00 3.10 0.40 0.15 -5.14 117.98 116.94 3mbh s PHE 124 Ca 0.00 1.63 0.00 0.00 -0.60 0.00 0.00 56.93 57.96 3mbh s PHE 124 Cb 0.00 -2.80 0.00 0.00 0.51 0.00 0.00 43.02 40.73 3mbh s PHE 124 CO 0.00 0.33 0.00 -0.40 0.70 0.00 0.00 175.22 175.85 3mbh n ASP 125 N 0.88 0.00 -1.83 1.36 5.68 -1.26 -4.83 116.55 116.54 3mbh n ASP 125 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 3mbh n ASP 125 Cb 0.50 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 3mbh n ASP 125 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3mbh n GLU 127 N 0.00 -2.20 0.00 0.11 -0.58 -1.26 -4.78 120.64 111.93 3mbh n GLU 127 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3mbh n GLU 127 Cb 0.00 -3.71 0.00 0.00 -0.57 0.00 0.00 31.44 27.16 3mbh n GLU 127 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3mbh n VAL 129 N -1.78 0.00 -0.26 2.62 0.31 -1.26 -1.39 118.33 116.56 3mbh n VAL 129 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3mbh n VAL 129 Cb 0.31 0.00 0.12 0.00 -0.91 0.00 0.00 33.84 33.36 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 0.77 -1.76 5.55 1.57 -1.93 -1.72 116.57 119.05 3mbh h LYS 130 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3mbh h LYS 130 Cb 0.00 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.14 3mbh h LYS 130 CO 0.00 0.51 0.00 0.39 -0.57 0.00 0.00 179.45 179.78 3mbh n GLU 131 N -4.73 0.28 0.00 3.15 -0.58 -0.49 -3.33 120.64 114.95 3mbh n GLU 131 Ca 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 3mbh n GLU 131 Cb 0.18 -1.36 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 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 1.00 0.00 -0.03 3.49 1.74 -0.65 -1.75 116.66 120.46 3mbh n ARG 133 Ca 0.00 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 3mbh n ARG 133 Cb 0.14 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.48 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 0.24 -0.83 -1.55 2.76 -1.85 -3.34 115.15 110.59 3mbh h HIS 134 Ca 0.00 -0.10 0.03 0.00 -2.20 0.00 0.00 60.37 58.10 3mbh h HIS 134 Cb 0.00 -0.04 -0.05 0.00 1.55 0.00 0.00 27.41 28.87 3mbh h HIS 134 CO 0.00 0.78 0.55 1.25 -1.30 0.00 0.00 177.93 179.21 3mbh h LEU 135 N -0.37 0.89 -2.31 0.26 5.85 -1.68 -1.81 115.31 116.15 3mbh h LEU 135 Ca -0.01 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3mbh h LEU 135 Cb 0.79 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 3mbh h LEU 135 CO 0.03 0.62 -0.04 0.16 -0.34 0.00 0.00 178.44 178.87 3mbh h ILE 136 N 1.04 0.23 0.00 4.05 3.07 -1.85 -1.19 117.51 122.86 3mbh h ILE 136 Ca 0.33 -0.26 0.00 0.00 1.55 0.00 0.00 64.86 66.48 3mbh h ILE 136 Cb 0.02 1.20 0.00 0.00 -0.27 0.00 0.00 36.82 37.77 3mbh h ILE 136 CO -0.09 0.04 0.00 0.35 -1.05 0.00 0.00 178.15 177.39 3mbh n THR 137 N -3.34 0.86 1.01 0.16 -2.24 -0.68 -2.18 114.28 107.87 3mbh n THR 137 Ca -0.02 0.26 0.11 0.00 -2.27 0.00 0.00 64.05 62.13 3mbh n THR 137 Cb 0.17 -1.18 0.04 0.00 -2.10 0.00 0.00 70.33 67.26 3mbh n THR 137 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3mbh n LYS 138 N -2.18 1.49 -3.84 -0.78 4.76 -0.45 -4.60 118.16 112.56 3mbh n LYS 138 Ca 0.02 -1.22 -0.25 0.00 -2.87 0.00 0.00 58.31 53.99 3mbh n LYS 138 Cb 0.21 -1.47 -0.03 0.00 -1.84 0.00 0.00 35.03 31.90 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 -2.35 3.90 -0.05 7.82 0.00 -0.93 -4.96 121.76 125.19 3mbh s ALA 139 Ca 0.21 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.14 3mbh s ALA 139 Cb 0.19 -1.85 -0.26 0.00 0.00 0.00 0.00 23.12 21.20 3mbh s ALA 139 CO 0.50 0.37 0.62 -0.44 0.00 0.00 0.00 175.76 176.81 3mbh h ASP 140 N 1.67 0.28 -3.35 0.00 3.32 -0.74 -3.27 116.42 114.34 3mbh h ASP 140 Ca -0.50 -0.53 -0.44 0.00 0.02 0.00 0.00 57.03 55.58 3mbh h ASP 140 Cb 1.21 -0.09 -0.36 0.00 0.22 0.00 0.00 39.33 40.31 3mbh h ASP 140 CO 0.65 1.47 -0.78 -0.69 -1.72 0.00 0.00 179.24 178.18 3mbh s VAL 141 N -2.59 0.57 0.10 -1.35 1.01 -0.63 -1.16 120.40 116.36 3mbh s VAL 141 Ca -0.13 -0.08 0.09 0.00 0.00 0.00 0.00 61.98 61.87 3mbh s VAL 141 Cb 0.07 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.78 3mbh s VAL 141 CO 0.81 0.26 -0.24 0.27 0.00 0.00 0.00 175.10 176.21 3mbh s ILE 142 N 1.36 1.97 -0.39 2.22 -4.36 -0.72 -1.13 121.20 120.15 3mbh s ILE 142 Ca -0.04 -1.55 0.11 0.00 -0.26 0.00 0.00 60.65 58.91 3mbh s ILE 142 Cb -0.13 -1.75 0.43 0.00 1.25 0.00 0.00 42.46 42.26 3mbh s ILE 142 CO -0.03 0.10 1.02 0.35 0.24 0.00 0.00 174.94 176.62 3mbh n THR 143 N 1.23 1.70 -1.75 8.37 -2.24 -1.08 -1.10 114.28 119.41 3mbh n THR 143 Ca -0.18 -4.13 -0.39 0.00 -2.27 0.00 0.00 64.05 57.07 3mbh n THR 143 Cb 0.53 -0.39 0.04 0.00 -2.10 0.00 0.00 70.33 68.40 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 -0.26 1.88 -1.85 -0.78 -0.04 -1.11 -4.65 135.00 128.20 3mbh n PRO 144 Ca 0.25 0.68 -0.29 0.00 -0.04 0.00 0.00 63.50 64.10 3mbh n PRO 144 Cb 0.72 -2.60 0.14 0.00 -0.04 0.00 0.00 33.50 31.72 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 -0.77 3.68 0.26 3.54 2.20 -1.26 -1.17 114.94 121.42 3mbh s ASN 145 Ca 0.68 0.57 -0.05 0.00 -0.94 0.00 0.00 52.86 53.12 3mbh s ASN 145 Cb -0.43 -0.86 0.31 0.00 -2.00 0.00 0.00 41.25 38.28 3mbh s ASN 145 CO 0.52 -2.41 1.93 0.25 -2.94 0.00 0.00 177.10 174.45 3mbh h LEU 146 N -1.41 1.11 0.02 3.54 5.85 -1.47 0.31 115.31 123.26 3mbh h LEU 146 Ca -0.46 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.25 3mbh h LEU 146 Cb 1.29 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 3mbh h LEU 146 CO 0.52 0.79 -0.10 0.74 -0.34 0.00 0.00 178.44 180.05 3mbh h THR 147 N 1.30 0.75 -0.19 1.05 2.02 -1.88 -2.34 112.91 113.61 3mbh h THR 147 Ca 0.37 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.50 3mbh h THR 147 Cb -0.11 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 3mbh h THR 147 CO -0.09 0.00 -0.08 -0.33 0.37 0.00 0.00 175.52 175.39 3mbh h GLU 148 N -0.19 0.29 -0.20 6.66 5.08 -1.62 -2.18 114.58 122.42 3mbh h GLU 148 Ca 0.03 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3mbh h GLU 148 Cb 0.22 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3mbh h GLU 148 CO -0.09 0.39 0.13 1.25 -1.00 0.00 0.00 179.01 179.69 3mbh h LEU 149 N 0.28 0.24 -0.58 1.33 5.85 -0.46 0.64 115.31 122.62 3mbh h LEU 149 Ca 0.06 -0.03 -0.16 0.00 0.84 0.00 0.00 57.88 58.60 3mbh h LEU 149 Cb 0.33 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3mbh h LEU 149 CO 0.02 0.19 -0.58 -0.26 -0.34 0.00 0.00 178.44 177.47 3mbh h PHE 150 N 0.26 0.52 -0.72 1.25 0.04 -1.04 -0.82 116.94 116.44 3mbh h PHE 150 Ca 0.07 -0.19 -0.00 0.00 2.80 0.00 0.00 57.97 60.65 3mbh h PHE 150 Cb -0.00 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.02 3mbh h PHE 150 CO -0.06 0.89 0.44 1.88 -0.60 0.00 0.00 178.31 180.87 3mbh h TYR 151 N 0.31 0.94 -0.58 -0.55 0.05 -1.14 -0.01 116.97 115.99 3mbh h TYR 151 Ca -0.00 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.69 3mbh h TYR 151 Cb 1.11 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 38.52 3mbh h TYR 151 CO 0.04 0.62 0.00 -0.07 -1.05 0.00 0.00 178.16 177.70 3mbh h LEU 152 N 0.98 1.00 -0.03 3.88 3.38 -0.62 -2.63 115.31 121.27 3mbh h LEU 152 Ca 0.26 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3mbh h LEU 152 Cb -0.05 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.43 3mbh h LEU 152 CO -0.05 1.06 -0.03 0.18 0.09 0.00 0.00 178.44 179.69 3mbh n LEU 153 N -4.22 0.08 -3.49 1.67 4.77 -0.33 -4.94 117.00 110.54 3mbh n LEU 153 Ca 0.02 0.28 -0.20 0.00 -0.03 0.00 0.00 56.01 56.08 3mbh n LEU 153 Cb 0.34 -0.31 0.06 0.00 -2.33 0.00 0.00 43.42 41.18 3mbh n LEU 153 CO 0.44 0.02 0.01 -0.67 -1.33 0.00 0.00 177.39 175.85 3mbh n ASP 154 N -1.28 -3.48 -4.08 -1.43 2.03 -0.09 -5.02 116.55 103.19 3mbh n ASP 154 Ca 0.13 -0.76 -0.12 0.00 0.52 0.00 0.00 54.79 54.56 3mbh n ASP 154 Cb 0.27 -4.61 -0.11 0.00 -0.72 0.00 0.00 41.12 35.95 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 -5.35 0.59 0.45 -0.67 0.41 -0.76 -5.05 118.70 108.32 3mbh s GLU 155 Ca 0.19 -0.89 -0.24 0.00 -0.41 0.00 0.00 54.97 53.63 3mbh s GLU 155 Cb -0.04 -0.26 -0.07 0.00 -1.78 0.00 0.00 34.13 31.98 3mbh s GLU 155 CO 0.77 0.03 1.20 -2.14 -0.49 0.00 0.00 175.26 174.63 3mbh s PRO 156 N -2.10 3.77 0.24 0.39 0.02 -1.26 -4.40 135.00 131.65 3mbh s PRO 156 Ca -0.05 1.87 -0.31 0.00 0.02 0.00 0.00 61.00 62.53 3mbh s PRO 156 Cb -0.06 -2.48 -0.14 0.00 0.02 0.00 0.00 34.50 31.84 3mbh s PRO 156 CO -0.01 -0.57 1.33 0.98 -0.33 0.00 0.00 177.00 178.40 3mbh n TYR 157 N -0.38 1.97 -3.74 6.54 9.36 -1.26 -4.98 117.16 124.67 3mbh n TYR 157 Ca 0.07 0.50 -0.20 0.00 3.32 0.00 0.00 57.90 61.59 3mbh n TYR 157 Cb 0.47 -2.41 -0.17 0.00 -0.63 0.00 0.00 39.34 36.59 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 -0.60 0.13 0.35 2.98 2.20 -1.26 -5.04 119.74 118.50 3mbh s LYS 158 Ca 0.67 0.25 0.23 0.00 -0.36 0.00 0.00 55.97 56.77 3mbh s LYS 158 Cb -0.68 -0.57 0.29 0.00 -1.51 0.00 0.00 37.83 35.36 3mbh s LYS 158 CO 0.52 -0.28 1.47 0.00 -0.36 0.00 0.00 175.35 176.70 3mbh h ALA 159 N 8.10 0.85 -2.17 3.13 0.00 -2.01 -3.40 119.26 123.77 3mbh h ALA 159 Ca -0.22 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.07 3mbh h ALA 159 Cb 1.12 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.51 3mbh h ALA 159 CO 0.26 0.00 -0.46 -0.40 0.00 0.00 0.00 179.25 178.65 3mbh n ASP 160 N -2.88 4.20 -4.87 0.00 5.68 -1.26 -4.64 116.55 112.79 3mbh n ASP 160 Ca 0.03 -3.50 -0.33 0.00 -0.50 0.00 0.00 54.79 50.49 3mbh n ASP 160 Cb 0.52 -0.70 -0.05 0.00 -1.14 0.00 0.00 41.12 39.74 3mbh n ASP 160 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 3mbh s SER 161 N -2.61 6.68 0.72 -1.12 0.01 -1.26 -5.11 113.70 111.00 3mbh s SER 161 Ca 0.41 0.96 -0.11 0.00 1.31 0.00 0.00 55.95 58.52 3mbh s SER 161 Cb 0.17 -2.24 0.02 0.00 0.21 0.00 0.00 66.02 64.18 3mbh s SER 161 CO -0.03 -0.02 1.10 0.42 0.41 0.00 0.00 173.24 175.12 3mbh s THR 162 N -1.72 3.31 0.17 1.44 -4.23 -1.26 -4.86 115.64 108.49 3mbh s THR 162 Ca 0.45 0.41 -0.15 0.00 -1.18 0.00 0.00 61.69 61.23 3mbh s THR 162 Cb -0.12 -3.42 0.08 0.00 1.34 0.00 0.00 72.50 70.38 3mbh s THR 162 CO 0.20 -0.55 1.71 0.44 -0.54 0.00 0.00 174.62 175.88 3mbh h ASP 163 N -0.69 -0.07 -0.78 3.99 5.19 -1.99 0.50 116.42 122.57 3mbh h ASP 163 Ca -0.45 0.09 0.11 0.00 -0.62 0.00 0.00 57.03 56.15 3mbh h ASP 163 Cb 1.26 0.13 -0.08 0.00 0.18 0.00 0.00 39.33 40.83 3mbh h ASP 163 CO 0.64 0.00 0.41 -0.08 -3.12 0.00 0.00 179.24 177.09 3mbh h GLU 164 N 0.18 0.65 -0.23 3.56 4.57 -1.99 0.15 114.58 121.45 3mbh h GLU 164 Ca 0.22 -0.04 -0.16 0.00 -1.18 0.00 0.00 59.36 58.19 3mbh h GLU 164 Cb 0.29 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.73 3mbh h GLU 164 CO -0.31 0.43 -0.52 0.93 -1.18 0.00 0.00 179.01 178.36 3mbh h GLU 165 N 0.67 0.67 -0.55 1.92 5.08 -1.73 -2.50 114.58 118.13 3mbh h GLU 165 Ca 0.39 -0.41 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 3mbh h GLU 165 Cb 0.43 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3mbh h GLU 165 CO -0.28 1.02 0.09 -0.07 -1.00 0.00 0.00 179.01 178.77 3mbh h LEU 166 N 0.52 0.83 -0.68 1.33 3.38 -0.15 -0.37 115.31 120.16 3mbh h LEU 166 Ca 0.02 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.83 3mbh h LEU 166 Cb 1.08 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 3mbh h LEU 166 CO 0.10 0.84 0.44 0.11 0.09 0.00 0.00 178.44 180.03 3mbh h LYS 167 N 0.83 0.85 -0.53 1.13 1.57 -0.58 -1.23 116.57 118.62 3mbh h LYS 167 Ca 0.17 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 3mbh h LYS 167 Cb 0.37 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3mbh h LYS 167 CO 0.01 0.57 0.22 1.49 -0.57 0.00 0.00 179.45 181.17 3mbh h GLU 168 N 0.88 0.79 -0.84 3.15 4.22 -1.05 -1.89 114.58 119.83 3mbh h GLU 168 Ca 0.26 -0.14 -0.01 0.00 0.08 0.00 0.00 59.36 59.55 3mbh h GLU 168 Cb -0.05 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.03 3mbh h GLU 168 CO -0.08 0.69 0.47 1.88 -2.18 0.00 0.00 179.01 179.79 3mbh h TYR 169 N 0.72 1.15 -0.19 0.92 0.05 -0.63 -1.39 116.97 117.61 3mbh h TYR 169 Ca 0.18 -0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.96 3mbh h TYR 169 Cb 0.18 -0.37 -0.02 0.00 1.01 0.00 0.00 36.73 37.53 3mbh h TYR 169 CO 0.00 0.80 0.05 -0.07 -1.05 0.00 0.00 178.16 177.89 3mbh h LEU 170 N 1.17 0.04 -0.12 3.88 3.38 -0.97 -1.48 115.31 121.21 3mbh h LEU 170 Ca 0.30 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.33 3mbh h LEU 170 Cb 0.02 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3mbh h LEU 170 CO -0.05 0.05 -0.09 0.03 0.09 0.00 0.00 178.44 178.47 3mbh h ARG 171 N 0.13 -0.10 -0.70 1.13 3.08 -1.11 -0.51 114.38 116.30 3mbh h ARG 171 Ca 0.08 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.17 3mbh h ARG 171 Cb 0.07 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 3mbh h ARG 171 CO -0.10 -0.07 0.45 -0.07 -1.07 0.00 0.00 179.97 179.11 3mbh h LEU 172 N -0.11 0.74 -0.73 3.04 3.38 -0.89 0.23 115.31 120.98 3mbh h LEU 172 Ca 0.08 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 3mbh h LEU 172 Cb 0.22 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3mbh h LEU 172 CO -0.19 0.52 0.03 -0.07 0.09 0.00 0.00 178.44 178.82 3mbh h LEU 173 N 0.88 0.97 -0.99 1.67 3.38 -1.16 -3.04 115.31 117.03 3mbh h LEU 173 Ca 0.28 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3mbh h LEU 173 Cb -0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 3mbh h LEU 173 CO -0.09 1.01 -0.24 -1.28 0.09 0.00 0.00 178.44 177.93 3mbh h SER 174 N 0.93 0.44 -0.05 -0.43 0.87 0.53 -1.84 113.55 114.00 3mbh h SER 174 Ca 0.17 -0.14 0.02 0.00 -1.23 0.00 0.00 61.79 60.61 3mbh h SER 174 Cb 0.50 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 3mbh h SER 174 CO 0.02 0.69 0.09 0.44 -0.53 0.00 0.00 176.83 177.54 3mbh h ASP 175 N 0.40 0.00 0.82 6.23 3.32 -0.50 -1.67 116.42 125.01 3mbh h ASP 175 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3mbh h ASP 175 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 3mbh h ASP 175 CO 0.05 0.00 -0.06 0.29 -1.72 0.00 0.00 179.24 177.80 3mbh n LYS 176 N -3.53 0.14 0.00 3.56 5.02 -0.69 -4.91 118.16 117.74 3mbh n LYS 176 Ca -0.02 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 3mbh n LYS 176 Cb 0.18 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 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 1.44 0.80 3.73 0.72 0.00 -0.63 -4.44 105.19 106.82 3mbh n GLY 177 Ca 0.09 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3mbh n GLY 177 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3mbh s PRO 178 N 0.00 4.32 0.26 1.61 0.02 -1.23 -4.91 135.00 135.07 3mbh s PRO 178 Ca 0.00 2.14 0.03 0.00 0.02 0.00 0.00 61.00 63.19 3mbh s PRO 178 Cb 0.00 -3.20 0.35 0.00 0.02 0.00 0.00 34.50 31.67 3mbh s PRO 178 CO 0.00 -0.41 1.66 0.37 -0.33 0.00 0.00 177.00 178.29 3mbh h GLN 179 N 6.15 0.39 -5.00 5.54 4.15 -1.58 -3.39 115.11 121.35 3mbh h GLN 179 Ca -0.43 -0.19 -0.62 0.00 0.77 0.00 0.00 58.65 58.18 3mbh h GLN 179 Cb 1.21 -0.00 -0.34 0.00 0.21 0.00 0.00 27.48 28.56 3mbh h GLN 179 CO 0.83 0.73 -0.85 0.08 -1.93 0.00 0.00 178.83 177.68 3mbh s VAL 180 N -4.20 1.73 -0.08 2.39 1.01 -0.31 -0.48 120.40 120.47 3mbh s VAL 180 Ca -0.06 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.14 3mbh s VAL 180 Cb 0.13 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.98 3mbh s VAL 180 CO 0.79 0.49 -0.16 -0.69 0.00 0.00 0.00 175.10 175.53 3mbh s VAL 181 N 0.67 1.45 -0.10 2.92 1.01 -0.88 -1.76 120.40 123.70 3mbh s VAL 181 Ca -0.12 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.22 3mbh s VAL 181 Cb -0.16 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 34.94 3mbh s VAL 181 CO 0.03 0.42 -0.18 -0.63 0.00 0.00 0.00 175.10 174.74 3mbh s ILE 182 N 0.53 1.66 -0.24 2.22 1.01 -0.26 -1.07 121.20 125.05 3mbh s ILE 182 Ca -0.16 -0.76 -0.05 0.00 0.00 0.00 0.00 60.65 59.68 3mbh s ILE 182 Cb -0.16 -1.47 -0.01 0.00 0.01 0.00 0.00 42.46 40.82 3mbh s ILE 182 CO 0.05 0.47 0.00 -0.63 0.00 0.00 0.00 174.94 174.84 3mbh s ILE 183 N 0.68 3.71 0.43 2.92 1.01 0.75 -2.74 121.20 127.95 3mbh s ILE 183 Ca -0.13 -0.43 0.08 0.00 0.00 0.00 0.00 60.65 60.17 3mbh s ILE 183 Cb -0.16 -2.74 0.01 0.00 0.01 0.00 0.00 42.46 39.58 3mbh s ILE 183 CO 0.03 0.35 0.53 0.42 0.00 0.00 0.00 174.94 176.27 3mbh s THR 184 N 1.52 2.85 -1.24 2.92 -4.23 -0.31 -1.17 115.64 115.98 3mbh s THR 184 Ca 0.05 -1.10 -0.07 0.00 -1.18 0.00 0.00 61.69 59.40 3mbh s THR 184 Cb -0.15 -2.95 0.01 0.00 1.34 0.00 0.00 72.50 70.75 3mbh s THR 184 CO -0.01 0.00 0.93 -1.20 -0.54 0.00 0.00 174.62 173.80 3mbh n SER 185 N -1.79 -5.83 -4.68 3.99 7.64 -1.20 -1.47 113.62 110.29 3mbh n SER 185 Ca 0.07 -0.42 -0.41 0.00 1.01 0.00 0.00 58.87 59.12 3mbh n SER 185 Cb 0.60 -4.50 -0.04 0.00 -1.01 0.00 0.00 64.21 59.26 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 -3.24 4.94 0.74 0.44 1.01 -0.52 -4.43 120.40 119.34 3mbh s VAL 186 Ca 0.46 1.52 -0.15 0.00 0.00 0.00 0.00 61.98 63.81 3mbh s VAL 186 Cb -0.20 -4.08 0.05 0.00 0.00 0.00 0.00 36.38 32.14 3mbh s VAL 186 CO 0.57 0.09 1.20 -2.84 0.00 0.00 0.00 175.10 174.12 3mbh s PRO 187 N 1.78 2.06 -0.19 2.72 0.02 -1.26 -0.53 135.00 139.60 3mbh s PRO 187 Ca 0.37 1.74 -0.03 0.00 0.02 0.00 0.00 61.00 63.09 3mbh s PRO 187 Cb -0.17 -1.83 -0.01 0.00 0.02 0.00 0.00 34.50 32.51 3mbh s PRO 187 CO 0.14 -1.89 -0.05 0.08 -0.33 0.00 0.00 177.00 174.94 3mbh s VAL 188 N -2.04 3.43 0.03 3.83 1.01 -1.25 -4.74 120.40 120.67 3mbh s VAL 188 Ca 0.74 -0.49 -0.35 0.00 0.00 0.00 0.00 61.98 61.88 3mbh s VAL 188 Cb -0.29 -2.53 -0.13 0.00 0.00 0.00 0.00 36.38 33.43 3mbh s VAL 188 CO 0.46 0.45 1.69 1.57 0.00 0.00 0.00 175.10 179.27 3mbh n HIS 189 N 4.34 2.22 -1.27 5.22 -0.00 -1.26 -1.63 115.22 122.85 3mbh n HIS 189 Ca -0.18 0.20 -0.09 0.00 0.46 0.00 0.00 57.72 58.11 3mbh n HIS 189 Cb 0.51 -2.57 -0.04 0.00 -0.12 0.00 0.00 29.99 27.77 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 4.75 -5.05 -3.37 0.26 9.92 -1.26 -4.89 116.55 116.90 3mbh n ASP 190 Ca 0.20 0.23 -0.24 0.00 -0.53 0.00 0.00 54.79 54.45 3mbh n ASP 190 Cb 0.27 -3.36 -0.09 0.00 -0.64 0.00 0.00 41.12 37.30 3mbh n ASP 190 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 3mbh s GLU 191 N -2.57 0.72 0.00 -1.24 2.02 -0.64 -5.00 118.70 111.98 3mbh s GLU 191 Ca 0.00 -1.44 0.30 0.00 0.02 0.00 0.00 54.97 53.84 3mbh s GLU 191 Cb 0.00 -1.11 1.36 0.00 0.10 0.00 0.00 34.13 34.49 3mbh s GLU 191 CO 0.00 -1.27 1.98 -0.35 0.02 0.00 0.00 175.26 175.64 3mbh n PRO 192 N 3.64 0.18 -0.20 0.39 -0.04 -1.26 -2.82 135.00 134.89 3mbh n PRO 192 Ca 0.18 -0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.72 3mbh n PRO 192 Cb 0.44 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.62 3mbh n PRO 192 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3mbh n HIS 193 N -1.41 0.52 -4.35 0.54 1.44 -1.26 -4.95 115.22 105.75 3mbh n HIS 193 Ca 0.10 -0.26 -0.20 0.00 -2.01 0.00 0.00 57.72 55.35 3mbh n HIS 193 Cb 0.30 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.30 3mbh n HIS 193 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3mbh s LYS 194 N -1.48 1.34 0.11 -1.40 1.02 -1.13 -3.19 119.74 115.02 3mbh s LYS 194 Ca 0.30 -1.53 0.06 0.00 0.02 0.00 0.00 55.97 54.82 3mbh s LYS 194 Cb 0.16 -1.28 -0.04 0.00 -0.52 0.00 0.00 37.83 36.15 3mbh s LYS 194 CO 0.22 0.24 -0.15 -0.08 -0.92 0.00 0.00 175.35 174.66 3mbh s THR 195 N -2.52 1.32 0.12 2.17 -1.32 -0.85 -3.87 115.64 110.70 3mbh s THR 195 Ca 0.20 -1.62 0.08 0.00 -1.21 0.00 0.00 61.69 59.15 3mbh s THR 195 Cb -0.03 -1.44 -0.04 0.00 -1.51 0.00 0.00 72.50 69.48 3mbh s THR 195 CO 0.08 -0.34 -0.20 -0.44 -2.21 0.00 0.00 174.62 171.50 3mbh s SER 196 N -2.26 2.57 -0.05 8.08 0.01 0.31 -0.18 113.70 122.18 3mbh s SER 196 Ca 0.06 -0.74 0.06 0.00 1.31 0.00 0.00 55.95 56.65 3mbh s SER 196 Cb -0.06 -0.14 -0.01 0.00 0.21 0.00 0.00 66.02 66.01 3mbh s SER 196 CO 0.03 0.03 -0.25 -0.69 0.41 0.00 0.00 173.24 172.77 3mbh s VAL 197 N -1.44 2.04 0.09 3.43 1.01 -0.09 -1.44 120.40 124.00 3mbh s VAL 197 Ca 0.09 -1.06 0.10 0.00 0.00 0.00 0.00 61.98 61.11 3mbh s VAL 197 Cb -0.09 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 3mbh s VAL 197 CO 0.05 0.57 -0.26 -0.31 0.00 0.00 0.00 175.10 175.14 3mbh s TYR 198 N -0.21 2.28 0.05 5.22 1.51 -0.31 -1.11 117.35 124.78 3mbh s TYR 198 Ca -0.02 -0.39 -0.13 0.00 -1.01 0.00 0.00 57.07 55.51 3mbh s TYR 198 Cb -0.13 -1.29 0.02 0.00 -0.11 0.00 0.00 41.96 40.44 3mbh s TYR 198 CO 0.03 0.24 0.28 0.00 -1.11 0.00 0.00 175.55 175.00 3mbh s ALA 199 N -0.95 -0.61 -0.01 3.71 0.00 -0.20 -0.18 121.76 123.51 3mbh s ALA 199 Ca 0.13 -0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.01 3mbh s ALA 199 Cb -0.10 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.37 3mbh s ALA 199 CO 0.04 -0.43 -0.03 -0.47 0.00 0.00 0.00 175.76 174.87 3mbh s TYR 200 N -2.73 0.32 -0.22 0.00 5.04 -0.23 -0.47 117.35 119.07 3mbh s TYR 200 Ca -0.04 -0.06 0.02 0.00 -2.44 0.00 0.00 57.07 54.55 3mbh s TYR 200 Cb -0.00 -0.23 0.04 0.00 0.35 0.00 0.00 41.96 42.12 3mbh s TYR 200 CO -0.04 -0.02 -0.13 1.21 -1.34 0.00 0.00 175.55 175.23 3mbh s ASN 201 N 0.04 3.71 0.40 4.32 3.84 -0.36 -2.08 114.94 124.81 3mbh s ASN 201 Ca -0.00 -1.02 0.10 0.00 0.21 0.00 0.00 52.86 52.16 3mbh s ASN 201 Cb -0.03 -1.40 0.82 0.00 -0.55 0.00 0.00 41.25 40.09 3mbh s ASN 201 CO -0.00 -0.13 1.93 -0.09 -2.79 0.00 0.00 177.10 176.02 3mbh h ARG 202 N 7.89 0.20 -6.48 0.43 2.43 -1.08 -0.68 114.38 117.09 3mbh h ARG 202 Ca -0.29 -0.04 -0.55 0.00 -0.81 0.00 0.00 59.98 58.29 3mbh h ARG 202 Cb 1.09 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.54 3mbh h ARG 202 CO 0.51 0.34 1.05 -1.14 -1.51 0.00 0.00 179.97 179.22 3mbh s GLN 203 N -4.71 3.40 0.00 0.20 2.00 -1.26 -2.10 119.66 117.19 3mbh s GLN 203 Ca -0.05 0.36 0.00 0.00 -2.00 0.00 0.00 55.36 53.67 3mbh s GLN 203 Cb 0.15 -4.08 0.00 0.00 0.80 0.00 0.00 33.01 29.89 3mbh s GLN 203 CO 0.73 -1.82 0.00 0.41 -0.50 0.00 0.00 175.29 174.10 3mbh n GLY 204 N 5.17 2.17 3.53 2.59 0.00 -1.26 -4.66 105.19 112.73 3mbh n GLY 204 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.80 -4.67 1.61 5.15 -0.32 -4.98 115.26 109.25 3mbh n ASN 205 Ca 0.00 -0.65 -0.31 0.00 -0.60 0.00 0.00 54.58 53.02 3mbh n ASN 205 Cb 0.00 -4.88 -0.09 0.00 -0.53 0.00 0.00 39.78 34.28 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 -5.69 2.63 -0.06 1.20 0.52 -0.87 -4.95 118.95 111.73 3mbh s ARG 206 Ca 0.14 -0.73 0.05 0.00 -0.52 0.00 0.00 55.73 54.66 3mbh s ARG 206 Cb -0.06 -2.58 -0.02 0.00 0.52 0.00 0.00 34.95 32.82 3mbh s ARG 206 CO 0.75 0.58 -0.21 0.71 0.02 0.00 0.00 175.30 177.15 3mbh s TYR 207 N -1.16 2.53 0.09 -0.53 1.51 -1.26 -1.22 117.35 117.32 3mbh s TYR 207 Ca 0.22 -0.55 0.06 0.00 -1.01 0.00 0.00 57.07 55.79 3mbh s TYR 207 Cb -0.11 -1.62 -0.03 0.00 -0.11 0.00 0.00 41.96 40.08 3mbh s TYR 207 CO 0.13 -0.10 -0.16 -1.58 -1.11 0.00 0.00 175.55 172.73 3mbh s TRP 208 N -0.29 1.44 0.01 2.71 0.52 0.38 -0.48 118.94 123.24 3mbh s TRP 208 Ca 0.01 -0.47 0.01 0.00 0.02 0.00 0.00 56.10 55.66 3mbh s TRP 208 Cb -0.13 -0.79 -0.01 0.00 -1.15 0.00 0.00 33.47 31.40 3mbh s TRP 208 CO 0.03 0.13 -0.03 0.21 0.02 0.00 0.00 176.95 177.30 3mbh s LYS 209 N -2.03 0.26 -0.01 4.98 2.20 0.33 -1.04 119.74 124.42 3mbh s LYS 209 Ca 0.03 -0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.32 3mbh s LYS 209 Cb -0.09 -0.10 0.01 0.00 -1.51 0.00 0.00 37.83 36.14 3mbh s LYS 209 CO 0.03 0.02 0.00 0.54 -0.36 0.00 0.00 175.35 175.58 3mbh s VAL 210 N -0.65 0.03 -0.13 4.02 0.11 -0.27 -0.88 120.40 122.64 3mbh s VAL 210 Ca -0.06 0.04 -0.00 0.00 -2.93 0.00 0.00 61.98 59.04 3mbh s VAL 210 Cb -0.05 -0.07 -0.02 0.00 -1.53 0.00 0.00 36.38 34.71 3mbh s VAL 210 CO -0.00 0.04 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.79 3mbh s THR 211 N 0.33 3.05 -0.01 5.04 2.01 -1.26 -0.91 115.64 123.89 3mbh s THR 211 Ca -0.03 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.31 3mbh s THR 211 Cb -0.04 -2.28 0.01 0.00 0.01 0.00 0.00 72.50 70.19 3mbh s THR 211 CO -0.01 0.53 -0.01 0.00 -0.69 0.00 0.00 174.62 174.43 3mbh n PRO 213 N 3.32 2.85 -3.52 0.00 -0.04 -1.26 -2.01 135.00 134.35 3mbh n PRO 213 Ca -0.16 -2.53 -0.11 0.00 -0.04 0.00 0.00 63.50 60.65 3mbh n PRO 213 Cb 0.57 -3.23 -0.03 0.00 -0.04 0.00 0.00 33.50 30.76 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 3.20 -0.40 -0.40 0.54 -0.85 -1.19 -4.94 117.35 113.30 3mbh s TYR 214 Ca 0.49 0.16 0.03 0.00 -0.52 0.00 0.00 57.07 57.23 3mbh s TYR 214 Cb 0.14 0.42 0.11 0.00 0.38 0.00 0.00 41.96 43.02 3mbh s TYR 214 CO -0.08 -0.78 0.13 -0.51 -1.52 0.00 0.00 175.55 172.80 3mbh s LEU 215 N -2.72 4.72 0.45 -3.49 1.43 -1.26 -2.94 118.68 114.87 3mbh s LEU 215 Ca 0.01 -2.39 0.18 0.00 -1.03 0.00 0.00 54.13 50.90 3mbh s LEU 215 Cb 0.00 -1.66 1.08 0.00 0.03 0.00 0.00 46.19 45.64 3mbh s LEU 215 CO -0.12 -0.36 1.98 1.55 0.23 0.00 0.00 176.35 179.63 3mbh h PRO 216 N 7.35 0.00 0.00 1.29 0.13 -1.97 -2.27 132.00 136.53 3mbh h PRO 216 Ca -0.06 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.04 3mbh h PRO 216 Cb 0.99 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 3mbh h PRO 216 CO 0.59 0.20 -0.15 0.00 -0.23 0.00 0.00 178.00 178.41 3mbh h ALA 217 N 1.80 1.16 0.00 -0.56 0.00 -1.98 -1.16 119.26 118.52 3mbh h ALA 217 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3mbh h ALA 217 Cb 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3mbh h ALA 217 CO 0.03 0.19 0.00 0.45 0.00 0.00 0.00 179.25 179.92 3mbh h HIS 218 N 0.00 0.00 -3.32 0.00 3.86 -1.82 -3.40 115.15 110.47 3mbh h HIS 218 Ca -0.00 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.60 3mbh h HIS 218 Cb 0.49 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.56 3mbh h HIS 218 CO 0.00 0.00 -0.74 0.71 0.86 0.00 0.00 177.93 178.76 3mbh s TYR 219 N -3.49 2.39 0.32 2.45 2.02 -0.44 -4.58 117.35 116.03 3mbh s TYR 219 Ca 0.02 -2.19 -0.28 0.00 -0.37 0.00 0.00 57.07 54.25 3mbh s TYR 219 Cb 0.09 -2.12 -0.13 0.00 -0.40 0.00 0.00 41.96 39.40 3mbh s TYR 219 CO 0.38 -0.89 1.23 -2.30 -1.57 0.00 0.00 175.55 172.40 3mbh n PRO 220 N 4.58 1.94 -0.65 -1.71 -0.02 -1.26 -2.25 135.00 135.63 3mbh n PRO 220 Ca 0.00 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3mbh n PRO 220 Cb 0.42 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 0.95 0.75 0.26 -1.23 0.00 -1.26 -4.45 105.19 100.21 3mbh n GLY 221 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.23 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 0.30 -0.25 2.61 1.35 -1.71 -1.80 112.91 113.41 3mbh h THR 222 Ca 0.00 -0.66 -0.12 0.00 -0.55 0.00 0.00 66.41 65.08 3mbh h THR 222 Cb 0.00 1.51 -0.01 0.00 -1.73 0.00 0.00 68.15 67.92 3mbh h THR 222 CO 0.00 0.10 -0.34 1.23 -0.25 0.00 0.00 175.52 176.26 3mbh h GLY 223 N 1.61 0.58 1.22 5.82 0.00 -1.91 -0.60 103.07 109.79 3mbh h GLY 223 Ca -0.00 -0.53 -0.15 0.00 0.00 0.00 0.00 47.33 46.64 3mbh h GLY 223 CO 0.01 0.48 -0.38 -0.55 0.00 0.00 0.00 176.54 176.11 3mbh h ASP 224 N 0.45 0.92 -0.18 0.19 3.32 -1.74 -0.90 116.42 118.49 3mbh h ASP 224 Ca 0.05 -0.41 -0.03 0.00 0.02 0.00 0.00 57.03 56.66 3mbh h ASP 224 Cb 0.81 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 3mbh h ASP 224 CO 0.07 1.19 -0.02 0.74 -1.72 0.00 0.00 179.24 179.50 3mbh h THR 225 N 0.71 1.27 -0.21 0.35 2.02 -1.35 -1.14 112.91 114.56 3mbh h THR 225 Ca 0.06 -0.91 0.05 0.00 0.77 0.00 0.00 66.41 66.38 3mbh h THR 225 Cb 0.96 1.52 -0.05 0.00 -1.74 0.00 0.00 68.15 68.83 3mbh h THR 225 CO 0.09 0.27 -0.13 0.15 0.37 0.00 0.00 175.52 176.28 3mbh h PHE 226 N 0.06 -0.31 -0.13 3.16 3.57 -1.07 -1.70 116.94 120.52 3mbh h PHE 226 Ca 0.05 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.43 3mbh h PHE 226 Cb 0.42 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 3mbh h PHE 226 CO 0.04 -0.19 -0.54 1.15 -2.23 0.00 0.00 178.31 176.54 3mbh h THR 227 N -0.11 1.35 -0.52 4.41 2.02 -1.14 -0.90 112.91 118.01 3mbh h THR 227 Ca 0.12 -1.82 -0.03 0.00 0.77 0.00 0.00 66.41 65.45 3mbh h THR 227 Cb 0.29 1.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.52 3mbh h THR 227 CO -0.28 0.55 0.19 0.28 0.37 0.00 0.00 175.52 176.63 3mbh h SER 228 N 0.29 0.73 -0.43 4.18 0.02 -1.02 -0.08 113.55 117.24 3mbh h SER 228 Ca 0.01 -0.18 -0.14 0.00 -0.84 0.00 0.00 61.79 60.63 3mbh h SER 228 Cb 1.04 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 3mbh h SER 228 CO 0.09 0.71 -0.28 0.58 -1.14 0.00 0.00 176.83 176.79 3mbh h VAL 229 N 0.70 1.27 -0.45 2.27 2.07 -1.10 -1.20 116.25 119.81 3mbh h VAL 229 Ca 0.17 -1.45 0.04 0.00 0.82 0.00 0.00 66.70 66.29 3mbh h VAL 229 Cb 0.22 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 3mbh h VAL 229 CO -0.01 0.49 0.21 0.40 0.02 0.00 0.00 177.57 178.68 3mbh h ILE 230 N 0.77 0.94 -0.02 4.57 1.08 -0.92 0.70 117.51 124.64 3mbh h ILE 230 Ca 0.09 -0.14 -0.00 0.00 -0.39 0.00 0.00 64.86 64.41 3mbh h ILE 230 Cb 0.86 0.48 -0.00 0.00 -3.07 0.00 0.00 36.82 35.10 3mbh h ILE 230 CO 0.08 0.08 0.01 0.74 -0.69 0.00 0.00 178.15 178.36 3mbh h THR 231 N 0.42 1.13 -0.67 -0.27 2.02 -0.83 -0.56 112.91 114.15 3mbh h THR 231 Ca 0.20 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 3mbh h THR 231 Cb 0.13 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 3mbh h THR 231 CO -0.15 0.10 0.42 1.23 0.37 0.00 0.00 175.52 177.48 3mbh h GLY 232 N -0.13 0.97 0.90 2.16 0.00 -1.06 -3.09 103.07 102.81 3mbh h GLY 232 Ca 0.01 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 3mbh h GLY 232 CO -0.00 0.38 0.06 0.23 0.00 0.00 0.00 176.54 177.21 3mbh h SER 233 N 0.91 0.50 0.00 0.19 0.87 -0.63 -0.24 113.55 115.14 3mbh h SER 233 Ca 0.24 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3mbh h SER 233 Cb -0.05 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.78 3mbh h SER 233 CO -0.05 0.62 0.00 0.18 -0.53 0.00 0.00 176.83 177.06 3mbh n LEU 234 N -4.62 0.42 0.00 2.23 4.77 -0.24 -1.23 117.00 118.33 3mbh n LEU 234 Ca -0.02 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 3mbh n LEU 234 Cb 0.21 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3mbh n LEU 234 CO 0.38 0.07 0.00 0.00 -1.33 0.00 0.00 177.39 176.51 3mbh n GLN 236 N 0.92 0.00 -0.57 3.23 6.02 -0.10 -3.98 117.38 122.89 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 0.07 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.33 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 0.00 0.70 3.79 1.08 0.00 -1.11 -5.06 105.19 104.58 3mbh n GLY 237 Ca 0.00 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.16 5.98 0.89 1.61 1.01 -0.36 -5.03 116.67 118.61 3mbh s ASP 238 Ca 0.00 2.02 -0.11 0.00 0.71 0.00 0.00 52.55 55.17 3mbh s ASP 238 Cb 0.00 -2.57 0.12 0.00 1.01 0.00 0.00 42.92 41.49 3mbh s ASP 238 CO 0.00 -1.03 1.09 -0.94 0.21 0.00 0.00 175.17 174.50 3mbh s SER 239 N -2.00 3.47 0.11 0.27 1.04 -1.26 -4.51 113.70 110.82 3mbh s SER 239 Ca 0.69 1.65 -0.21 0.00 0.48 0.00 0.00 55.95 58.57 3mbh s SER 239 Cb -0.20 -2.31 -0.09 0.00 0.10 0.00 0.00 66.02 63.53 3mbh s SER 239 CO 0.25 -2.67 1.76 0.25 0.98 0.00 0.00 173.24 173.81 3mbh h LEU 240 N -1.57 0.11 -2.75 2.42 5.85 -1.98 -0.35 115.31 117.03 3mbh h LEU 240 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3mbh h LEU 240 Cb 1.27 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.29 3mbh h LEU 240 CO 0.52 0.08 0.00 -0.81 -0.34 0.00 0.00 178.44 177.89 3mbh n PRO 241 N -5.03 0.22 0.00 5.25 -0.04 -1.26 -1.41 135.00 132.74 3mbh n PRO 241 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 3mbh n PRO 241 Cb 0.04 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 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 1.31 0.00 -0.25 0.55 0.00 -0.14 -1.77 120.51 120.21 3mbh n ALA 243 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 3mbh n ALA 243 Cb 0.11 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.71 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 0.44 -0.25 0.00 3.38 -1.50 -0.63 115.31 116.74 3mbh h LEU 244 Ca 0.00 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3mbh h LEU 244 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3mbh h LEU 244 CO 0.00 0.23 -0.00 0.44 0.09 0.00 0.00 178.44 179.20 3mbh h ASP 245 N 0.58 0.44 -0.29 -0.43 3.32 -1.62 -1.67 116.42 116.74 3mbh h ASP 245 Ca 0.37 -0.31 0.01 0.00 0.02 0.00 0.00 57.03 57.12 3mbh h ASP 245 Cb 0.43 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3mbh h ASP 245 CO -0.30 0.64 0.18 0.03 -1.72 0.00 0.00 179.24 178.07 3mbh h ARG 246 N 0.22 0.36 -0.26 3.56 3.08 -1.79 -1.09 114.38 118.46 3mbh h ARG 246 Ca 0.07 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 3mbh h ARG 246 Cb 0.42 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3mbh h ARG 246 CO 0.01 0.24 0.07 0.00 -1.07 0.00 0.00 179.97 179.21 3mbh h ALA 247 N 1.12 0.34 -0.36 0.04 0.00 -1.11 -2.13 119.26 117.16 3mbh h ALA 247 Ca 0.11 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 3mbh h ALA 247 Cb -0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3mbh h ALA 247 CO -0.04 -0.01 -0.36 1.79 0.00 0.00 0.00 179.25 180.64 3mbh h THR 248 N 0.25 1.28 -0.29 0.00 1.35 -1.23 -2.26 112.91 112.01 3mbh h THR 248 Ca 0.08 -1.52 -0.13 0.00 -0.55 0.00 0.00 66.41 64.29 3mbh h THR 248 Cb 0.28 1.37 -0.01 0.00 -1.73 0.00 0.00 68.15 68.06 3mbh h THR 248 CO 0.00 0.50 -0.35 1.56 -0.25 0.00 0.00 175.52 176.99 3mbh h GLN 249 N 0.70 0.63 -0.20 4.72 4.20 -1.18 -0.97 115.11 123.01 3mbh h GLN 249 Ca 0.07 -0.30 -0.02 0.00 0.06 0.00 0.00 58.65 58.46 3mbh h GLN 249 Cb 0.92 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 3mbh h GLN 249 CO 0.08 0.89 0.06 0.35 -0.67 0.00 0.00 178.83 179.54 3mbh h PHE 250 N 0.53 0.33 -0.75 2.96 3.57 -1.27 -1.93 116.94 120.37 3mbh h PHE 250 Ca 0.06 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 3mbh h PHE 250 Cb 0.85 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 3mbh h PHE 250 CO 0.04 0.41 0.34 0.82 -2.23 0.00 0.00 178.31 177.69 3mbh h ILE 251 N 0.15 1.25 -0.64 1.41 2.04 -1.29 -1.20 117.51 119.22 3mbh h ILE 251 Ca 0.06 -0.72 0.03 0.00 1.00 0.00 0.00 64.86 65.23 3mbh h ILE 251 Cb 0.24 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 3mbh h ILE 251 CO -0.00 0.30 0.40 0.25 0.00 0.00 0.00 178.15 179.09 3mbh h LEU 252 N 1.06 0.65 -0.47 1.44 5.85 -0.95 -0.14 115.31 122.75 3mbh h LEU 252 Ca 0.26 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 3mbh h LEU 252 Cb 0.15 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3mbh h LEU 252 CO -0.03 0.45 0.21 1.56 -0.34 0.00 0.00 178.44 180.29 3mbh h GLN 253 N 0.78 0.68 -0.41 1.25 4.20 -1.02 -0.46 115.11 120.13 3mbh h GLN 253 Ca 0.26 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 3mbh h GLN 253 Cb 0.03 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 3mbh h GLN 253 CO -0.11 0.59 0.22 0.78 -0.67 0.00 0.00 178.83 179.65 3mbh h GLY 254 N 0.61 0.60 0.25 3.46 0.00 -0.78 -1.95 103.07 105.26 3mbh h GLY 254 Ca 0.16 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 3mbh h GLY 254 CO -0.02 0.24 -0.00 -2.22 0.00 0.00 0.00 176.54 174.54 3mbh h ILE 255 N 0.57 1.55 -0.49 2.60 2.04 -0.64 -2.38 117.51 120.76 3mbh h ILE 255 Ca 0.15 -1.73 0.05 0.00 1.00 0.00 0.00 64.86 64.33 3mbh h ILE 255 Cb 0.02 2.71 -0.03 0.00 -0.74 0.00 0.00 36.82 38.78 3mbh h ILE 255 CO -0.02 0.44 0.33 0.03 0.00 0.00 0.00 178.15 178.93 3mbh h ARG 256 N -0.76 0.43 -0.01 2.37 3.08 -1.04 -0.42 114.38 118.04 3mbh h ARG 256 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3mbh h ARG 256 Cb 0.73 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.69 3mbh h ARG 256 CO 0.00 0.29 0.05 0.00 -1.07 0.00 0.00 179.97 179.24 3mbh h ALA 257 N 1.73 1.18 -0.01 0.04 0.00 -1.42 0.16 119.26 120.95 3mbh h ALA 257 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3mbh h ALA 257 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3mbh h ALA 257 CO -0.05 -0.06 -0.06 0.25 0.00 0.00 0.00 179.25 179.32 3mbh n THR 258 N -3.23 0.00 -3.05 0.00 -2.24 -0.16 -4.95 114.28 100.65 3mbh n THR 258 Ca -0.03 -0.11 -0.34 0.00 -2.27 0.00 0.00 64.05 61.30 3mbh n THR 258 Cb 0.13 0.05 -0.06 0.00 -2.10 0.00 0.00 70.33 68.35 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 -2.22 3.47 0.00 4.78 0.08 0.56 -4.26 117.98 120.39 3mbh s PHE 259 Ca 0.36 1.37 0.00 0.00 0.12 0.00 0.00 56.93 58.78 3mbh s PHE 259 Cb 0.21 -2.64 0.00 0.00 -0.57 0.00 0.00 43.02 40.02 3mbh s PHE 259 CO 0.41 0.15 0.00 0.41 -0.10 0.00 0.00 175.22 176.09 3mbh n GLY 260 N -0.00 0.86 3.82 4.36 0.00 -1.26 -5.05 105.19 107.93 3mbh n GLY 260 Ca 0.02 -0.03 -0.07 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 -2.00 -0.17 -0.25 1.61 1.13 -1.26 -5.11 117.35 111.30 3mbh s TYR 261 Ca 0.00 -0.27 -0.29 0.00 -1.41 0.00 0.00 57.07 55.10 3mbh s TYR 261 Cb 0.00 0.67 -0.01 0.00 -1.10 0.00 0.00 41.96 41.52 3mbh s TYR 261 CO 0.00 -1.21 1.39 -1.21 -2.51 0.00 0.00 175.55 172.01 3mbh s GLU 262 N -3.92 3.94 -0.02 -3.49 2.02 -1.26 -4.96 118.70 111.02 3mbh s GLU 262 Ca 0.11 1.46 0.03 0.00 0.02 0.00 0.00 54.97 56.59 3mbh s GLU 262 Cb -0.05 -3.91 -0.00 0.00 0.10 0.00 0.00 34.13 30.27 3mbh s GLU 262 CO 0.06 -1.09 -0.11 -0.47 0.02 0.00 0.00 175.26 173.67 3mbh s TYR 263 N 4.44 1.07 -0.69 1.61 5.04 -1.26 -5.08 117.35 122.49 3mbh s TYR 263 Ca 0.61 -0.24 -0.20 0.00 -2.44 0.00 0.00 57.07 54.79 3mbh s TYR 263 Cb -0.20 -0.73 0.10 0.00 0.35 0.00 0.00 41.96 41.48 3mbh s TYR 263 CO 0.24 -0.07 0.88 0.34 -1.34 0.00 0.00 175.55 175.60 3mbh s ASP 264 N -0.04 6.27 0.49 4.32 -1.08 -1.26 -4.91 116.67 120.47 3mbh s ASP 264 Ca 0.00 -1.40 0.27 0.00 -0.52 0.00 0.00 52.55 50.89 3mbh s ASP 264 Cb -0.07 -2.36 1.44 0.00 -1.46 0.00 0.00 42.92 40.47 3mbh s ASP 264 CO 0.00 -1.22 1.79 0.78 0.52 0.00 0.00 175.17 177.04 3mbh h ASN 265 N 9.23 0.00 0.60 -0.34 2.35 -1.91 0.10 115.58 125.62 3mbh h ASN 265 Ca -0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 3mbh h ASN 265 Cb 1.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.44 3mbh h ASN 265 CO 1.12 0.00 0.00 0.03 -1.65 0.00 0.00 177.43 176.93 3mbh h ARG 266 N 0.00 0.00 0.00 0.81 3.08 -1.91 -2.31 114.38 114.05 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 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 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 -2.71 0.14 0.00 0.04 1.02 0.35 -4.59 120.64 114.89 3mbh n GLU 267 Ca 0.00 0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 3mbh n GLU 267 Cb 0.20 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 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 0.63 -3.73 3.69 0.62 0.00 -0.87 -3.16 105.19 102.38 3mbh n GLY 268 Ca 0.04 -2.01 -0.35 0.00 0.00 0.00 0.00 46.02 43.70 3mbh n GLY 268 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3mbh n ILE 269 N -0.16 3.36 -2.00 -0.61 -5.35 -1.26 -4.89 119.36 108.46 3mbh n ILE 269 Ca 0.00 -0.35 -0.42 0.00 -0.27 0.00 0.00 62.75 61.71 3mbh n ILE 269 Cb 0.00 -1.31 0.00 0.00 -1.74 0.00 0.00 39.64 36.60 3mbh n ILE 269 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3mbh n LEU 270 N -2.47 6.59 -0.12 7.28 4.77 -0.90 -4.80 117.00 127.35 3mbh n LEU 270 Ca 0.14 -4.26 -0.05 0.00 -0.03 0.00 0.00 56.01 51.81 3mbh n LEU 270 Cb 0.49 -1.62 0.01 0.00 -2.33 0.00 0.00 43.42 39.97 3mbh n LEU 270 CO 0.48 1.08 0.72 0.25 -1.33 0.00 0.00 177.39 178.58 3mbh h LEU 271 N 9.68 -0.70 -1.79 2.23 5.85 -1.90 -1.66 115.31 127.02 3mbh h LEU 271 Ca 0.51 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 59.37 3mbh h LEU 271 Cb 0.67 0.37 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 3mbh h LEU 271 CO 1.76 -0.24 -0.09 -0.33 -0.34 0.00 0.00 178.44 179.21 3mbh h GLU 272 N -0.13 0.00 0.00 1.25 3.07 -2.01 -0.48 114.58 116.28 3mbh h GLU 272 Ca 0.20 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.99 3mbh h GLU 272 Cb 0.44 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 3mbh h GLU 272 CO -0.49 0.09 -0.34 -0.22 -1.40 0.00 0.00 179.01 176.65 3mbh h LYS 273 N 0.00 0.00 -0.03 2.33 1.63 -1.71 -3.32 116.57 115.47 3mbh h LYS 273 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3mbh h LYS 273 Cb 0.42 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 3mbh h LYS 273 CO 0.01 0.34 0.00 1.33 -3.45 0.00 0.00 179.45 177.68 3mbh n VAL 274 N -3.23 0.29 -0.26 2.00 0.24 -0.32 -4.76 118.33 112.30 3mbh n VAL 274 Ca 0.02 -0.64 0.04 0.00 -2.04 0.00 0.00 64.34 61.72 3mbh n VAL 274 Cb 0.63 0.90 0.27 0.00 -1.47 0.00 0.00 33.84 34.17 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 0.57 0.83 0.00 1.34 5.85 -1.32 0.28 115.31 122.87 3mbh h LEU 275 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3mbh h LEU 275 Cb 0.25 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3mbh h LEU 275 CO 0.00 0.55 0.00 1.41 -0.34 0.00 0.00 178.44 180.06 3mbh n HIS 276 N -4.48 0.00 1.34 1.25 8.25 -1.26 -2.32 115.22 118.01 3mbh n HIS 276 Ca 0.12 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.71 3mbh n HIS 276 Cb 0.18 -0.04 0.43 0.00 1.12 0.00 0.00 29.99 31.68 3mbh n HIS 276 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3mbh n ASN 277 N -1.04 1.27 0.26 0.41 3.02 0.09 -4.13 115.26 115.13 3mbh n ASN 277 Ca 0.13 -1.17 0.17 0.00 -0.03 0.00 0.00 54.58 53.68 3mbh n ASN 277 Cb 0.08 0.08 0.90 0.00 -0.61 0.00 0.00 39.78 40.22 3mbh n ASN 277 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3mbh h LEU 278 N 1.76 0.00 0.00 3.41 3.38 -1.61 -3.47 115.31 118.77 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 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3mbh h LEU 278 CO 0.00 0.00 -0.05 0.47 0.09 0.00 0.00 178.44 178.95 3mbh n ASP 279 N -3.72 0.63 -4.78 -0.43 8.00 -1.26 -5.12 116.55 109.88 3mbh n ASP 279 Ca -0.01 0.51 -0.37 0.00 0.71 0.00 0.00 54.79 55.63 3mbh n ASP 279 Cb 0.21 -0.65 -0.06 0.00 -0.02 0.00 0.00 41.12 40.61 3mbh n ASP 279 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 3mbh s PRO 281 N -3.08 4.63 -0.00 -0.24 0.02 -1.26 -5.25 135.00 129.82 3mbh s PRO 281 Ca 0.11 1.36 0.06 0.00 0.02 0.00 0.00 61.00 62.55 3mbh s PRO 281 Cb 0.14 -2.89 -0.02 0.00 0.02 0.00 0.00 34.50 31.76 3mbh s PRO 281 CO 0.59 0.32 -0.18 -1.50 -0.33 0.00 0.00 177.00 175.91 3mbh s ILE 282 N -1.54 1.40 0.00 2.83 2.07 -1.26 -5.18 121.20 119.52 3mbh s ILE 282 Ca 0.49 -0.82 0.00 0.00 -1.41 0.00 0.00 60.65 58.90 3mbh s ILE 282 Cb -0.20 -1.18 0.00 0.00 0.13 0.00 0.00 42.46 41.21 3mbh s ILE 282 CO 0.25 0.34 0.00 1.67 -1.91 0.00 0.00 174.94 175.29 3mbh n GLN 283 N 2.50 3.66 0.00 3.50 7.27 -1.26 -5.14 117.38 127.91 3mbh n GLN 283 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.92 3mbh n GLN 283 Cb 0.54 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.19 3mbh n GLN 283 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3mbh n ALA 285 N -3.00 0.00 -1.76 1.69 0.00 -1.26 -5.01 120.51 111.17 3mbh n ALA 285 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 3mbh n ALA 285 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 3mbh n ALA 285 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3mbh s SER 286 N -0.10 5.79 0.03 0.00 1.04 -1.26 -4.78 113.70 114.42 3mbh s SER 286 Ca 0.00 2.72 -0.01 0.00 0.48 0.00 0.00 55.95 59.14 3mbh s SER 286 Cb 0.00 -2.64 -0.03 0.00 0.10 0.00 0.00 66.02 63.46 3mbh s SER 286 CO 0.00 -1.21 -0.01 -0.72 0.98 0.00 0.00 173.24 172.27 3mbh s TYR 287 N -1.30 0.36 0.04 5.02 1.13 -0.06 -4.96 117.35 117.59 3mbh s TYR 287 Ca 0.64 -0.74 -0.26 0.00 -1.41 0.00 0.00 57.07 55.30 3mbh s TYR 287 Cb -0.39 -0.27 -0.05 0.00 -1.10 0.00 0.00 41.96 40.15 3mbh s TYR 287 CO 0.49 -0.29 0.80 -2.00 -2.51 0.00 0.00 175.55 172.04 3mbh s GLU 288 N -2.59 4.52 -0.45 -3.49 2.12 -1.26 -0.52 118.70 117.03 3mbh s GLU 288 Ca -0.05 1.12 -0.21 0.00 0.36 0.00 0.00 54.97 56.19 3mbh s GLU 288 Cb -0.02 -3.38 0.03 0.00 0.26 0.00 0.00 34.13 31.03 3mbh s GLU 288 CO -0.05 0.24 0.68 -0.51 -0.54 0.00 0.00 175.26 175.08 3mbh s LEU 289 N 0.07 4.49 0.00 2.70 1.43 0.37 -4.91 118.68 122.83 3mbh s LEU 289 Ca 0.40 -0.37 0.22 0.00 -1.03 0.00 0.00 54.13 53.35 3mbh s LEU 289 Cb -0.21 -2.74 0.17 0.00 0.03 0.00 0.00 46.19 43.44 3mbh s LEU 289 CO 0.24 -0.84 1.18 2.30 0.23 0.00 0.00 176.35 179.46