#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mhs n MET 1 N 0.00 1.24 -2.76 0.00 2.00 -1.26 -4.98 117.12 111.36 3mhs n MET 1 Ca 0.00 0.45 -0.21 0.00 0.00 0.00 0.00 57.70 57.94 3mhs n MET 1 Cb 0.00 -2.11 0.03 0.00 0.00 0.00 0.00 33.22 31.14 3mhs n MET 1 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3mhs s SER 2 N 0.61 5.45 0.08 7.83 1.04 -1.26 -5.12 113.70 122.33 3mhs s SER 2 Ca 0.84 0.03 0.08 0.00 0.48 0.00 0.00 55.95 57.37 3mhs s SER 2 Cb -0.93 -1.02 -0.04 0.00 0.10 0.00 0.00 66.02 64.13 3mhs s SER 2 CO 0.46 -1.00 -0.15 -0.63 0.98 0.00 0.00 173.24 172.90 3mhs s ILE 3 N -2.67 3.01 -0.15 -1.02 1.01 -1.26 -5.03 121.20 115.08 3mhs s ILE 3 Ca 0.55 -1.30 -0.34 0.00 0.00 0.00 0.00 60.65 59.55 3mhs s ILE 3 Cb -0.10 -2.35 -0.11 0.00 0.01 0.00 0.00 42.46 39.91 3mhs s ILE 3 CO 0.38 0.19 1.94 0.00 0.00 0.00 0.00 174.94 177.46 3mhs h PRO 5 N 10.00 0.00 -0.13 0.00 0.13 -1.98 -2.41 132.00 137.60 3mhs h PRO 5 Ca -0.45 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.50 3mhs h PRO 5 Cb 1.28 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.42 3mhs h PRO 5 CO 0.96 0.00 -0.64 0.45 -0.23 0.00 0.00 178.00 178.54 3mhs h HIS 6 N 0.00 0.90 -0.02 1.56 3.86 -2.00 -0.61 115.15 118.84 3mhs h HIS 6 Ca 0.00 -0.39 -0.17 0.00 -1.16 0.00 0.00 60.37 58.65 3mhs h HIS 6 Cb 0.58 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.89 3mhs h HIS 6 CO 0.00 1.20 -0.76 0.97 0.86 0.00 0.00 177.93 180.20 3mhs h ILE 7 N 0.34 1.48 -0.91 2.45 6.09 -1.94 -2.80 117.51 122.21 3mhs h ILE 7 Ca -0.04 -2.43 0.00 0.00 -1.37 0.00 0.00 64.86 61.02 3mhs h ILE 7 Cb 1.28 2.32 -0.04 0.00 0.47 0.00 0.00 36.82 40.84 3mhs h ILE 7 CO 0.13 0.70 0.58 1.56 -3.07 0.00 0.00 178.15 178.06 3mhs h GLN 8 N 0.09 1.22 -0.43 2.19 4.20 -1.36 -1.01 115.11 120.01 3mhs h GLN 8 Ca -0.02 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 3mhs h GLN 8 Cb 1.34 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 28.83 3mhs h GLN 8 CO 0.11 0.83 0.20 0.37 -0.67 0.00 0.00 178.83 179.67 3mhs h GLN 9 N 1.25 0.63 -0.72 1.46 4.15 -1.00 -2.66 115.11 118.22 3mhs h GLN 9 Ca 0.33 -0.10 -0.02 0.00 0.77 0.00 0.00 58.65 59.63 3mhs h GLN 9 Cb -0.11 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.44 3mhs h GLN 9 CO -0.07 0.55 0.37 0.28 -1.93 0.00 0.00 178.83 178.03 3mhs h VAL 10 N 0.56 1.23 0.00 2.39 2.07 -1.21 -2.58 116.25 118.71 3mhs h VAL 10 Ca 0.15 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3mhs h VAL 10 Cb 0.14 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 3mhs h VAL 10 CO -0.02 0.26 0.00 0.49 0.02 0.00 0.00 177.57 178.33 3mhs n PHE 11 N -4.44 0.00 0.37 1.57 0.99 -0.41 -2.04 117.46 113.50 3mhs n PHE 11 Ca 0.06 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.61 3mhs n PHE 11 Cb 0.12 -0.41 0.42 0.00 -1.00 0.00 0.00 39.48 38.60 3mhs n PHE 11 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 3mhs n GLN 12 N -1.41 0.12 -4.34 -1.08 6.02 -0.97 -4.51 117.38 111.20 3mhs n GLN 12 Ca 0.05 0.40 -0.33 0.00 -0.01 0.00 0.00 57.00 57.11 3mhs n GLN 12 Cb 0.15 -1.76 -0.15 0.00 1.02 0.00 0.00 30.24 29.50 3mhs n GLN 12 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3mhs s ASN 13 N -3.80 3.54 0.14 1.08 3.84 -0.87 -5.04 114.94 113.84 3mhs s ASN 13 Ca 0.04 -0.52 -0.14 0.00 0.21 0.00 0.00 52.86 52.45 3mhs s ASN 13 Cb 0.08 -1.55 0.01 0.00 -0.55 0.00 0.00 41.25 39.24 3mhs s ASN 13 CO 0.31 0.05 1.63 -0.33 -2.79 0.00 0.00 177.10 175.96 3mhs h GLU 14 N 7.60 0.76 -0.30 0.43 5.08 -1.86 0.40 114.58 126.71 3mhs h GLU 14 Ca -0.38 -0.20 -0.13 0.00 -1.00 0.00 0.00 59.36 57.65 3mhs h GLU 14 Cb 1.17 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 3mhs h GLU 14 CO 0.59 0.77 -0.34 0.87 -1.00 0.00 0.00 179.01 179.90 3mhs h LYS 15 N 0.63 0.66 -0.30 2.33 1.57 -1.96 -0.36 116.57 119.15 3mhs h LYS 15 Ca 0.14 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 3mhs h LYS 15 Cb 0.37 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3mhs h LYS 15 CO 0.01 0.91 0.16 0.77 -0.57 0.00 0.00 179.45 180.73 3mhs h SER 16 N 0.55 0.37 -0.32 0.86 0.02 -1.79 -0.16 113.55 113.08 3mhs h SER 16 Ca 0.06 -0.09 0.06 0.00 -0.84 0.00 0.00 61.79 60.98 3mhs h SER 16 Cb 0.85 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 63.24 3mhs h SER 16 CO 0.07 0.36 -0.06 0.50 -1.14 0.00 0.00 176.83 176.57 3mhs h LYS 17 N 0.36 0.03 -0.59 3.45 3.64 -0.72 -1.65 116.57 121.09 3mhs h LYS 17 Ca 0.10 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 3mhs h LYS 17 Cb 0.07 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 3mhs h LYS 17 CO -0.02 0.02 0.29 -0.44 -2.27 0.00 0.00 179.45 177.03 3mhs h ASP 18 N 0.03 0.77 -0.49 4.20 3.32 -0.90 -1.79 116.42 121.56 3mhs h ASP 18 Ca 0.15 -0.13 0.08 0.00 0.02 0.00 0.00 57.03 57.15 3mhs h ASP 18 Cb 0.23 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.52 3mhs h ASP 18 CO -0.31 0.68 0.13 1.23 -1.72 0.00 0.00 179.24 179.25 3mhs h GLY 19 N 0.80 0.61 0.91 2.75 0.00 -0.78 -0.18 103.07 107.19 3mhs h GLY 19 Ca 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.48 3mhs h GLY 19 CO -0.03 -0.04 -0.09 -2.08 0.00 0.00 0.00 176.54 174.31 3mhs h VAL 20 N 0.28 0.80 -0.54 4.60 2.07 -0.94 -1.78 116.25 120.74 3mhs h VAL 20 Ca 0.24 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.68 3mhs h VAL 20 Cb 0.30 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3mhs h VAL 20 CO -0.29 0.00 0.03 -0.07 0.02 0.00 0.00 177.57 177.26 3mhs h LEU 21 N -0.21 0.87 -0.60 2.57 3.38 -1.13 0.37 115.31 120.55 3mhs h LEU 21 Ca -0.00 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.76 3mhs h LEU 21 Cb 0.19 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3mhs h LEU 21 CO -0.01 0.91 0.40 0.50 0.09 0.00 0.00 178.44 180.33 3mhs h LYS 22 N 0.84 0.78 -0.40 1.13 3.64 -0.88 0.41 116.57 122.09 3mhs h LYS 22 Ca 0.16 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.37 3mhs h LYS 22 Cb 0.46 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3mhs h LYS 22 CO 0.02 0.52 -0.25 1.15 -2.27 0.00 0.00 179.45 178.62 3mhs h THR 23 N 0.81 1.28 -0.51 1.00 2.02 -0.88 -1.54 112.91 115.09 3mhs h THR 23 Ca 0.22 -1.41 0.02 0.00 0.77 0.00 0.00 66.41 66.02 3mhs h THR 23 Cb -0.08 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 3mhs h THR 23 CO -0.06 0.47 0.30 0.00 0.37 0.00 0.00 175.52 176.61 3mhs h ASN 25 N 0.60 0.80 -0.17 0.00 -0.26 -0.78 -1.91 115.58 113.87 3mhs h ASN 25 Ca 0.20 -0.09 -0.01 0.00 -0.56 0.00 0.00 56.30 55.84 3mhs h ASN 25 Cb 0.02 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.07 3mhs h ASN 25 CO -0.09 0.66 0.05 0.00 -1.06 0.00 0.00 177.43 176.99 3mhs h ALA 26 N 1.18 0.23 -0.40 -0.83 0.00 -0.76 0.47 119.26 119.15 3mhs h ALA 26 Ca 0.23 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3mhs h ALA 26 Cb 0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3mhs h ALA 26 CO -0.04 -0.15 0.24 0.00 0.00 0.00 0.00 179.25 179.30 3mhs h ALA 27 N 0.87 0.50 -0.24 0.00 0.00 -0.98 -0.97 119.26 118.45 3mhs h ALA 27 Ca 0.06 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3mhs h ALA 27 Cb 0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3mhs h ALA 27 CO -0.00 -0.08 -0.29 0.00 0.00 0.00 0.00 179.25 178.87 3mhs h ARG 28 N 0.49 0.48 -0.51 0.00 3.08 -1.25 -0.96 114.38 115.71 3mhs h ARG 28 Ca 0.16 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3mhs h ARG 28 Cb -0.01 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3mhs h ARG 28 CO -0.06 0.73 0.23 -0.92 -1.07 0.00 0.00 179.97 178.88 3mhs h TYR 29 N 0.42 0.74 -0.68 3.04 3.20 -0.53 -2.00 116.97 121.17 3mhs h TYR 29 Ca 0.06 -0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.90 3mhs h TYR 29 Cb 0.72 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.73 3mhs h TYR 29 CO 0.02 0.59 0.44 0.82 -1.64 0.00 0.00 178.16 178.40 3mhs h ILE 30 N 0.67 1.14 -0.22 1.81 2.04 -0.78 -1.72 117.51 120.46 3mhs h ILE 30 Ca 0.17 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.67 3mhs h ILE 30 Cb 0.14 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 3mhs h ILE 30 CO -0.02 0.16 -0.13 -0.07 0.00 0.00 0.00 178.15 178.10 3mhs h LEU 31 N 0.89 0.34 -0.01 1.44 3.38 -0.59 -2.15 115.31 118.61 3mhs h LEU 31 Ca 0.26 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3mhs h LEU 31 Cb -0.06 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3mhs h LEU 31 CO -0.07 0.50 -0.12 0.59 0.09 0.00 0.00 178.44 179.43 3mhs n ASN 32 N -4.24 0.14 -2.20 -0.43 4.13 -0.81 -4.31 115.26 107.55 3mhs n ASN 32 Ca -0.00 0.24 -0.04 0.00 1.68 0.00 0.00 54.58 56.46 3mhs n ASN 32 Cb 0.29 -0.30 0.05 0.00 -1.54 0.00 0.00 39.78 38.29 3mhs n ASN 32 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 3mhs n HIS 33 N -1.46 1.24 -4.54 3.10 8.25 -0.67 -5.03 115.22 116.10 3mhs n HIS 33 Ca 0.07 -1.79 -0.23 0.00 -0.26 0.00 0.00 57.72 55.52 3mhs n HIS 33 Cb 0.33 -0.24 -0.16 0.00 1.12 0.00 0.00 29.99 31.04 3mhs n HIS 33 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3mhs s SER 34 N -3.36 1.61 0.72 0.41 0.01 -1.06 -4.94 113.70 107.09 3mhs s SER 34 Ca 0.35 -0.26 -0.12 0.00 1.31 0.00 0.00 55.95 57.22 3mhs s SER 34 Cb 0.36 -0.62 0.03 0.00 0.21 0.00 0.00 66.02 65.99 3mhs s SER 34 CO -0.05 0.05 1.09 0.68 0.41 0.00 0.00 173.24 175.42 3mhs s VAL 35 N 0.46 3.45 0.25 3.43 -7.23 -1.26 -4.71 120.40 114.79 3mhs s VAL 35 Ca -0.10 0.53 -0.03 0.00 -1.81 0.00 0.00 61.98 60.57 3mhs s VAL 35 Cb -0.13 -3.07 0.22 0.00 0.56 0.00 0.00 36.38 33.96 3mhs s VAL 35 CO 0.02 -0.55 1.79 -0.65 -0.31 0.00 0.00 175.10 175.40 3mhs h PRO 36 N -0.66 0.69 -0.44 4.82 0.11 -2.00 -0.72 132.00 133.80 3mhs h PRO 36 Ca -0.45 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 3mhs h PRO 36 Cb 1.23 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3mhs h PRO 36 CO 0.53 0.46 -0.00 0.87 -0.21 0.00 0.00 178.00 179.65 3mhs h LYS 37 N 0.71 0.79 -0.77 1.05 1.57 -2.00 -0.87 116.57 117.05 3mhs h LYS 37 Ca 0.42 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 3mhs h LYS 37 Cb 0.47 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 3mhs h LYS 37 CO -0.29 0.85 0.44 0.93 -0.57 0.00 0.00 179.45 180.81 3mhs h GLU 38 N 0.63 1.05 -0.32 3.15 5.08 -1.75 -1.53 114.58 120.89 3mhs h GLU 38 Ca 0.13 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3mhs h GLU 38 Cb 0.50 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3mhs h GLU 38 CO 0.02 0.76 0.09 -0.22 -1.00 0.00 0.00 179.01 178.67 3mhs h LYS 39 N 1.05 0.51 -0.49 2.33 3.64 -0.69 -1.34 116.57 121.59 3mhs h LYS 39 Ca 0.27 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 59.57 3mhs h LYS 39 Cb -0.00 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 3mhs h LYS 39 CO -0.05 0.56 0.28 0.74 -2.27 0.00 0.00 179.45 178.71 3mhs h PHE 40 N 0.36 0.52 0.00 1.91 0.04 -0.99 -1.18 116.94 117.60 3mhs h PHE 40 Ca 0.10 0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.80 3mhs h PHE 40 Cb 0.27 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 3mhs h PHE 40 CO 0.01 0.29 -0.50 -0.07 -0.60 0.00 0.00 178.31 177.44 3mhs h LEU 41 N 0.56 0.00 0.00 1.54 3.38 -1.11 -2.64 115.31 117.03 3mhs h LEU 41 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3mhs h LEU 41 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3mhs h LEU 41 CO -0.11 0.44 -0.36 0.59 0.09 0.00 0.00 178.44 179.09 3mhs n ASN 42 N -3.18 1.19 0.00 -0.43 3.02 -0.52 -4.43 115.26 110.91 3mhs n ASN 42 Ca 0.02 -0.42 0.00 0.00 -0.03 0.00 0.00 54.58 54.15 3mhs n ASN 42 Cb 0.71 1.03 0.00 0.00 -0.61 0.00 0.00 39.78 40.91 3mhs n ASN 42 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3mhs n THR 43 N -1.19 0.00 -0.70 3.41 -2.24 -0.47 -4.79 114.28 108.30 3mhs n THR 43 Ca 0.00 -0.29 0.06 0.00 -2.27 0.00 0.00 64.05 61.55 3mhs n THR 43 Cb 0.04 0.91 0.08 0.00 -2.10 0.00 0.00 70.33 69.27 3mhs n THR 43 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3mhs n MET 44 N -0.70 1.86 -3.87 -0.78 2.81 -1.01 -4.67 117.12 110.77 3mhs n MET 44 Ca 0.00 -2.10 -0.36 0.00 -1.81 0.00 0.00 57.70 53.44 3mhs n MET 44 Cb 0.00 -1.27 -0.13 0.00 -0.71 0.00 0.00 33.22 31.11 3mhs n MET 44 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 3mhs s LYS 45 N -2.05 3.59 0.13 0.03 2.20 -1.13 -1.43 119.74 121.09 3mhs s LYS 45 Ca 0.19 -0.52 -0.31 0.00 -0.36 0.00 0.00 55.97 54.97 3mhs s LYS 45 Cb 0.16 -3.20 -0.08 0.00 -1.51 0.00 0.00 37.83 33.20 3mhs s LYS 45 CO 0.02 -0.13 1.40 0.00 -0.36 0.00 0.00 175.35 176.27 3mhs n GLY 47 N 3.39 -1.24 0.24 0.00 0.00 0.11 -0.60 105.19 107.08 3mhs n GLY 47 Ca 0.11 0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 3mhs n GLY 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3mhs n THR 48 N -2.21 1.37 0.58 2.61 -1.04 -1.26 -4.68 114.28 109.64 3mhs n THR 48 Ca 0.02 -0.24 0.10 0.00 -2.04 0.00 0.00 64.05 61.89 3mhs n THR 48 Cb 0.22 -1.92 -0.14 0.00 -1.82 0.00 0.00 70.33 66.67 3mhs n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3mhs n HIS 50 N -1.78 0.00 -2.60 0.00 -0.00 0.23 -4.98 115.22 106.09 3mhs n HIS 50 Ca 0.01 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.38 3mhs n HIS 50 Cb 0.41 -1.68 -0.04 0.00 -0.00 0.00 0.00 29.99 28.68 3mhs n HIS 50 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3mhs s GLU 51 N -1.91 4.00 -0.07 -0.41 2.02 -1.26 -4.59 118.70 116.48 3mhs s GLU 51 Ca 0.00 1.36 -0.18 0.00 0.02 0.00 0.00 54.97 56.17 3mhs s GLU 51 Cb 0.00 -2.25 -0.05 0.00 0.10 0.00 0.00 34.13 31.93 3mhs s GLU 51 CO 0.00 -0.26 0.49 0.42 0.02 0.00 0.00 175.26 175.93 3mhs s ILE 52 N -1.92 5.10 -1.34 -1.63 -1.09 -1.26 -1.21 121.20 117.84 3mhs s ILE 52 Ca 0.63 1.00 -0.07 0.00 -2.23 0.00 0.00 60.65 59.99 3mhs s ILE 52 Cb -0.17 -3.83 0.02 0.00 -1.58 0.00 0.00 42.46 36.91 3mhs s ILE 52 CO 0.21 0.39 1.05 0.59 -1.23 0.00 0.00 174.94 175.95 3mhs n ASN 53 N 3.14 -4.45 -3.58 3.58 5.03 -0.51 -4.87 115.26 113.60 3mhs n ASN 53 Ca -0.08 -0.63 -0.40 0.00 0.87 0.00 0.00 54.58 54.33 3mhs n ASN 53 Cb 0.52 -4.75 -0.02 0.00 -1.02 0.00 0.00 39.78 34.50 3mhs n ASN 53 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 3mhs n SER 54 N -3.02 4.83 -0.23 6.41 2.88 -1.26 -4.81 113.62 118.42 3mhs n SER 54 Ca -0.09 -2.72 0.00 0.00 -1.33 0.00 0.00 58.87 54.73 3mhs n SER 54 Cb 0.59 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 3mhs n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3mhs n GLY 55 N 4.03 -0.69 3.60 0.46 0.00 -1.26 -1.17 105.19 110.16 3mhs n GLY 55 Ca 0.57 -1.10 -0.44 0.00 0.00 0.00 0.00 46.02 45.05 3mhs n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mhs n ALA 56 N 1.17 -0.05 -2.70 4.61 0.00 -1.26 -4.67 120.51 117.61 3mhs n ALA 56 Ca 0.00 0.36 -0.34 0.00 0.00 0.00 0.00 53.44 53.46 3mhs n ALA 56 Cb 0.00 -2.04 -0.11 0.00 0.00 0.00 0.00 19.45 17.29 3mhs n ALA 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3mhs s THR 57 N -1.11 3.78 -0.12 0.00 2.01 -1.26 -1.41 115.64 117.54 3mhs s THR 57 Ca 0.59 -0.43 -0.01 0.00 0.31 0.00 0.00 61.69 62.14 3mhs s THR 57 Cb -0.66 -2.58 -0.02 0.00 0.01 0.00 0.00 72.50 69.25 3mhs s THR 57 CO 0.60 0.57 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.66 3mhs s PHE 58 N -0.51 2.92 -0.25 4.92 0.08 -0.06 -1.30 117.98 123.78 3mhs s PHE 58 Ca 0.08 -0.31 -0.19 0.00 0.12 0.00 0.00 56.93 56.63 3mhs s PHE 58 Cb -0.12 -1.84 -0.03 0.00 -0.57 0.00 0.00 43.02 40.46 3mhs s PHE 58 CO 0.02 0.02 0.54 -1.64 -0.10 0.00 0.00 175.22 174.06 3mhs s MET 59 N -0.00 4.11 0.30 0.44 -1.94 0.69 -1.18 119.30 121.72 3mhs s MET 59 Ca -0.01 0.40 -0.29 0.00 -1.71 0.00 0.00 55.69 54.07 3mhs s MET 59 Cb -0.14 -3.63 -0.11 0.00 2.01 0.00 0.00 34.83 32.97 3mhs s MET 59 CO 0.03 -0.32 1.46 0.00 -0.01 0.00 0.00 175.02 176.19 3mhs h LEU 61 N 4.26 0.00 0.00 0.00 5.85 -1.65 -3.34 115.31 120.43 3mhs h LEU 61 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3mhs h LEU 61 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3mhs h LEU 61 CO 0.73 0.34 -1.50 0.00 -0.34 0.00 0.00 178.44 177.66 3mhs n GLN 62 N -3.56 0.49 -1.45 1.25 6.02 -1.26 -4.97 117.38 113.89 3mhs n GLN 62 Ca -0.00 -0.10 0.00 0.00 -0.01 0.00 0.00 57.00 56.88 3mhs n GLN 62 Cb 0.47 -1.27 0.00 0.00 1.02 0.00 0.00 30.24 30.46 3mhs n GLN 62 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3mhs n GLY 64 N 0.00 0.08 3.77 0.00 0.00 -1.26 -4.23 105.19 103.55 3mhs n GLY 64 Ca 0.00 -0.52 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 3mhs n GLY 64 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3mhs s PHE 65 N -2.18 3.04 -0.06 1.61 5.36 -1.26 -4.76 117.98 119.73 3mhs s PHE 65 Ca 0.30 1.48 0.03 0.00 -0.96 0.00 0.00 56.93 57.78 3mhs s PHE 65 Cb 0.20 -3.55 -0.02 0.00 -0.34 0.00 0.00 43.02 39.30 3mhs s PHE 65 CO 0.40 -1.63 -0.14 0.00 -1.46 0.00 0.00 175.22 172.39 3mhs s GLY 67 N -0.52 0.11 0.63 0.00 0.00 -0.32 0.06 107.32 107.28 3mhs s GLY 67 Ca 0.07 -0.09 -0.10 0.00 0.00 0.00 0.00 44.72 44.60 3mhs s GLY 67 CO 0.01 -0.06 1.01 0.00 0.00 0.00 0.00 173.10 174.06 3mhs h TRP 69 N -0.36 0.08 -0.96 0.00 2.91 -0.92 -1.95 115.95 114.75 3mhs h TRP 69 Ca -0.45 -0.06 0.10 0.00 1.13 0.00 0.00 58.89 59.61 3mhs h TRP 69 Cb 1.22 -0.00 -0.07 0.00 -0.51 0.00 0.00 29.16 29.80 3mhs h TRP 69 CO 0.56 1.48 0.62 -0.91 -1.03 0.00 0.00 178.44 179.16 3mhs h ASN 70 N -0.84 0.91 -0.58 2.65 -0.26 -1.41 -0.38 115.58 115.66 3mhs h ASN 70 Ca -0.32 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.45 3mhs h ASN 70 Cb 1.39 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 38.49 3mhs h ASN 70 CO -0.14 0.53 0.00 1.41 -1.06 0.00 0.00 177.43 178.16 3mhs n HIS 71 N -4.55 1.65 -2.45 1.19 8.25 -1.26 -4.95 115.22 113.10 3mhs n HIS 71 Ca 0.17 -0.68 -0.19 0.00 -0.26 0.00 0.00 57.72 56.76 3mhs n HIS 71 Cb 0.30 -0.35 -0.01 0.00 1.12 0.00 0.00 29.99 31.05 3mhs n HIS 71 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3mhs n SER 72 N 0.79 -5.44 0.08 0.41 7.64 -0.15 -4.89 113.62 112.06 3mhs n SER 72 Ca 0.26 0.02 -0.09 0.00 1.01 0.00 0.00 58.87 60.07 3mhs n SER 72 Cb 1.00 -4.53 -0.10 0.00 -1.01 0.00 0.00 64.21 59.57 3mhs n SER 72 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 3mhs h HIS 73 N -0.07 0.14 -0.30 1.43 3.86 -1.61 -2.02 115.15 116.58 3mhs h HIS 73 Ca -0.45 -0.10 -0.17 0.00 -1.16 0.00 0.00 60.37 58.49 3mhs h HIS 73 Cb 1.33 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.79 3mhs h HIS 73 CO 0.59 1.04 -0.47 0.35 0.86 0.00 0.00 177.93 180.31 3mhs h PHE 74 N 0.03 1.05 -0.87 2.45 3.57 -1.59 -2.87 116.94 118.72 3mhs h PHE 74 Ca -0.04 -0.36 0.17 0.00 3.53 0.00 0.00 57.97 61.28 3mhs h PHE 74 Cb 1.76 -0.21 -0.06 0.00 2.79 0.00 0.00 35.95 40.23 3mhs h PHE 74 CO 0.02 1.17 0.57 1.25 -2.23 0.00 0.00 178.31 179.09 3mhs h LEU 75 N 0.63 0.47 -0.44 0.59 5.85 -1.77 0.36 115.31 121.01 3mhs h LEU 75 Ca 0.03 0.04 -0.18 0.00 0.84 0.00 0.00 57.88 58.61 3mhs h LEU 75 Cb 1.07 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 3mhs h LEU 75 CO 0.11 0.22 -0.73 0.28 -0.34 0.00 0.00 178.44 177.97 3mhs h SER 76 N 0.49 0.37 -0.52 1.25 0.02 -1.30 -2.57 113.55 111.30 3mhs h SER 76 Ca 0.44 -0.25 -0.07 0.00 -0.84 0.00 0.00 61.79 61.08 3mhs h SER 76 Cb 0.97 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.38 3mhs h SER 76 CO -0.18 0.98 0.08 -0.74 -1.14 0.00 0.00 176.83 175.83 3mhs h HIS 77 N 0.21 0.96 -0.36 3.45 -0.00 -0.76 0.82 115.15 119.47 3mhs h HIS 77 Ca -0.03 -0.12 -0.14 0.00 -0.00 0.00 0.00 60.37 60.08 3mhs h HIS 77 Cb 1.30 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 28.43 3mhs h HIS 77 CO 0.03 0.83 -0.34 0.66 -0.00 0.00 0.00 177.93 179.11 3mhs h SER 78 N 0.86 0.93 -0.10 3.26 4.64 -1.14 0.18 113.55 122.18 3mhs h SER 78 Ca 0.18 -0.46 -0.14 0.00 -0.47 0.00 0.00 61.79 60.89 3mhs h SER 78 Cb 0.39 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 3mhs h SER 78 CO 0.01 1.20 -0.43 0.11 -0.87 0.00 0.00 176.83 176.85 3mhs h LYS 79 N 0.67 0.64 0.09 4.77 1.57 -1.31 -2.14 116.57 120.86 3mhs h LYS 79 Ca 0.06 -0.34 -0.34 0.00 -1.87 0.00 0.00 60.65 58.16 3mhs h LYS 79 Cb 0.93 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.22 3mhs h LYS 79 CO 0.09 0.95 -1.89 1.04 -0.57 0.00 0.00 179.45 179.06 3mhs n GLN 80 N -4.02 0.72 -0.00 3.15 6.02 0.27 -4.33 117.38 119.18 3mhs n GLN 80 Ca -0.02 0.28 0.08 0.00 -0.01 0.00 0.00 57.00 57.33 3mhs n GLN 80 Cb 0.54 -1.74 -0.12 0.00 1.02 0.00 0.00 30.24 29.94 3mhs n GLN 80 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3mhs n ILE 81 N -3.34 0.00 -1.61 5.09 -0.00 0.04 -5.01 119.36 114.54 3mhs n ILE 81 Ca -0.27 -0.28 0.00 0.00 -0.00 0.00 0.00 62.75 62.21 3mhs n ILE 81 Cb 1.05 0.47 0.00 0.00 -0.00 0.00 0.00 39.64 41.16 3mhs n ILE 81 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3mhs n GLY 82 N 1.47 0.38 3.32 7.39 0.00 -0.81 -5.03 105.19 111.91 3mhs n GLY 82 Ca -0.01 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 3mhs n GLY 82 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3mhs s HIS 83 N -2.00 3.30 -1.94 1.61 3.76 -1.20 -4.93 115.29 113.88 3mhs s HIS 83 Ca 0.00 -1.28 0.26 0.00 -0.15 0.00 0.00 55.06 53.89 3mhs s HIS 83 Cb 0.00 -3.12 0.63 0.00 1.11 0.00 0.00 32.58 31.20 3mhs s HIS 83 CO 0.00 -0.84 1.49 0.44 -0.85 0.00 0.00 174.74 174.98 3mhs n ILE 84 N 5.06 0.00 -4.99 0.60 -5.35 -1.26 -3.63 119.36 109.78 3mhs n ILE 84 Ca -0.11 -0.18 -0.32 0.00 -0.27 0.00 0.00 62.75 61.86 3mhs n ILE 84 Cb 0.43 0.61 -0.16 0.00 -1.74 0.00 0.00 39.64 38.78 3mhs n ILE 84 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3mhs s PHE 85 N -2.42 2.67 0.03 4.28 0.40 -1.26 -1.05 117.98 120.64 3mhs s PHE 85 Ca 0.25 -0.90 -0.00 0.00 -0.60 0.00 0.00 56.93 55.68 3mhs s PHE 85 Cb 0.19 -1.78 -0.03 0.00 0.51 0.00 0.00 43.02 41.92 3mhs s PHE 85 CO 0.50 -0.35 -0.03 0.20 0.70 0.00 0.00 175.22 176.24 3mhs s GLY 86 N 0.39 0.35 -0.19 4.36 0.00 -1.06 -1.60 107.32 109.57 3mhs s GLY 86 Ca -0.15 -0.85 -0.06 0.00 0.00 0.00 0.00 44.72 43.66 3mhs s GLY 86 CO 0.07 -0.94 0.03 -0.42 0.00 0.00 0.00 173.10 171.85 3mhs s ILE 87 N -2.43 4.36 -0.07 0.90 -1.09 0.42 -0.90 121.20 122.38 3mhs s ILE 87 Ca -0.06 -0.18 -0.30 0.00 -2.23 0.00 0.00 60.65 57.88 3mhs s ILE 87 Cb -0.03 -2.97 -0.04 0.00 -1.58 0.00 0.00 42.46 37.84 3mhs s ILE 87 CO -0.04 0.44 1.47 0.21 -1.23 0.00 0.00 174.94 175.78 3mhs s ASN 88 N 0.73 6.80 0.06 3.58 3.84 -0.35 -0.22 114.94 129.38 3mhs s ASN 88 Ca 0.02 2.04 0.20 0.00 0.21 0.00 0.00 52.86 55.32 3mhs s ASN 88 Cb -0.14 -2.54 0.82 0.00 -0.55 0.00 0.00 41.25 38.84 3mhs s ASN 88 CO 0.02 -0.83 1.62 -1.54 -2.79 0.00 0.00 177.10 173.58 3mhs n SER 89 N 6.54 0.17 0.17 -4.21 3.41 -0.42 -0.60 113.62 118.68 3mhs n SER 89 Ca 0.15 0.53 0.09 0.00 -0.26 0.00 0.00 58.87 59.39 3mhs n SER 89 Cb 0.44 -0.57 0.10 0.00 -0.26 0.00 0.00 64.21 63.91 3mhs n SER 89 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3mhs h ASN 90 N 0.00 0.00 0.00 4.04 2.35 -1.90 -3.42 115.58 116.65 3mhs h ASN 90 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3mhs h ASN 90 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.72 3mhs h ASN 90 CO 0.00 0.13 0.00 -0.46 -1.65 0.00 0.00 177.43 175.45 3mhs n ASN 91 N -3.04 0.00 0.00 5.81 0.23 -1.06 -5.03 115.26 112.17 3mhs n ASN 91 Ca 0.02 -0.66 0.00 0.00 -0.53 0.00 0.00 54.58 53.42 3mhs n ASN 91 Cb 0.59 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.29 3mhs n ASN 91 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3mhs n GLY 92 N 0.00 0.55 3.79 4.83 0.00 0.23 -5.01 105.19 109.58 3mhs n GLY 92 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3mhs n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mhs s LEU 93 N 0.00 4.28 -0.26 0.99 1.43 -1.25 -4.73 118.68 119.15 3mhs s LEU 93 Ca 0.00 1.82 -0.12 0.00 -1.03 0.00 0.00 54.13 54.80 3mhs s LEU 93 Cb 0.00 -4.09 -0.05 0.00 0.03 0.00 0.00 46.19 42.09 3mhs s LEU 93 CO 0.00 -0.11 0.23 -0.22 0.23 0.00 0.00 176.35 176.48 3mhs s LEU 94 N -2.21 4.07 -0.15 1.79 2.96 -1.26 -1.21 118.68 122.67 3mhs s LEU 94 Ca 0.52 0.14 -0.08 0.00 -0.22 0.00 0.00 54.13 54.49 3mhs s LEU 94 Cb -0.17 -2.21 -0.04 0.00 0.50 0.00 0.00 46.19 44.26 3mhs s LEU 94 CO 0.22 -0.04 0.11 0.12 -1.32 0.00 0.00 176.35 175.45 3mhs s PHE 95 N 1.53 3.44 -0.33 5.38 5.36 -0.08 -0.42 117.98 132.86 3mhs s PHE 95 Ca 0.10 0.36 -0.12 0.00 -0.96 0.00 0.00 56.93 56.31 3mhs s PHE 95 Cb -0.15 -2.02 -0.02 0.00 -0.34 0.00 0.00 43.02 40.49 3mhs s PHE 95 CO 0.08 0.47 0.23 0.00 -1.46 0.00 0.00 175.22 174.54 3mhs n PHE 97 N 5.09 0.00 -0.02 0.00 3.72 -0.22 -0.90 117.46 125.13 3mhs n PHE 97 Ca -0.13 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.06 3mhs n PHE 97 Cb 0.50 -0.07 -0.13 0.00 -0.94 0.00 0.00 39.48 38.84 3mhs n PHE 97 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3mhs h LYS 98 N 0.00 0.19 0.00 -1.08 6.56 -1.94 -3.34 116.57 116.96 3mhs h LYS 98 Ca 0.00 -0.32 -0.01 0.00 -1.06 0.00 0.00 60.65 59.26 3mhs h LYS 98 Cb 0.06 0.12 -0.00 0.00 -0.57 0.00 0.00 32.23 31.84 3mhs h LYS 98 CO 0.00 1.16 -0.05 0.00 -2.06 0.00 0.00 179.45 178.50 3mhs n GLU 100 N -3.14 -6.81 -3.82 0.00 -0.58 -0.08 -5.00 120.64 101.23 3mhs n GLU 100 Ca 0.02 0.80 -0.12 0.00 -0.42 0.00 0.00 57.16 57.44 3mhs n GLU 100 Cb 0.42 -5.78 -0.09 0.00 -0.57 0.00 0.00 31.44 25.42 3mhs n GLU 100 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3mhs s ASP 101 N -3.17 -0.06 0.56 1.62 2.15 -0.82 -5.01 116.67 111.95 3mhs s ASP 101 Ca 0.54 -0.16 -0.17 0.00 0.43 0.00 0.00 52.55 53.19 3mhs s ASP 101 Cb -0.24 0.28 -0.05 0.00 -0.30 0.00 0.00 42.92 42.61 3mhs s ASP 101 CO 0.66 -0.48 1.06 -0.31 -0.17 0.00 0.00 175.17 175.93 3mhs s TYR 102 N -1.85 2.98 -0.60 -5.34 2.02 -1.26 -0.79 117.35 112.51 3mhs s TYR 102 Ca -0.10 1.53 -0.17 0.00 -0.37 0.00 0.00 57.07 57.96 3mhs s TYR 102 Cb -0.04 -3.04 0.13 0.00 -0.40 0.00 0.00 41.96 38.62 3mhs s TYR 102 CO 0.00 -1.06 0.60 0.42 -1.57 0.00 0.00 175.55 173.94 3mhs s ILE 103 N -2.30 5.15 -0.33 2.71 1.01 0.44 -4.85 121.20 123.02 3mhs s ILE 103 Ca 0.65 -1.50 0.07 0.00 0.00 0.00 0.00 60.65 59.87 3mhs s ILE 103 Cb -0.16 -4.40 -0.07 0.00 0.01 0.00 0.00 42.46 37.83 3mhs s ILE 103 CO 0.32 -0.97 0.30 0.61 0.00 0.00 0.00 174.94 175.20 3mhs n GLY 104 N 5.11 0.33 0.58 6.18 0.00 -1.26 -4.52 105.19 111.61 3mhs n GLY 104 Ca -0.09 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 45.82 3mhs n GLY 104 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3mhs n ASN 105 N -1.14 3.21 -4.42 1.61 0.23 -1.26 -4.86 115.26 108.63 3mhs n ASN 105 Ca 0.01 -2.79 -0.41 0.00 -0.53 0.00 0.00 54.58 50.86 3mhs n ASN 105 Cb 0.11 -0.42 -0.11 0.00 -2.08 0.00 0.00 39.78 37.28 3mhs n ASN 105 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3mhs s ILE 106 N -2.40 4.82 0.25 1.53 1.01 -1.26 -4.99 121.20 120.15 3mhs s ILE 106 Ca 0.33 -0.67 -0.06 0.00 0.00 0.00 0.00 60.65 60.26 3mhs s ILE 106 Cb 0.26 -3.63 0.24 0.00 0.01 0.00 0.00 42.46 39.35 3mhs s ILE 106 CO 0.08 -0.18 1.91 0.44 0.00 0.00 0.00 174.94 177.19 3mhs h ASP 107 N 8.47 1.11 -0.70 3.58 3.32 -2.00 -2.48 116.42 127.73 3mhs h ASP 107 Ca -0.28 -0.05 0.06 0.00 0.02 0.00 0.00 57.03 56.78 3mhs h ASP 107 Cb 1.12 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 40.34 3mhs h ASP 107 CO 0.67 0.84 0.40 0.25 -1.72 0.00 0.00 179.24 179.68 3mhs h LEU 108 N 1.29 0.61 -0.29 1.55 5.85 -1.94 -1.60 115.31 120.79 3mhs h LEU 108 Ca 0.34 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 59.00 3mhs h LEU 108 Cb -0.09 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 3mhs h LEU 108 CO -0.07 0.40 -0.14 0.40 -0.34 0.00 0.00 178.44 178.69 3mhs h ILE 109 N 0.75 1.29 -0.40 4.05 2.04 -1.86 -1.17 117.51 122.21 3mhs h ILE 109 Ca 0.31 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.94 3mhs h ILE 109 Cb 0.17 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 3mhs h ILE 109 CO -0.17 0.39 0.25 0.78 0.00 0.00 0.00 178.15 179.40 3mhs h ASN 110 N 0.36 0.47 -0.73 1.72 -0.26 -1.23 -2.77 115.58 113.14 3mhs h ASN 110 Ca 0.07 -0.02 -0.52 0.00 -0.56 0.00 0.00 56.30 55.27 3mhs h ASN 110 Cb 0.66 -0.12 -0.36 0.00 -1.06 0.00 0.00 38.32 37.44 3mhs h ASN 110 CO 0.04 0.36 -0.45 0.47 -1.06 0.00 0.00 177.43 176.79 3mhs n ASP 111 N -4.46 5.11 0.34 5.81 10.43 -0.62 -4.87 116.55 128.28 3mhs n ASP 111 Ca 0.03 -3.77 0.22 0.00 2.57 0.00 0.00 54.79 53.85 3mhs n ASP 111 Cb 0.07 -0.48 1.20 0.00 1.84 0.00 0.00 41.12 43.75 3mhs n ASP 111 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3mhs h ALA 112 N 2.01 1.02 0.00 2.24 0.00 -0.91 -1.52 119.26 122.10 3mhs h ALA 112 Ca 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 3mhs h ALA 112 Cb 1.39 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 3mhs h ALA 112 CO 0.85 -0.02 -0.08 0.97 0.00 0.00 0.00 179.25 180.97 3mhs h ILE 113 N 0.00 0.40 -0.53 0.00 6.09 -1.88 -2.15 117.51 119.43 3mhs h ILE 113 Ca 0.00 -0.45 0.00 0.00 -1.37 0.00 0.00 64.86 63.04 3mhs h ILE 113 Cb 0.03 1.32 0.00 0.00 0.47 0.00 0.00 36.82 38.64 3mhs h ILE 113 CO 0.00 0.08 0.00 0.18 -3.07 0.00 0.00 178.15 175.34 3mhs n LEU 114 N -3.48 2.88 -0.33 2.19 4.77 -0.57 -4.56 117.00 117.90 3mhs n LEU 114 Ca -0.02 -1.43 0.18 0.00 -0.03 0.00 0.00 56.01 54.71 3mhs n LEU 114 Cb 0.22 -0.36 0.42 0.00 -2.33 0.00 0.00 43.42 41.37 3mhs n LEU 114 CO 0.28 0.72 1.19 0.00 -1.33 0.00 0.00 177.39 178.25 3mhs h ALA 115 N 4.00 1.93 -0.01 -1.18 0.00 -1.54 0.88 119.26 123.34 3mhs h ALA 115 Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3mhs h ALA 115 Cb 0.72 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3mhs h ALA 115 CO 0.00 -0.34 -0.04 -0.22 0.00 0.00 0.00 179.25 178.65 3mhs h LYS 116 N 0.56 0.02 -0.25 0.00 3.64 -1.85 -2.96 116.57 115.73 3mhs h LYS 116 Ca 0.60 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.98 3mhs h LYS 116 Cb 1.23 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 3mhs h LYS 116 CO -0.37 0.06 0.00 0.66 -2.27 0.00 0.00 179.45 177.53 3mhs n TYR 117 N -4.48 0.54 -0.14 1.91 4.01 0.26 -4.81 117.16 114.45 3mhs n TYR 117 Ca -0.03 -0.67 -0.06 0.00 -0.16 0.00 0.00 57.90 56.98 3mhs n TYR 117 Cb 0.13 -0.14 0.03 0.00 -0.31 0.00 0.00 39.34 39.05 3mhs n TYR 117 CO 0.00 0.00 0.00 2.35 -0.46 0.00 0.00 176.86 178.75 3mhs h TRP 118 N 1.54 0.44 -0.46 -0.72 2.91 -1.25 -1.21 115.95 117.20 3mhs h TRP 118 Ca 0.00 0.02 0.09 0.00 1.13 0.00 0.00 58.89 60.13 3mhs h TRP 118 Cb 0.98 -0.13 -0.10 0.00 -0.51 0.00 0.00 29.16 29.40 3mhs h TRP 118 CO 0.28 0.23 -0.24 -0.44 -1.03 0.00 0.00 178.44 177.24 3mhs h ASP 119 N 0.47 -0.82 -0.83 2.65 3.32 -1.87 -0.99 116.42 118.36 3mhs h ASP 119 Ca 0.19 0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.39 3mhs h ASP 119 Cb 0.08 0.43 -0.04 0.00 0.22 0.00 0.00 39.33 40.02 3mhs h ASP 119 CO -0.12 -0.26 0.40 -0.78 -1.72 0.00 0.00 179.24 176.76 3mhs h ASP 120 N -0.14 1.09 -0.73 6.45 3.58 -1.77 -2.41 116.42 122.49 3mhs h ASP 120 Ca 0.22 -0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 3mhs h ASP 120 Cb 0.48 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.22 3mhs h ASP 120 CO -0.55 0.92 0.38 0.58 -2.88 0.00 0.00 179.24 177.69 3mhs h VAL 121 N 1.19 1.23 0.00 2.25 2.07 -0.05 -1.30 116.25 121.64 3mhs h VAL 121 Ca 0.29 -0.59 -0.10 0.00 0.82 0.00 0.00 66.70 67.12 3mhs h VAL 121 Cb 0.12 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 3mhs h VAL 121 CO -0.04 0.26 -0.45 0.00 0.02 0.00 0.00 177.57 177.36 3mhs h THR 123 N 0.00 1.30 0.00 0.00 2.02 -1.15 -3.30 112.91 111.77 3mhs h THR 123 Ca -0.00 -2.61 -0.16 0.00 0.77 0.00 0.00 66.41 64.41 3mhs h THR 123 Cb 0.99 2.86 -0.02 0.00 -1.74 0.00 0.00 68.15 70.24 3mhs h THR 123 CO 0.06 0.79 -0.74 0.11 0.37 0.00 0.00 175.52 176.10 3mhs h LYS 124 N 0.21 0.00 -4.41 6.66 1.57 -1.25 -3.48 116.57 115.87 3mhs h LYS 124 Ca -0.22 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.37 3mhs h LYS 124 Cb 2.03 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 34.17 3mhs h LYS 124 CO 0.25 0.74 -0.70 0.95 -0.57 0.00 0.00 179.45 180.12 3mhs s THR 125 N -2.94 0.43 0.27 -0.16 -4.23 -0.04 -5.09 115.64 103.88 3mhs s THR 125 Ca 0.02 -1.56 0.10 0.00 -1.18 0.00 0.00 61.69 59.06 3mhs s THR 125 Cb 0.09 -1.19 -0.05 0.00 1.34 0.00 0.00 72.50 72.69 3mhs s THR 125 CO 0.78 -0.75 -0.15 0.00 -0.54 0.00 0.00 174.62 173.96 3mhs s MET 126 N -3.02 1.57 0.75 3.99 0.23 -1.26 -4.42 119.30 117.14 3mhs s MET 126 Ca 0.02 -1.74 -0.12 0.00 -1.03 0.00 0.00 55.69 52.82 3mhs s MET 126 Cb 0.01 -1.48 0.05 0.00 -1.53 0.00 0.00 34.83 31.87 3mhs s MET 126 CO -0.05 0.22 1.11 0.14 -2.03 0.00 0.00 175.02 174.42 3mhs s VAL 127 N -2.73 3.11 0.38 5.16 -7.23 -1.26 -4.96 120.40 112.87 3mhs s VAL 127 Ca 0.28 0.42 -0.26 0.00 -1.81 0.00 0.00 61.98 60.60 3mhs s VAL 127 Cb -0.02 -2.88 -0.11 0.00 0.56 0.00 0.00 36.38 33.94 3mhs s VAL 127 CO 0.12 -0.42 1.22 -2.65 -0.31 0.00 0.00 175.10 173.07 3mhs n PRO 128 N -3.20 1.89 -2.19 4.82 -0.02 -1.26 -4.98 135.00 130.07 3mhs n PRO 128 Ca 0.10 0.67 -0.37 0.00 -2.02 0.00 0.00 63.50 61.87 3mhs n PRO 128 Cb 0.52 -2.28 -0.00 0.00 -0.02 0.00 0.00 33.50 31.73 3mhs n PRO 128 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3mhs s SER 129 N -0.47 6.08 0.25 2.55 1.04 -1.26 -4.87 113.70 117.01 3mhs s SER 129 Ca 0.59 2.39 -0.04 0.00 0.48 0.00 0.00 55.95 59.37 3mhs s SER 129 Cb -0.55 -2.61 0.46 0.00 0.10 0.00 0.00 66.02 63.42 3mhs s SER 129 CO 0.60 -0.99 1.73 -0.03 0.98 0.00 0.00 173.24 175.53 3mhs h MET 130 N 2.04 0.43 -0.57 4.02 4.05 -2.00 -1.77 114.93 121.13 3mhs h MET 130 Ca -0.50 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 58.88 3mhs h MET 130 Cb 1.25 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 31.93 3mhs h MET 130 CO 0.60 0.28 0.26 1.05 0.23 0.00 0.00 176.91 179.33 3mhs h GLU 131 N 0.44 0.81 -0.01 0.39 4.11 -2.01 -3.15 114.58 115.16 3mhs h GLU 131 Ca 0.42 -0.11 0.00 0.00 0.07 0.00 0.00 59.36 59.74 3mhs h GLU 131 Cb 0.64 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3mhs h GLU 131 CO -0.41 0.64 -0.62 0.54 0.07 0.00 0.00 179.01 179.24 3mhs n ARG 132 N -4.35 0.94 0.24 1.06 5.12 -0.73 -4.69 116.66 114.25 3mhs n ARG 132 Ca 0.05 -0.69 0.07 0.00 -1.93 0.00 0.00 57.85 55.35 3mhs n ARG 132 Cb 0.14 -1.46 0.59 0.00 -1.16 0.00 0.00 32.46 30.57 3mhs n ARG 132 CO 0.00 0.00 0.00 0.07 -1.93 0.00 0.00 177.63 175.77 3mhs h ARG 133 N 1.66 0.02 -0.17 5.56 0.11 -1.34 0.57 114.38 120.79 3mhs h ARG 133 Ca 0.00 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3mhs h ARG 133 Cb 0.66 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.74 3mhs h ARG 133 CO 0.00 0.07 0.00 -0.25 0.10 0.00 0.00 179.97 179.89 3mhs n ASP 134 N -4.48 2.86 -1.48 0.08 8.00 -1.26 -4.98 116.55 115.29 3mhs n ASP 134 Ca -0.03 -1.85 -0.14 0.00 0.71 0.00 0.00 54.79 53.48 3mhs n ASP 134 Cb 0.13 -0.10 -0.02 0.00 -0.02 0.00 0.00 41.12 41.11 3mhs n ASP 134 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mhs n GLY 135 N 1.13 0.30 3.65 0.44 0.00 0.19 -4.96 105.19 105.94 3mhs n GLY 135 Ca 0.13 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 3mhs n GLY 135 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mhs s LEU 136 N -3.89 4.12 -0.18 0.99 1.43 -1.26 -4.84 118.68 115.06 3mhs s LEU 136 Ca 0.00 0.92 -0.28 0.00 -1.03 0.00 0.00 54.13 53.74 3mhs s LEU 136 Cb 0.00 -3.03 0.11 0.00 0.03 0.00 0.00 46.19 43.30 3mhs s LEU 136 CO 0.00 -0.38 0.90 -0.55 0.23 0.00 0.00 176.35 176.55 3mhs s SER 137 N 1.28 -0.50 0.35 2.29 0.15 -1.26 -4.97 113.70 111.05 3mhs s SER 137 Ca 0.32 0.70 -0.08 0.00 0.70 0.00 0.00 55.95 57.59 3mhs s SER 137 Cb -0.16 0.63 -0.06 0.00 -1.71 0.00 0.00 66.02 64.72 3mhs s SER 137 CO 0.10 -0.35 0.68 -0.83 1.20 0.00 0.00 173.24 174.04 3mhs s GLY 138 N -0.63 1.93 -0.31 9.45 0.00 -1.26 -4.94 107.32 111.55 3mhs s GLY 138 Ca -0.02 -0.34 -0.02 0.00 0.00 0.00 0.00 44.72 44.34 3mhs s GLY 138 CO 0.02 -0.18 0.03 1.08 0.00 0.00 0.00 173.10 174.04 3mhs s LEU 139 N -3.69 4.08 0.53 0.66 1.43 -0.77 -4.83 118.68 116.09 3mhs s LEU 139 Ca 0.48 -1.36 -0.22 0.00 -1.03 0.00 0.00 54.13 52.01 3mhs s LEU 139 Cb -0.10 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 3mhs s LEU 139 CO 0.30 -0.30 1.36 -0.63 0.23 0.00 0.00 176.35 177.32 3mhs s ILE 140 N 1.25 2.11 -0.17 -0.59 1.01 -1.26 -3.26 121.20 120.29 3mhs s ILE 140 Ca -0.03 0.09 -0.29 0.00 0.00 0.00 0.00 60.65 60.41 3mhs s ILE 140 Cb -0.20 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 3mhs s ILE 140 CO -0.01 0.00 1.71 0.21 0.00 0.00 0.00 174.94 176.85 3mhs s ASN 141 N -0.91 6.36 -0.14 3.58 3.04 -1.26 -4.85 114.94 120.76 3mhs s ASN 141 Ca 0.70 1.86 0.16 0.00 0.04 0.00 0.00 52.86 55.62 3mhs s ASN 141 Cb -0.40 -2.53 0.66 0.00 -1.54 0.00 0.00 41.25 37.44 3mhs s ASN 141 CO 0.48 -1.24 1.58 0.23 -3.04 0.00 0.00 177.10 175.11 3mhs n MET 142 N 7.64 3.75 0.00 0.43 2.81 -1.26 -4.95 117.12 125.54 3mhs n MET 142 Ca 0.20 -2.86 0.00 0.00 -1.81 0.00 0.00 57.70 53.23 3mhs n MET 142 Cb 0.44 -1.90 0.00 0.00 -0.71 0.00 0.00 33.22 31.05 3mhs n MET 142 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3mhs n GLY 143 N 0.62 -1.23 2.42 3.03 0.00 -1.26 -4.89 105.19 103.88 3mhs n GLY 143 Ca 0.24 0.42 -0.16 0.00 0.00 0.00 0.00 46.02 46.52 3mhs n GLY 143 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3mhs n SER 144 N 0.00 3.52 -0.60 1.61 7.64 0.38 -4.96 113.62 121.21 3mhs n SER 144 Ca 0.00 -3.14 0.07 0.00 1.01 0.00 0.00 58.87 56.81 3mhs n SER 144 Cb 0.00 -0.43 0.20 0.00 -1.01 0.00 0.00 64.21 62.98 3mhs n SER 144 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3mhs n THR 145 N -0.55 0.40 0.25 0.44 -2.24 -1.25 -4.12 114.28 107.20 3mhs n THR 145 Ca 0.28 -0.42 0.08 0.00 -2.27 0.00 0.00 64.05 61.72 3mhs n THR 145 Cb 0.84 0.25 0.61 0.00 -2.10 0.00 0.00 70.33 69.93 3mhs n THR 145 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mhs h PHE 147 N 0.00 0.00 0.00 0.00 -5.15 -1.87 -2.13 116.94 107.79 3mhs h PHE 147 Ca -0.00 0.00 -0.18 0.00 -0.20 0.00 0.00 57.97 57.59 3mhs h PHE 147 Cb 0.18 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.33 3mhs h PHE 147 CO 0.00 0.00 -1.05 0.52 -2.00 0.00 0.00 178.31 175.78 3mhs h MET 148 N 0.00 0.00 -0.38 6.09 2.86 -1.51 -3.35 114.93 118.64 3mhs h MET 148 Ca 0.00 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 3mhs h MET 148 Cb 0.71 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.35 3mhs h MET 148 CO 0.00 0.87 -0.17 0.66 1.06 0.00 0.00 176.91 179.33 3mhs h SER 149 N -1.00 0.70 -0.73 1.22 4.64 -1.20 -0.63 113.55 116.55 3mhs h SER 149 Ca -0.27 -0.22 0.01 0.00 -0.47 0.00 0.00 61.79 60.83 3mhs h SER 149 Cb 1.17 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 63.03 3mhs h SER 149 CO -0.17 0.87 0.48 0.77 -0.87 0.00 0.00 176.83 177.92 3mhs h SER 150 N 0.63 0.83 -0.34 4.97 4.64 -1.60 -0.69 113.55 121.99 3mhs h SER 150 Ca 0.10 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.34 3mhs h SER 150 Cb 0.64 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3mhs h SER 150 CO 0.04 0.60 -0.03 0.40 -0.87 0.00 0.00 176.83 176.97 3mhs h ILE 151 N 0.98 1.27 -0.32 0.95 1.08 -1.59 -2.97 117.51 116.91 3mhs h ILE 151 Ca 0.27 -1.03 -0.04 0.00 -0.39 0.00 0.00 64.86 63.67 3mhs h ILE 151 Cb -0.10 1.26 -0.02 0.00 -3.07 0.00 0.00 36.82 34.90 3mhs h ILE 151 CO -0.06 0.34 0.03 -0.07 -0.69 0.00 0.00 178.15 177.69 3mhs h LEU 152 N 0.41 0.45 -0.56 1.44 3.38 -0.62 -0.70 115.31 119.11 3mhs h LEU 152 Ca 0.09 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3mhs h LEU 152 Cb 0.50 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3mhs h LEU 152 CO 0.02 0.50 -0.05 1.56 0.09 0.00 0.00 178.44 180.56 3mhs h GLN 153 N 0.47 1.02 -0.43 1.13 1.08 -1.13 0.86 115.11 118.12 3mhs h GLN 153 Ca 0.11 -0.35 -0.06 0.00 -1.45 0.00 0.00 58.65 56.90 3mhs h GLN 153 Cb 0.27 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 3mhs h GLN 153 CO 0.00 1.04 0.03 0.00 -0.95 0.00 0.00 178.83 178.96 3mhs h LEU 155 N 0.64 0.28 -1.98 0.00 5.85 -0.64 -2.64 115.31 116.83 3mhs h LEU 155 Ca 0.14 -0.49 -0.02 0.00 0.84 0.00 0.00 57.88 58.35 3mhs h LEU 155 Cb 0.35 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 3mhs h LEU 155 CO 0.01 0.71 -0.09 0.40 -0.34 0.00 0.00 178.44 179.13 3mhs h ILE 156 N -0.14 0.82 -0.67 4.05 5.03 -0.69 -1.80 117.51 124.09 3mhs h ILE 156 Ca 0.02 -0.34 -0.24 0.00 -0.12 0.00 0.00 64.86 64.18 3mhs h ILE 156 Cb 0.63 1.20 -0.14 0.00 -3.03 0.00 0.00 36.82 35.47 3mhs h ILE 156 CO 0.03 0.09 0.25 1.41 -0.68 0.00 0.00 178.15 179.25 3mhs n HIS 157 N -4.07 2.18 -3.66 1.37 8.25 -0.16 -4.72 115.22 114.41 3mhs n HIS 157 Ca -0.03 -1.35 -0.37 0.00 -0.26 0.00 0.00 57.72 55.72 3mhs n HIS 157 Cb 0.18 -0.66 -0.11 0.00 1.12 0.00 0.00 29.99 30.51 3mhs n HIS 157 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3mhs s ASN 158 N -1.43 5.86 0.51 0.41 3.84 -0.68 -4.93 114.94 118.52 3mhs s ASN 158 Ca 0.52 -0.02 0.19 0.00 0.21 0.00 0.00 52.86 53.77 3mhs s ASN 158 Cb 0.43 -2.07 1.30 0.00 -0.55 0.00 0.00 41.25 40.36 3mhs s ASN 158 CO 0.10 -0.01 2.11 1.55 -2.79 0.00 0.00 177.10 178.06 3mhs h PRO 159 N 8.08 0.00 -0.08 0.43 0.13 -1.90 -0.65 132.00 138.00 3mhs h PRO 159 Ca -0.36 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.60 3mhs h PRO 159 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 3mhs h PRO 159 CO 0.59 0.07 -0.62 1.88 -0.23 0.00 0.00 178.00 179.69 3mhs h TYR 160 N 0.00 0.78 -0.37 1.56 0.05 -1.94 -2.27 116.97 114.78 3mhs h TYR 160 Ca -0.00 -0.37 -0.10 0.00 0.05 0.00 0.00 58.73 58.31 3mhs h TYR 160 Cb 0.14 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 3mhs h TYR 160 CO 0.00 1.17 -0.16 0.35 -1.05 0.00 0.00 178.16 178.47 3mhs h PHE 161 N 0.16 0.87 -0.30 4.88 3.57 -1.71 -1.91 116.94 122.50 3mhs h PHE 161 Ca -0.06 -0.21 -0.10 0.00 3.53 0.00 0.00 57.97 61.13 3mhs h PHE 161 Cb 1.28 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 3mhs h PHE 161 CO 0.12 0.94 -0.24 0.82 -2.23 0.00 0.00 178.31 177.71 3mhs h ILE 162 N 0.55 1.27 -0.61 1.41 1.08 -1.20 -0.59 117.51 119.42 3mhs h ILE 162 Ca 0.08 -1.29 -0.02 0.00 -0.39 0.00 0.00 64.86 63.24 3mhs h ILE 162 Cb 0.70 1.30 -0.03 0.00 -3.07 0.00 0.00 36.82 35.72 3mhs h ILE 162 CO 0.05 0.42 0.29 -0.09 -0.69 0.00 0.00 178.15 178.13 3mhs h ARG 163 N 0.52 0.87 -0.11 2.37 2.43 -1.35 -0.04 114.38 119.06 3mhs h ARG 163 Ca 0.07 -0.13 0.04 0.00 -0.81 0.00 0.00 59.98 59.15 3mhs h ARG 163 Cb 0.69 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.05 3mhs h ARG 163 CO 0.05 0.70 -0.12 1.25 -1.51 0.00 0.00 179.97 180.35 3mhs h HIS 164 N 0.83 -0.29 -0.24 2.20 2.76 -1.06 -0.05 115.15 119.29 3mhs h HIS 164 Ca 0.21 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.34 3mhs h HIS 164 Cb 0.11 0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 3mhs h HIS 164 CO -0.00 -0.18 -0.07 1.03 -1.30 0.00 0.00 177.93 177.41 3mhs h SER 165 N -0.15 0.49 1.18 3.26 0.87 -0.91 -3.01 113.55 115.29 3mhs h SER 165 Ca 0.08 -0.38 -0.01 0.00 -1.23 0.00 0.00 61.79 60.25 3mhs h SER 165 Cb 0.26 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.09 3mhs h SER 165 CO -0.20 0.76 -0.05 0.24 -0.53 0.00 0.00 176.83 177.04 3mhs h MET 166 N 0.22 0.00 0.00 2.24 2.07 -0.95 -2.28 114.93 116.23 3mhs h MET 166 Ca 0.06 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.69 3mhs h MET 166 Cb 0.55 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.28 3mhs h MET 166 CO 0.03 0.05 0.00 -1.13 1.07 0.00 0.00 176.91 176.93 3mhs n SER 167 N -3.15 0.33 -0.43 1.22 3.41 -0.04 -4.90 113.62 110.05 3mhs n SER 167 Ca 0.01 0.56 -0.06 0.00 -0.26 0.00 0.00 58.87 59.12 3mhs n SER 167 Cb 0.38 -0.64 -0.02 0.00 -0.26 0.00 0.00 64.21 63.67 3mhs n SER 167 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mhs n GLN 168 N -1.84 -0.40 0.06 4.33 1.13 -0.86 -4.94 117.38 114.86 3mhs n GLN 168 Ca 0.04 0.69 -0.12 0.00 -1.94 0.00 0.00 57.00 55.67 3mhs n GLN 168 Cb 0.28 -4.43 -0.07 0.00 0.11 0.00 0.00 30.24 26.14 3mhs n GLN 168 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 3mhs h ILE 169 N 0.00 0.94 0.00 5.09 1.08 -1.79 -0.36 117.51 122.47 3mhs h ILE 169 Ca -0.11 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.36 3mhs h ILE 169 Cb 0.37 0.94 0.00 0.00 -3.07 0.00 0.00 36.82 35.06 3mhs h ILE 169 CO 0.17 0.00 -0.00 -0.74 -0.69 0.00 0.00 178.15 176.89 3mhs h HIS 170 N -0.06 -0.00 -0.91 1.37 2.76 -1.89 -3.15 115.15 113.26 3mhs h HIS 170 Ca -0.00 -0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.35 3mhs h HIS 170 Cb 0.06 0.00 -0.11 0.00 1.55 0.00 0.00 27.41 28.91 3mhs h HIS 170 CO -0.09 0.37 0.48 1.03 -1.30 0.00 0.00 177.93 178.42 3mhs h SER 171 N -0.37 0.56 0.40 3.26 0.87 -1.88 -0.57 113.55 115.83 3mhs h SER 171 Ca -0.00 0.11 -0.08 0.00 -1.23 0.00 0.00 61.79 60.59 3mhs h SER 171 Cb 0.37 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 3mhs h SER 171 CO 0.00 0.18 -0.38 0.78 -0.53 0.00 0.00 176.83 176.89 3mhs h ASN 172 N 0.61 0.00 -0.01 6.23 -0.26 -1.02 -3.29 115.58 117.84 3mhs h ASN 172 Ca 0.52 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.26 3mhs h ASN 172 Cb 0.83 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.09 3mhs h ASN 172 CO -0.41 0.38 -0.04 0.59 -1.06 0.00 0.00 177.43 176.89 3mhs n ASN 173 N -4.05 1.23 -4.71 5.81 3.02 -0.83 -5.04 115.26 110.70 3mhs n ASN 173 Ca -0.02 -1.12 -0.42 0.00 -0.03 0.00 0.00 54.58 53.00 3mhs n ASN 173 Cb 0.42 0.17 -0.03 0.00 -0.61 0.00 0.00 39.78 39.72 3mhs n ASN 173 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mhs n LYS 175 N 4.39 0.15 -0.12 0.00 5.02 -1.26 -4.32 118.16 122.02 3mhs n LYS 175 Ca 0.13 0.05 -0.18 0.00 -2.02 0.00 0.00 58.31 56.29 3mhs n LYS 175 Cb 0.41 -1.60 -0.11 0.00 -0.02 0.00 0.00 35.03 33.71 3mhs n LYS 175 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3mhs n VAL 176 N -1.83 1.40 -3.91 -0.18 3.14 -1.26 -5.03 118.33 110.66 3mhs n VAL 176 Ca 0.05 -0.52 -0.28 0.00 -2.96 0.00 0.00 64.34 60.63 3mhs n VAL 176 Cb 0.39 -1.41 0.01 0.00 -1.06 0.00 0.00 33.84 31.78 3mhs n VAL 176 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3mhs n ARG 177 N -3.30 -4.65 -3.69 1.45 1.74 -1.26 -4.98 116.66 101.96 3mhs n ARG 177 Ca -0.44 0.54 -0.17 0.00 -0.77 0.00 0.00 57.85 57.01 3mhs n ARG 177 Cb 0.95 -5.18 -0.16 0.00 -1.02 0.00 0.00 32.46 27.04 3mhs n ARG 177 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3mhs s SER 178 N -3.77 0.72 0.20 0.55 0.15 -1.26 -5.02 113.70 105.26 3mhs s SER 178 Ca 0.38 0.19 0.22 0.00 0.70 0.00 0.00 55.95 57.45 3mhs s SER 178 Cb -0.20 0.06 0.90 0.00 -1.71 0.00 0.00 66.02 65.08 3mhs s SER 178 CO 0.85 -0.22 1.66 -0.81 1.20 0.00 0.00 173.24 175.92 3mhs n PRO 179 N 5.05 0.15 -0.01 5.44 -0.04 -1.26 -0.92 135.00 143.41 3mhs n PRO 179 Ca -0.09 0.39 0.14 0.00 -0.04 0.00 0.00 63.50 63.89 3mhs n PRO 179 Cb 0.50 -1.79 0.64 0.00 -0.04 0.00 0.00 33.50 32.81 3mhs n PRO 179 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3mhs n ASP 180 N -2.08 1.00 0.00 3.54 3.85 -1.26 -4.14 116.55 117.45 3mhs n ASP 180 Ca 0.02 -1.37 0.00 0.00 -0.71 0.00 0.00 54.79 52.74 3mhs n ASP 180 Cb 0.22 -0.01 0.00 0.00 -1.35 0.00 0.00 41.12 39.98 3mhs n ASP 180 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3mhs n LYS 181 N -0.21 0.00 -3.39 0.11 5.02 -0.90 -3.90 118.16 114.89 3mhs n LYS 181 Ca 0.20 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.10 3mhs n LYS 181 Cb 0.27 -0.73 -0.08 0.00 -0.02 0.00 0.00 35.03 34.46 3mhs n LYS 181 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mhs h PHE 183 N 7.85 1.07 -0.55 0.00 3.57 -1.87 -1.42 116.94 125.58 3mhs h PHE 183 Ca -0.33 -0.12 -0.11 0.00 3.53 0.00 0.00 57.97 60.94 3mhs h PHE 183 Cb 1.16 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 3mhs h PHE 183 CO 0.73 0.88 -0.10 0.77 -2.23 0.00 0.00 178.31 178.36 3mhs h SER 184 N 0.94 1.03 -0.86 0.41 0.02 -1.92 0.12 113.55 113.29 3mhs h SER 184 Ca 0.20 -0.34 0.04 0.00 -0.84 0.00 0.00 61.79 60.86 3mhs h SER 184 Cb 0.34 -0.28 -0.06 0.00 0.14 0.00 0.00 62.40 62.54 3mhs h SER 184 CO -0.00 1.13 0.55 0.00 -1.14 0.00 0.00 176.83 177.37 3mhs h ALA 186 N 1.38 0.59 -0.48 0.00 0.00 -0.74 -1.31 119.26 118.69 3mhs h ALA 186 Ca 0.36 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3mhs h ALA 186 Cb 0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3mhs h ALA 186 CO -0.14 0.27 0.30 -0.07 0.00 0.00 0.00 179.25 179.61 3mhs h LEU 187 N 0.59 0.50 -1.43 0.00 3.38 -0.82 -1.48 115.31 116.05 3mhs h LEU 187 Ca 0.14 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3mhs h LEU 187 Cb 0.32 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3mhs h LEU 187 CO 0.00 0.36 0.16 0.44 0.09 0.00 0.00 178.44 179.49 3mhs h ASP 188 N 0.60 0.49 -0.49 -0.43 3.32 -1.02 -1.64 116.42 117.26 3mhs h ASP 188 Ca 0.18 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 3mhs h ASP 188 Cb -0.02 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 3mhs h ASP 188 CO -0.06 0.45 -0.02 0.50 -1.72 0.00 0.00 179.24 178.38 3mhs h LYS 189 N 0.55 0.88 -0.38 3.56 1.63 -0.71 -0.51 116.57 121.59 3mhs h LYS 189 Ca 0.14 -0.29 0.03 0.00 -0.85 0.00 0.00 60.65 59.68 3mhs h LYS 189 Cb 0.10 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.62 3mhs h LYS 189 CO -0.02 0.93 0.17 0.82 -3.45 0.00 0.00 179.45 177.91 3mhs h ILE 190 N 0.74 0.95 -0.78 2.00 2.04 -0.72 -0.33 117.51 121.41 3mhs h ILE 190 Ca 0.14 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.88 3mhs h ILE 190 Cb 0.55 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 3mhs h ILE 190 CO 0.03 0.07 0.50 0.58 0.00 0.00 0.00 178.15 179.33 3mhs h VAL 191 N 0.36 1.21 -0.26 1.67 2.07 -1.13 -1.01 116.25 119.16 3mhs h VAL 191 Ca 0.17 -0.40 0.04 0.00 0.82 0.00 0.00 66.70 67.33 3mhs h VAL 191 Cb 0.10 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 29.91 3mhs h VAL 191 CO -0.13 0.20 0.02 -0.74 0.02 0.00 0.00 177.57 176.94 3mhs h HIS 192 N 1.06 0.03 -0.20 1.57 -0.00 -0.72 -1.67 115.15 115.22 3mhs h HIS 192 Ca 0.28 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.59 3mhs h HIS 192 Cb -0.10 0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.32 3mhs h HIS 192 CO -0.02 -0.02 -0.25 0.93 -0.00 0.00 0.00 177.93 178.58 3mhs h GLU 193 N 0.11 0.36 0.03 5.26 5.08 -0.60 0.11 114.58 124.93 3mhs h GLU 193 Ca 0.12 -0.13 -0.29 0.00 -1.00 0.00 0.00 59.36 58.06 3mhs h GLU 193 Cb 0.14 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 3mhs h GLU 193 CO -0.19 0.59 -1.65 -0.07 -1.00 0.00 0.00 179.01 176.70 3mhs h LEU 194 N 0.33 0.09 0.00 1.33 4.07 -1.00 -3.39 115.31 116.73 3mhs h LEU 194 Ca 0.05 -0.17 -0.03 0.00 0.08 0.00 0.00 57.88 57.81 3mhs h LEU 194 Cb 0.61 -0.03 -0.00 0.00 1.08 0.00 0.00 40.66 42.32 3mhs h LEU 194 CO 0.04 1.15 -1.68 -1.22 -1.08 0.00 0.00 178.44 175.66 3mhs n TYR 195 N -3.17 0.00 0.00 1.13 4.01 -0.65 -4.01 117.16 114.47 3mhs n TYR 195 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 3mhs n TYR 195 Cb 1.04 -0.36 0.00 0.00 -0.31 0.00 0.00 39.34 39.71 3mhs n TYR 195 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mhs n GLY 196 N 1.74 4.28 3.28 2.72 0.00 0.38 -4.70 105.19 112.90 3mhs n GLY 196 Ca -0.05 -0.91 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 3mhs n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mhs s ALA 197 N -2.00 -1.10 0.39 4.61 0.00 -1.16 -4.74 121.76 117.76 3mhs s ALA 197 Ca 0.00 1.55 -0.25 0.00 0.00 0.00 0.00 51.96 53.26 3mhs s ALA 197 Cb 0.00 -1.06 -0.09 0.00 0.00 0.00 0.00 23.12 21.97 3mhs s ALA 197 CO 0.00 -0.42 1.10 -0.51 0.00 0.00 0.00 175.76 175.94 3mhs s LEU 198 N 1.77 4.20 -0.01 0.00 1.43 -1.26 -4.94 118.68 119.87 3mhs s LEU 198 Ca -0.07 2.19 -0.30 0.00 -1.03 0.00 0.00 54.13 54.92 3mhs s LEU 198 Cb -0.09 -4.06 -0.07 0.00 0.03 0.00 0.00 46.19 42.00 3mhs s LEU 198 CO -0.13 -0.54 1.78 0.20 0.23 0.00 0.00 176.35 177.89 3mhs s ASN 199 N -1.31 6.58 0.00 2.29 0.02 -1.26 -5.12 114.94 116.13 3mhs s ASN 199 Ca 0.56 2.43 0.00 0.00 -1.02 0.00 0.00 52.86 54.83 3mhs s ASN 199 Cb -0.27 -2.53 0.00 0.00 0.02 0.00 0.00 41.25 38.47 3mhs s ASN 199 CO 0.34 -0.98 0.58 1.07 0.02 0.00 0.00 177.10 178.13 3mhs n THR 200 N 5.47 0.00 0.00 1.60 5.66 -1.26 -5.27 114.28 120.48 3mhs n THR 200 Ca 0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.18 3mhs n THR 200 Cb 0.42 0.52 0.00 0.00 -1.55 0.00 0.00 70.33 69.72 3mhs n THR 200 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3mhs n SER 209 N 0.00 0.00 -4.18 1.09 3.41 -1.26 -5.22 113.62 107.46 3mhs n SER 209 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 3mhs n SER 209 Cb 0.56 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.39 3mhs n SER 209 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3mhs s THR 210 N -1.01 3.37 0.09 6.66 2.01 -1.26 -5.09 115.64 120.41 3mhs s THR 210 Ca 0.00 -1.64 0.10 0.00 0.31 0.00 0.00 61.69 60.46 3mhs s THR 210 Cb 0.00 -3.11 -0.03 0.00 0.01 0.00 0.00 72.50 69.37 3mhs s THR 210 CO 0.00 -0.41 -0.26 0.20 -0.69 0.00 0.00 174.62 173.46 3mhs s ASN 211 N 1.62 3.29 -1.36 3.53 0.01 -1.26 -4.86 114.94 115.90 3mhs s ASN 211 Ca 0.02 -0.66 -0.08 0.00 -0.71 0.00 0.00 52.86 51.44 3mhs s ASN 211 Cb -0.21 -0.28 0.02 0.00 0.41 0.00 0.00 41.25 41.19 3mhs s ASN 211 CO -0.02 0.22 1.07 0.54 -1.51 0.00 0.00 177.10 177.41 3mhs n ARG 212 N 1.33 -6.98 0.00 -0.60 1.74 -1.26 -4.91 116.66 105.98 3mhs n ARG 212 Ca -0.17 0.77 0.04 0.00 -0.77 0.00 0.00 57.85 57.71 3mhs n ARG 212 Cb 0.52 -5.74 0.02 0.00 -1.02 0.00 0.00 32.46 26.24 3mhs n ARG 212 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3mhs n GLN 213 N -4.72 0.96 -0.06 5.56 1.13 -1.26 -4.78 117.38 114.21 3mhs n GLN 213 Ca -0.06 -0.77 -0.10 0.00 -1.94 0.00 0.00 57.00 54.13 3mhs n GLN 213 Cb 0.58 -1.08 -0.03 0.00 0.11 0.00 0.00 30.24 29.83 3mhs n GLN 213 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3mhs h THR 214 N 1.20 1.06 -0.70 5.09 2.02 -1.96 -0.60 112.91 119.02 3mhs h THR 214 Ca 0.00 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.02 3mhs h THR 214 Cb 0.29 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 3mhs h THR 214 CO 0.00 0.06 0.28 1.23 0.37 0.00 0.00 175.52 177.46 3mhs h GLY 215 N 0.34 1.13 1.00 2.16 0.00 -1.86 -1.18 103.07 104.65 3mhs h GLY 215 Ca 0.09 -0.62 -0.05 0.00 0.00 0.00 0.00 47.33 46.76 3mhs h GLY 215 CO -0.02 0.58 0.17 -2.75 0.00 0.00 0.00 176.54 174.52 3mhs h PHE 216 N 1.01 0.93 -0.77 5.60 3.57 -1.77 -0.22 116.94 125.29 3mhs h PHE 216 Ca 0.23 -0.10 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 3mhs h PHE 216 Cb 0.21 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 3mhs h PHE 216 CO 0.02 0.78 0.30 0.82 -2.23 0.00 0.00 178.31 178.00 3mhs h ILE 217 N 0.80 1.26 -0.41 1.41 2.04 -0.81 -0.13 117.51 121.67 3mhs h ILE 217 Ca 0.18 -0.81 0.02 0.00 1.00 0.00 0.00 64.86 65.25 3mhs h ILE 217 Cb 0.30 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 3mhs h ILE 217 CO -0.00 0.33 0.23 1.88 0.00 0.00 0.00 178.15 180.58 3mhs h TYR 218 N 1.11 0.42 -0.50 1.37 0.05 -0.99 0.08 116.97 118.50 3mhs h TYR 218 Ca 0.26 0.02 0.03 0.00 0.05 0.00 0.00 58.73 59.08 3mhs h TYR 218 Cb 0.22 -0.13 -0.04 0.00 1.01 0.00 0.00 36.73 37.79 3mhs h TYR 218 CO 0.02 0.23 0.29 1.25 -1.05 0.00 0.00 178.16 178.90 3mhs h LEU 219 N 0.46 0.46 -1.46 3.88 6.46 -0.30 0.30 115.31 125.10 3mhs h LEU 219 Ca 0.17 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.93 3mhs h LEU 219 Cb 0.04 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 39.86 3mhs h LEU 219 CO -0.10 0.32 0.27 -0.07 -0.62 0.00 0.00 178.44 178.24 3mhs h LEU 220 N 0.57 0.56 -0.13 2.25 4.07 -0.56 -0.43 115.31 121.64 3mhs h LEU 220 Ca 0.21 -0.03 -0.08 0.00 0.08 0.00 0.00 57.88 58.05 3mhs h LEU 220 Cb 0.05 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.65 3mhs h LEU 220 CO -0.11 0.44 -0.25 0.74 -1.08 0.00 0.00 178.44 178.18 3mhs h THR 221 N 0.64 1.37 -0.62 0.22 2.02 -0.13 -1.70 112.91 114.71 3mhs h THR 221 Ca 0.17 -1.52 0.08 0.00 0.77 0.00 0.00 66.41 65.91 3mhs h THR 221 Cb -0.00 2.04 -0.06 0.00 -1.74 0.00 0.00 68.15 68.38 3mhs h THR 221 CO -0.03 0.45 0.28 0.00 0.37 0.00 0.00 175.52 176.59 3mhs h ALA 223 N 1.39 0.53 -0.83 0.00 0.00 -1.02 -2.72 119.26 116.61 3mhs h ALA 223 Ca 0.30 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.13 3mhs h ALA 223 Cb 0.31 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 3mhs h ALA 223 CO -0.25 0.16 0.50 2.35 0.00 0.00 0.00 179.25 182.01 3mhs h TRP 224 N 0.51 0.92 -0.08 0.00 7.01 -1.21 0.22 115.95 123.32 3mhs h TRP 224 Ca 0.13 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 61.07 3mhs h TRP 224 Cb 0.23 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 26.99 3mhs h TRP 224 CO 0.01 0.44 -0.34 0.87 -2.79 0.00 0.00 178.44 176.62 3mhs h LYS 225 N 0.89 0.17 0.05 2.65 1.57 -1.30 -3.26 116.57 117.35 3mhs h LYS 225 Ca 0.38 -0.07 -0.36 0.00 -1.87 0.00 0.00 60.65 58.73 3mhs h LYS 225 Cb 0.24 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 3mhs h LYS 225 CO -0.20 0.49 -2.06 -0.89 -0.57 0.00 0.00 179.45 176.23 3mhs n ILE 226 N -4.09 1.63 -3.28 1.86 5.41 -0.92 -4.88 119.36 115.09 3mhs n ILE 226 Ca -0.01 -0.48 -0.07 0.00 1.00 0.00 0.00 62.75 63.18 3mhs n ILE 226 Cb 0.42 -1.73 -0.04 0.00 -0.71 0.00 0.00 39.64 37.57 3mhs n ILE 226 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 3mhs s ASN 227 N -6.93 -0.15 0.34 4.38 3.84 0.74 -5.02 114.94 112.14 3mhs s ASN 227 Ca -0.29 -0.76 0.06 0.00 0.21 0.00 0.00 52.86 52.08 3mhs s ASN 227 Cb 0.08 1.29 0.73 0.00 -0.55 0.00 0.00 41.25 42.81 3mhs s ASN 227 CO 0.66 -0.27 1.90 -0.61 -2.79 0.00 0.00 177.10 175.98 3mhs h GLN 228 N 7.52 0.76 0.00 0.43 4.15 -1.67 -1.32 115.11 124.97 3mhs h GLN 228 Ca -0.00 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.34 3mhs h GLN 228 Cb 1.13 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.64 3mhs h GLN 228 CO 0.19 0.50 -0.16 -0.91 -1.93 0.00 0.00 178.83 176.52 3mhs h ASN 229 N 0.78 0.00 -0.55 -0.69 -0.26 -1.92 -2.76 115.58 110.19 3mhs h ASN 229 Ca 0.41 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.15 3mhs h ASN 229 Cb 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.76 3mhs h ASN 229 CO -0.17 0.16 0.00 0.18 -1.06 0.00 0.00 177.43 176.54 3mhs n LEU 230 N -4.08 5.24 -0.31 1.61 4.77 -0.50 -4.57 117.00 119.16 3mhs n LEU 230 Ca -0.02 -2.82 0.10 0.00 -0.03 0.00 0.00 56.01 53.23 3mhs n LEU 230 Cb 0.24 -0.64 -0.04 0.00 -2.33 0.00 0.00 43.42 40.65 3mhs n LEU 230 CO 0.34 0.68 0.17 0.00 -1.33 0.00 0.00 177.39 177.25 3mhs n ALA 231 N 0.57 3.90 0.00 -1.18 0.00 -1.04 -4.95 120.51 117.81 3mhs n ALA 231 Ca 0.26 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3mhs n ALA 231 Cb 1.08 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.79 3mhs n ALA 231 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mhs n GLY 232 N 1.41 1.06 0.22 0.00 0.00 -1.26 -4.77 105.19 101.84 3mhs n GLY 232 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 3mhs n GLY 232 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3mhs h TYR 233 N 0.00 0.97 -2.32 1.61 3.20 -1.87 0.11 116.97 118.66 3mhs h TYR 233 Ca 0.00 -0.38 -0.56 0.00 3.14 0.00 0.00 58.73 60.93 3mhs h TYR 233 Cb 0.00 -0.17 -0.09 0.00 1.54 0.00 0.00 36.73 38.01 3mhs h TYR 233 CO 0.00 1.19 -0.63 -1.54 -1.64 0.00 0.00 178.16 175.55 3mhs s SER 234 N -6.88 4.75 0.19 -2.11 1.04 -1.26 -4.01 113.70 105.42 3mhs s SER 234 Ca -0.11 -0.53 -0.30 0.00 0.48 0.00 0.00 55.95 55.48 3mhs s SER 234 Cb 0.08 -0.97 -0.08 0.00 0.10 0.00 0.00 66.02 65.15 3mhs s SER 234 CO 0.87 0.01 1.18 -1.10 0.98 0.00 0.00 173.24 175.18 3mhs s GLN 235 N -3.57 4.51 0.32 4.02 -0.21 -1.26 -4.79 119.66 118.68 3mhs s GLN 235 Ca 0.31 1.86 -0.00 0.00 0.02 0.00 0.00 55.36 57.54 3mhs s GLN 235 Cb -0.07 -3.24 -0.01 0.00 1.00 0.00 0.00 33.01 30.69 3mhs s GLN 235 CO 0.20 -0.05 0.39 -0.65 -2.12 0.00 0.00 175.29 173.06 3mhs s GLN 236 N -0.36 1.77 -0.18 2.91 -1.52 -1.26 -5.09 119.66 115.93 3mhs s GLN 236 Ca 0.52 -1.78 -0.18 0.00 -1.95 0.00 0.00 55.36 51.96 3mhs s GLN 236 Cb -0.32 0.39 -0.03 0.00 -0.22 0.00 0.00 33.01 32.83 3mhs s GLN 236 CO 0.37 -0.70 0.51 0.34 -0.25 0.00 0.00 175.29 175.56 3mhs s ASP 237 N -3.25 6.60 0.37 5.90 3.68 -1.26 -4.79 116.67 123.92 3mhs s ASP 237 Ca 0.34 0.72 0.06 0.00 2.13 0.00 0.00 52.55 55.80 3mhs s ASP 237 Cb 0.01 -2.29 0.73 0.00 -1.45 0.00 0.00 42.92 39.92 3mhs s ASP 237 CO 0.21 -0.14 1.95 0.00 0.13 0.00 0.00 175.17 177.32 3mhs h ALA 238 N 7.27 1.52 -0.57 3.66 0.00 -1.97 -1.47 119.26 127.70 3mhs h ALA 238 Ca -0.36 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.31 3mhs h ALA 238 Cb 1.16 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3mhs h ALA 238 CO 0.74 0.36 -0.08 1.25 0.00 0.00 0.00 179.25 181.52 3mhs h HIS 239 N 0.48 1.17 -0.58 0.00 6.17 -1.93 0.14 115.15 120.60 3mhs h HIS 239 Ca 0.11 -0.23 -0.07 0.00 0.71 0.00 0.00 60.37 60.89 3mhs h HIS 239 Cb 0.19 -0.29 -0.02 0.00 2.52 0.00 0.00 27.41 29.80 3mhs h HIS 239 CO 0.01 1.07 0.07 1.49 0.71 0.00 0.00 177.93 181.28 3mhs h GLU 240 N 0.94 0.98 -0.62 5.26 4.81 -1.83 -1.46 114.58 122.66 3mhs h GLU 240 Ca 0.15 -0.27 -0.08 0.00 -0.13 0.00 0.00 59.36 59.03 3mhs h GLU 240 Cb 0.66 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 3mhs h GLU 240 CO 0.05 0.94 0.07 0.35 -0.73 0.00 0.00 179.01 179.69 3mhs h PHE 241 N 0.87 1.09 -0.21 0.92 3.57 -1.07 0.20 116.94 122.31 3mhs h PHE 241 Ca 0.17 -0.15 0.02 0.00 3.53 0.00 0.00 57.97 61.54 3mhs h PHE 241 Cb 0.45 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 3mhs h PHE 241 CO 0.03 0.94 0.06 2.35 -2.23 0.00 0.00 178.31 179.46 3mhs h TRP 242 N 0.96 0.10 -0.58 0.41 2.91 -0.39 -0.98 115.95 118.38 3mhs h TRP 242 Ca 0.19 0.01 -0.10 0.00 1.13 0.00 0.00 58.89 60.12 3mhs h TRP 242 Cb 0.45 -0.01 -0.02 0.00 -0.51 0.00 0.00 29.16 29.06 3mhs h TRP 242 CO 0.03 0.04 -0.02 1.96 -1.03 0.00 0.00 178.44 179.43 3mhs h GLN 243 N 0.15 1.02 -0.21 2.65 4.20 -1.09 -1.97 115.11 119.85 3mhs h GLN 243 Ca 0.09 -0.32 0.04 0.00 0.06 0.00 0.00 58.65 58.52 3mhs h GLN 243 Cb 0.08 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 3mhs h GLN 243 CO -0.11 1.01 -0.01 0.35 -0.67 0.00 0.00 178.83 179.39 3mhs h PHE 244 N 0.93 -0.04 -0.26 2.96 3.57 -0.72 -1.20 116.94 122.19 3mhs h PHE 244 Ca 0.16 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.52 3mhs h PHE 244 Cb 0.56 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 3mhs h PHE 244 CO 0.04 -0.05 -0.48 -0.84 -2.23 0.00 0.00 178.31 174.76 3mhs h ILE 245 N 0.05 1.30 -0.21 1.41 -0.00 -0.99 -1.73 117.51 117.33 3mhs h ILE 245 Ca 0.10 -1.68 -0.11 0.00 -0.00 0.00 0.00 64.86 63.17 3mhs h ILE 245 Cb 0.13 1.61 -0.01 0.00 -0.00 0.00 0.00 36.82 38.55 3mhs h ILE 245 CO -0.18 0.54 -0.36 0.16 -0.00 0.00 0.00 178.15 178.31 3mhs h ILE 246 N 0.55 1.29 -0.80 0.16 3.07 -1.35 -0.85 117.51 119.59 3mhs h ILE 246 Ca 0.03 -1.46 -0.05 0.00 1.55 0.00 0.00 64.86 64.93 3mhs h ILE 246 Cb 1.03 1.53 -0.04 0.00 -0.27 0.00 0.00 36.82 39.07 3mhs h ILE 246 CO 0.10 0.46 0.32 -1.13 -1.05 0.00 0.00 178.15 176.84 3mhs h ASN 247 N 0.38 1.10 -0.40 2.16 -1.24 -0.97 -1.27 115.58 115.34 3mhs h ASN 247 Ca 0.04 -0.17 -0.04 0.00 0.71 0.00 0.00 56.30 56.84 3mhs h ASN 247 Cb 0.81 -0.29 -0.02 0.00 0.73 0.00 0.00 38.32 39.55 3mhs h ASN 247 CO 0.07 0.97 0.13 1.56 -1.29 0.00 0.00 177.43 178.86 3mhs h GLN 248 N 1.16 0.69 -0.45 6.67 1.08 -0.71 0.19 115.11 123.74 3mhs h GLN 248 Ca 0.27 -0.12 -0.07 0.00 -1.45 0.00 0.00 58.65 57.28 3mhs h GLN 248 Cb 0.22 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.52 3mhs h GLN 248 CO -0.02 0.62 0.01 0.82 -0.95 0.00 0.00 178.83 179.31 3mhs h ILE 249 N 0.67 1.26 -0.37 2.54 2.04 -0.84 -0.44 117.51 122.37 3mhs h ILE 249 Ca 0.15 -1.02 -0.02 0.00 1.00 0.00 0.00 64.86 64.97 3mhs h ILE 249 Cb 0.23 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 3mhs h ILE 249 CO -0.01 0.35 0.14 -0.74 0.00 0.00 0.00 178.15 177.89 3mhs h HIS 250 N 0.63 0.57 -0.57 1.37 2.76 -0.91 -1.81 115.15 117.17 3mhs h HIS 250 Ca 0.13 -0.05 -0.02 0.00 -2.20 0.00 0.00 60.37 58.23 3mhs h HIS 250 Cb 0.47 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.24 3mhs h HIS 250 CO 0.04 0.52 0.28 1.96 -1.30 0.00 0.00 177.93 179.42 3mhs h GLN 251 N 0.44 0.81 -0.17 5.26 1.08 -0.33 -1.47 115.11 120.72 3mhs h GLN 251 Ca 0.12 -0.10 -0.13 0.00 -1.45 0.00 0.00 58.65 57.10 3mhs h GLN 251 Cb 0.20 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 3mhs h GLN 251 CO -0.01 0.62 -0.43 1.03 -0.95 0.00 0.00 178.83 179.09 3mhs h SER 252 N 0.81 0.44 -0.35 1.46 0.87 -0.83 -1.26 113.55 114.70 3mhs h SER 252 Ca 0.20 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 3mhs h SER 252 Cb 0.08 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 3mhs h SER 252 CO -0.03 0.82 0.17 0.22 -0.53 0.00 0.00 176.83 177.49 3mhs h TYR 253 N 0.34 0.50 -0.37 2.24 3.20 -0.69 -1.29 116.97 120.89 3mhs h TYR 253 Ca 0.03 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 3mhs h TYR 253 Cb 0.90 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.00 3mhs h TYR 253 CO 0.03 0.42 -0.10 0.28 -1.64 0.00 0.00 178.16 177.15 3mhs h VAL 254 N 0.43 1.24 -0.78 1.81 2.07 -1.03 -2.14 116.25 117.85 3mhs h VAL 254 Ca 0.12 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.54 3mhs h VAL 254 Cb 0.11 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 3mhs h VAL 254 CO -0.02 0.36 0.40 0.25 0.02 0.00 0.00 177.57 178.59 3mhs h LEU 255 N 0.59 1.00 -0.02 2.57 5.85 -0.78 -2.84 115.31 121.68 3mhs h LEU 255 Ca 0.11 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3mhs h LEU 255 Cb 0.52 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.30 3mhs h LEU 255 CO 0.03 0.83 -0.03 0.47 -0.34 0.00 0.00 178.44 179.40 3mhs n ASP 256 N -4.40 0.07 -4.76 1.25 8.00 -0.53 -4.82 116.55 111.36 3mhs n ASP 256 Ca 0.07 0.04 -0.39 0.00 0.71 0.00 0.00 54.79 55.23 3mhs n ASP 256 Cb 0.11 -0.32 0.02 0.00 -0.02 0.00 0.00 41.12 40.91 3mhs n ASP 256 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3mhs s LEU 257 N -2.74 4.02 0.00 0.64 1.43 -0.91 -4.88 118.68 116.25 3mhs s LEU 257 Ca 0.22 2.68 0.27 0.00 -1.03 0.00 0.00 54.13 56.27 3mhs s LEU 257 Cb 0.20 -4.11 1.36 0.00 0.03 0.00 0.00 46.19 43.66 3mhs s LEU 257 CO 0.50 -1.19 1.91 -0.81 0.23 0.00 0.00 176.35 176.99 3mhs n PRO 258 N -0.48 0.39 0.00 1.29 -0.04 -1.26 -5.05 135.00 129.85 3mhs n PRO 258 Ca 0.07 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 3mhs n PRO 258 Cb 0.45 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 3mhs n PRO 258 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3mhs n ASN 259 N -1.28 0.49 0.00 3.54 6.94 -1.26 -5.25 115.26 118.44 3mhs n ASN 259 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.69 3mhs n ASN 259 Cb 0.21 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.63 3mhs n ASN 259 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 3mhs n ASN 267 N 0.00 -0.25 -3.83 0.53 6.94 -1.26 -5.19 115.26 112.20 3mhs n ASN 267 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 54.58 54.24 3mhs n ASN 267 Cb 0.00 -0.54 -0.08 0.00 -2.36 0.00 0.00 39.78 36.80 3mhs n ASN 267 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 3mhs n ASN 268 N 2.17 3.93 -0.04 0.53 5.15 -1.26 -5.01 115.26 120.73 3mhs n ASN 268 Ca 0.00 -3.28 -0.12 0.00 -0.60 0.00 0.00 54.58 50.59 3mhs n ASN 268 Cb 0.02 -0.87 -0.06 0.00 -0.53 0.00 0.00 39.78 38.34 3mhs n ASN 268 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 3mhs h LYS 269 N 5.21 0.21 -6.40 1.20 1.57 -2.09 -3.42 116.57 112.85 3mhs h LYS 269 Ca 0.17 -0.06 -0.54 0.00 -1.87 0.00 0.00 60.65 58.36 3mhs h LYS 269 Cb 0.73 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.03 3mhs h LYS 269 CO 0.85 0.40 1.02 1.14 -0.57 0.00 0.00 179.45 182.29 3mhs s GLN 270 N -5.19 4.20 0.33 3.15 -2.07 -1.26 -4.99 119.66 113.83 3mhs s GLN 270 Ca -0.14 2.30 -0.28 0.00 -1.82 0.00 0.00 55.36 55.42 3mhs s GLN 270 Cb 0.06 -3.70 -0.09 0.00 -1.09 0.00 0.00 33.01 28.18 3mhs s GLN 270 CO 0.70 -0.76 1.11 0.00 -1.32 0.00 0.00 175.29 175.03 3mhs n GLU 272 N 0.73 2.62 -1.40 0.00 -0.58 -1.26 -4.39 120.64 116.36 3mhs n GLU 272 Ca 0.01 -2.43 -0.29 0.00 -0.42 0.00 0.00 57.16 54.03 3mhs n GLU 272 Cb 0.46 -1.55 0.17 0.00 -0.57 0.00 0.00 31.44 29.95 3mhs n GLU 272 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3mhs h ILE 274 N -1.77 1.20 -0.25 0.00 6.09 -1.94 -0.20 117.51 120.65 3mhs h ILE 274 Ca -0.51 -0.48 -0.02 0.00 -1.37 0.00 0.00 64.86 62.48 3mhs h ILE 274 Cb 1.32 0.24 -0.01 0.00 0.47 0.00 0.00 36.82 38.84 3mhs h ILE 274 CO 0.55 0.22 0.07 0.58 -3.07 0.00 0.00 178.15 176.50 3mhs h VAL 275 N 0.97 1.21 0.00 2.19 2.07 -1.91 -2.74 116.25 118.03 3mhs h VAL 275 Ca 0.25 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3mhs h VAL 275 Cb -0.00 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3mhs h VAL 275 CO -0.04 0.21 -0.17 1.41 0.02 0.00 0.00 177.57 179.00 3mhs n HIS 276 N -4.73 0.10 0.97 1.57 8.25 -0.99 -1.11 115.22 119.27 3mhs n HIS 276 Ca -0.03 0.03 0.12 0.00 -0.26 0.00 0.00 57.72 57.57 3mhs n HIS 276 Cb 0.17 -0.47 0.09 0.00 1.12 0.00 0.00 29.99 30.90 3mhs n HIS 276 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3mhs n THR 277 N -1.59 0.00 -0.03 1.59 -2.24 -0.12 -4.24 114.28 107.66 3mhs n THR 277 Ca 0.06 -0.48 -0.05 0.00 -2.27 0.00 0.00 64.05 61.31 3mhs n THR 277 Cb 0.35 1.46 -0.02 0.00 -2.10 0.00 0.00 70.33 70.02 3mhs n THR 277 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3mhs n VAL 278 N 1.17 0.29 0.87 2.28 0.31 -1.04 -4.74 118.33 117.47 3mhs n VAL 278 Ca 0.13 -0.08 0.09 0.00 -0.01 0.00 0.00 64.34 64.47 3mhs n VAL 278 Cb 0.57 -1.45 -0.11 0.00 -0.91 0.00 0.00 33.84 31.93 3mhs n VAL 278 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3mhs n PHE 279 N -3.16 0.00 -3.19 3.52 3.72 -0.27 -1.17 117.46 116.91 3mhs n PHE 279 Ca -0.10 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.90 3mhs n PHE 279 Cb 0.58 -0.02 -0.06 0.00 -0.94 0.00 0.00 39.48 39.04 3mhs n PHE 279 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3mhs s GLU 280 N -2.83 4.25 0.00 -1.08 2.12 -1.24 -4.24 118.70 115.67 3mhs s GLU 280 Ca 0.07 0.54 0.00 0.00 0.36 0.00 0.00 54.97 55.93 3mhs s GLU 280 Cb 0.14 -3.54 0.00 0.00 0.26 0.00 0.00 34.13 31.00 3mhs s GLU 280 CO 0.79 -0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.81 3mhs n GLY 281 N 3.68 5.23 3.08 -1.50 0.00 -0.24 -4.10 105.19 111.34 3mhs n GLY 281 Ca -0.04 -2.13 -0.12 0.00 0.00 0.00 0.00 46.02 43.74 3mhs n GLY 281 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mhs s SER 282 N -0.41 -0.07 0.11 1.61 1.04 0.44 -0.93 113.70 115.50 3mhs s SER 282 Ca 0.00 0.05 -0.11 0.00 0.48 0.00 0.00 55.95 56.37 3mhs s SER 282 Cb 0.00 0.27 -0.06 0.00 0.10 0.00 0.00 66.02 66.33 3mhs s SER 282 CO 0.00 -0.22 0.46 -0.76 0.98 0.00 0.00 173.24 173.70 3mhs s LEU 283 N -0.68 4.33 -0.24 2.42 1.43 0.41 -0.01 118.68 126.34 3mhs s LEU 283 Ca -0.08 0.89 -0.07 0.00 -1.03 0.00 0.00 54.13 53.84 3mhs s LEU 283 Cb -0.05 -3.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.02 3mhs s LEU 283 CO 0.01 0.13 0.06 -0.70 0.23 0.00 0.00 176.35 176.08 3mhs s GLU 284 N -2.00 3.67 -0.27 1.70 2.12 0.12 -1.73 118.70 122.32 3mhs s GLU 284 Ca 0.36 -0.47 -0.06 0.00 0.36 0.00 0.00 54.97 55.16 3mhs s GLU 284 Cb -0.14 -3.29 0.00 0.00 0.26 0.00 0.00 34.13 30.96 3mhs s GLU 284 CO 0.19 -0.14 0.04 0.45 -0.54 0.00 0.00 175.26 175.26 3mhs s SER 285 N 1.47 4.88 -0.07 -1.70 0.15 0.00 -1.12 113.70 117.31 3mhs s SER 285 Ca 0.06 -0.59 -0.03 0.00 0.70 0.00 0.00 55.95 56.09 3mhs s SER 285 Cb -0.15 -1.84 -0.04 0.00 -1.71 0.00 0.00 66.02 62.29 3mhs s SER 285 CO 0.03 -0.13 0.07 -0.94 1.20 0.00 0.00 173.24 173.48 3mhs s SER 286 N 1.49 5.75 -0.19 5.45 1.04 -0.42 -0.76 113.70 126.06 3mhs s SER 286 Ca 0.04 0.25 0.01 0.00 0.48 0.00 0.00 55.95 56.73 3mhs s SER 286 Cb -0.16 -1.72 0.03 0.00 0.10 0.00 0.00 66.02 64.27 3mhs s SER 286 CO 0.01 0.36 -0.14 -0.63 0.98 0.00 0.00 173.24 173.81 3mhs s ILE 287 N -1.02 1.79 0.02 -1.02 -1.09 -0.86 -1.67 121.20 117.36 3mhs s ILE 287 Ca 0.17 -0.95 0.03 0.00 -2.23 0.00 0.00 60.65 57.67 3mhs s ILE 287 Cb -0.12 -1.75 -0.02 0.00 -1.58 0.00 0.00 42.46 39.00 3mhs s ILE 287 CO 0.06 0.33 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.31 3mhs s VAL 288 N 1.36 0.82 0.06 2.92 1.01 -0.23 -1.74 120.40 124.61 3mhs s VAL 288 Ca 0.01 -0.78 -0.31 0.00 0.00 0.00 0.00 61.98 60.90 3mhs s VAL 288 Cb -0.15 -0.76 -0.06 0.00 0.00 0.00 0.00 36.38 35.42 3mhs s VAL 288 CO -0.10 -0.01 1.22 0.00 0.00 0.00 0.00 175.10 176.21 3mhs h PRO 290 N 6.84 0.00 0.11 0.00 0.13 -1.94 0.23 132.00 137.37 3mhs h PRO 290 Ca -0.41 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.71 3mhs h PRO 290 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3mhs h PRO 290 CO 0.82 0.17 -0.05 0.78 -0.23 0.00 0.00 178.00 179.48 3mhs h GLY 291 N 1.54 -0.15 1.54 1.56 0.00 -1.94 -3.39 103.07 102.23 3mhs h GLY 291 Ca -0.00 0.06 -0.14 0.00 0.00 0.00 0.00 47.33 47.24 3mhs h GLY 291 CO 0.02 -0.06 -0.49 0.00 0.00 0.00 0.00 176.54 176.01 3mhs n GLN 293 N -3.98 -4.45 0.00 0.00 6.02 0.80 -4.83 117.38 110.94 3mhs n GLN 293 Ca -0.02 0.50 0.00 0.00 -0.01 0.00 0.00 57.00 57.47 3mhs n GLN 293 Cb 0.56 -5.26 0.00 0.00 1.02 0.00 0.00 30.24 26.56 3mhs n GLN 293 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3mhs n ASN 294 N -2.79 0.00 0.00 1.08 5.15 -1.26 -4.99 115.26 112.45 3mhs n ASN 294 Ca 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.99 3mhs n ASN 294 Cb 0.53 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.78 3mhs n ASN 294 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3mhs n ASN 295 N 0.00 0.00 -4.32 1.20 5.03 -1.26 -4.93 115.26 110.98 3mhs n ASN 295 Ca 0.00 0.00 -0.17 0.00 0.87 0.00 0.00 54.58 55.28 3mhs n ASN 295 Cb 0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 39.78 38.66 3mhs n ASN 295 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 3mhs s SER 296 N -4.00 1.61 -0.49 6.41 1.04 -1.26 -5.12 113.70 111.89 3mhs s SER 296 Ca 0.00 -1.25 -0.22 0.00 0.48 0.00 0.00 55.95 54.95 3mhs s SER 296 Cb 0.00 0.06 0.04 0.00 0.10 0.00 0.00 66.02 66.21 3mhs s SER 296 CO 0.00 -0.57 0.78 -0.54 0.98 0.00 0.00 173.24 173.89 3mhs s LYS 297 N -3.91 3.31 -0.14 4.02 1.02 -0.71 -4.89 119.74 118.44 3mhs s LYS 297 Ca 0.30 -0.34 -0.04 0.00 0.02 0.00 0.00 55.97 55.91 3mhs s LYS 297 Cb 0.06 -4.00 -0.03 0.00 -0.52 0.00 0.00 37.83 33.34 3mhs s LYS 297 CO 0.09 -1.23 -0.00 -0.08 -0.92 0.00 0.00 175.35 173.21 3mhs s THR 298 N 3.29 4.24 -0.07 2.17 -1.32 -1.26 -2.02 115.64 120.67 3mhs s THR 298 Ca 0.26 -0.24 0.05 0.00 -1.21 0.00 0.00 61.69 60.55 3mhs s THR 298 Cb -0.14 -2.85 -0.01 0.00 -1.51 0.00 0.00 72.50 68.00 3mhs s THR 298 CO 0.19 0.52 -0.25 -0.89 -2.21 0.00 0.00 174.62 171.99 3mhs s THR 299 N -0.04 2.07 -0.23 5.08 2.01 0.06 -4.96 115.64 119.63 3mhs s THR 299 Ca 0.03 -1.05 -0.06 0.00 0.31 0.00 0.00 61.69 60.92 3mhs s THR 299 Cb -0.13 -1.76 -0.03 0.00 0.01 0.00 0.00 72.50 70.60 3mhs s THR 299 CO 0.02 0.57 0.04 -0.63 -0.69 0.00 0.00 174.62 173.93 3mhs s ILE 300 N 0.02 4.13 -0.13 1.82 -1.09 -1.26 -0.82 121.20 123.87 3mhs s ILE 300 Ca -0.09 -0.24 0.03 0.00 -2.23 0.00 0.00 60.65 58.12 3mhs s ILE 300 Cb -0.15 -2.91 0.01 0.00 -1.58 0.00 0.00 42.46 37.82 3mhs s ILE 300 CO 0.06 0.37 -0.22 -1.81 -1.23 0.00 0.00 174.94 172.11 3mhs s ASP 301 N 1.43 3.15 0.68 3.58 -0.00 -0.70 -4.95 116.67 119.86 3mhs s ASP 301 Ca 0.05 -0.58 -0.16 0.00 -0.00 0.00 0.00 52.55 51.86 3mhs s ASP 301 Cb -0.15 -1.44 0.01 0.00 -0.00 0.00 0.00 42.92 41.34 3mhs s ASP 301 CO 0.02 0.10 1.17 -2.84 -0.00 0.00 0.00 175.17 173.62 3mhs s PRO 302 N 0.69 2.50 0.02 8.23 0.02 -1.26 -0.44 135.00 144.75 3mhs s PRO 302 Ca -0.10 1.63 -0.02 0.00 0.02 0.00 0.00 61.00 62.54 3mhs s PRO 302 Cb -0.16 -1.89 -0.02 0.00 0.02 0.00 0.00 34.50 32.45 3mhs s PRO 302 CO 0.01 -1.53 0.01 -0.59 -0.33 0.00 0.00 177.00 174.57 3mhs s PHE 303 N -2.06 0.21 -0.38 6.54 -0.12 -0.10 -4.81 117.98 117.26 3mhs s PHE 303 Ca 0.72 -0.44 0.13 0.00 -0.05 0.00 0.00 56.93 57.29 3mhs s PHE 303 Cb -0.26 -0.16 -0.16 0.00 -0.63 0.00 0.00 43.02 41.81 3mhs s PHE 303 CO 0.42 -0.21 0.45 1.28 -0.05 0.00 0.00 175.22 177.10 3mhs n LEU 304 N 1.56 0.38 -3.85 -1.99 4.77 -1.26 -1.07 117.00 115.53 3mhs n LEU 304 Ca -0.24 -0.31 -0.07 0.00 -0.03 0.00 0.00 56.01 55.36 3mhs n LEU 304 Cb 0.55 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.62 3mhs n LEU 304 CO 0.20 0.09 0.49 1.51 -1.33 0.00 0.00 177.39 178.35 3mhs s ASP 305 N -2.71 -0.25 -0.06 -1.43 1.47 -1.26 -4.48 116.67 107.95 3mhs s ASP 305 Ca 0.01 -0.61 0.05 0.00 1.18 0.00 0.00 52.55 53.18 3mhs s ASP 305 Cb 0.09 0.72 -0.01 0.00 -0.34 0.00 0.00 42.92 43.38 3mhs s ASP 305 CO 0.54 -1.33 -0.22 -0.76 0.68 0.00 0.00 175.17 174.08 3mhs s LEU 306 N -2.92 2.00 -0.22 2.11 1.43 -0.44 -5.02 118.68 115.62 3mhs s LEU 306 Ca 0.11 -0.45 -0.07 0.00 -1.03 0.00 0.00 54.13 52.69 3mhs s LEU 306 Cb -0.06 -1.21 -0.03 0.00 0.03 0.00 0.00 46.19 44.92 3mhs s LEU 306 CO 0.07 0.19 0.06 -0.44 0.23 0.00 0.00 176.35 176.47 3mhs s SER 307 N -0.01 5.26 -0.07 2.29 0.01 -1.26 -0.16 113.70 119.76 3mhs s SER 307 Ca -0.06 -0.12 0.03 0.00 1.31 0.00 0.00 55.95 57.11 3mhs s SER 307 Cb -0.13 -1.93 -0.02 0.00 0.21 0.00 0.00 66.02 64.15 3mhs s SER 307 CO 0.04 0.04 -0.15 -0.76 0.41 0.00 0.00 173.24 172.82 3mhs s LEU 308 N 1.18 2.67 0.39 2.44 1.43 0.69 -4.96 118.68 122.52 3mhs s LEU 308 Ca 0.04 -0.26 -0.25 0.00 -1.03 0.00 0.00 54.13 52.64 3mhs s LEU 308 Cb -0.14 -1.55 -0.09 0.00 0.03 0.00 0.00 46.19 44.44 3mhs s LEU 308 CO 0.03 0.29 1.10 1.51 0.23 0.00 0.00 176.35 179.51 3mhs s ASP 309 N -0.40 6.69 0.00 2.29 1.47 -1.26 -0.30 116.67 125.15 3mhs s ASP 309 Ca 0.04 2.16 0.00 0.00 1.18 0.00 0.00 52.55 55.94 3mhs s ASP 309 Cb -0.12 -2.60 0.00 0.00 -0.34 0.00 0.00 42.92 39.86 3mhs s ASP 309 CO 0.02 -0.55 0.04 2.30 0.68 0.00 0.00 175.17 177.66 3mhs n ILE 310 N 0.04 0.00 -1.84 2.11 -5.35 -1.26 -4.64 119.36 108.42 3mhs n ILE 310 Ca 0.04 -0.35 -0.41 0.00 -0.27 0.00 0.00 62.75 61.76 3mhs n ILE 310 Cb 0.48 1.04 -0.01 0.00 -1.74 0.00 0.00 39.64 39.41 3mhs n ILE 310 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3mhs s LYS 311 N -0.62 4.14 -1.68 6.28 1.02 -1.26 -2.17 119.74 125.46 3mhs s LYS 311 Ca 0.00 2.53 0.00 0.00 0.02 0.00 0.00 55.97 58.52 3mhs s LYS 311 Cb 0.00 -3.00 0.00 0.00 -0.52 0.00 0.00 37.83 34.31 3mhs s LYS 311 CO 0.00 -0.51 0.00 -0.25 -0.92 0.00 0.00 175.35 173.67 3mhs n ASP 312 N 0.93 -4.91 -4.34 2.83 8.00 -1.26 -4.99 116.55 112.81 3mhs n ASP 312 Ca 0.03 0.39 -0.18 0.00 0.71 0.00 0.00 54.79 55.73 3mhs n ASP 312 Cb 0.39 -3.81 -0.10 0.00 -0.02 0.00 0.00 41.12 37.58 3mhs n ASP 312 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3mhs s LYS 313 N -3.37 1.31 0.00 -1.24 1.02 -0.92 -5.06 119.74 111.48 3mhs s LYS 313 Ca 0.00 -1.59 0.00 0.00 0.02 0.00 0.00 55.97 54.40 3mhs s LYS 313 Cb 0.00 -1.03 0.00 0.00 -0.52 0.00 0.00 37.83 36.28 3mhs s LYS 313 CO 0.00 0.14 0.00 1.63 -0.92 0.00 0.00 175.35 176.20 3mhs n LYS 314 N -0.37 3.84 -4.15 1.68 5.02 -1.26 -4.89 118.16 118.02 3mhs n LYS 314 Ca -0.08 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.06 3mhs n LYS 314 Cb 0.61 -0.33 -0.13 0.00 -0.02 0.00 0.00 35.03 35.16 3mhs n LYS 314 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3mhs s LYS 315 N -0.62 0.57 0.24 1.97 1.02 -1.26 -0.82 119.74 120.83 3mhs s LYS 315 Ca 0.00 -0.57 -0.05 0.00 0.02 0.00 0.00 55.97 55.37 3mhs s LYS 315 Cb 0.00 -0.45 0.33 0.00 -0.52 0.00 0.00 37.83 37.19 3mhs s LYS 315 CO 0.00 0.10 1.86 1.25 -0.92 0.00 0.00 175.35 177.64 3mhs h LEU 316 N 5.08 0.87 -1.47 3.17 5.85 -0.41 -1.40 115.31 127.00 3mhs h LEU 316 Ca -0.34 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 3mhs h LEU 316 Cb 1.19 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 3mhs h LEU 316 CO 0.44 0.57 0.26 1.88 -0.34 0.00 0.00 178.44 181.25 3mhs h TYR 317 N 1.01 0.60 -0.72 1.25 0.05 -1.97 -0.28 116.97 116.91 3mhs h TYR 317 Ca 0.38 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 59.12 3mhs h TYR 317 Cb 0.14 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 37.65 3mhs h TYR 317 CO -0.03 0.41 0.32 0.93 -1.05 0.00 0.00 178.16 178.75 3mhs h GLU 318 N 0.63 1.04 -0.26 4.88 5.08 -1.67 0.14 114.58 124.42 3mhs h GLU 318 Ca 0.16 -0.16 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 3mhs h GLU 318 Cb -0.00 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 3mhs h GLU 318 CO -0.03 0.82 -0.46 0.00 -1.00 0.00 0.00 179.01 178.34 3mhs h LEU 320 N 0.53 0.70 -0.60 0.00 3.38 -0.88 -1.26 115.31 117.19 3mhs h LEU 320 Ca 0.03 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.66 3mhs h LEU 320 Cb 1.01 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 3mhs h LEU 320 CO 0.09 1.09 0.38 0.44 0.09 0.00 0.00 178.44 180.53 3mhs h ASP 321 N 0.50 0.64 -0.56 -0.43 3.45 -0.56 -1.43 116.42 118.03 3mhs h ASP 321 Ca 0.02 -0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.46 3mhs h ASP 321 Cb 1.06 -0.15 -0.03 0.00 -0.56 0.00 0.00 39.33 39.66 3mhs h ASP 321 CO 0.10 0.46 0.29 -1.28 -1.57 0.00 0.00 179.24 177.24 3mhs h SER 322 N 0.77 0.72 -0.88 6.45 0.87 -0.78 -1.43 113.55 119.26 3mhs h SER 322 Ca 0.23 -0.11 0.10 0.00 -1.23 0.00 0.00 61.79 60.78 3mhs h SER 322 Cb -0.04 -0.18 -0.07 0.00 -0.44 0.00 0.00 62.40 61.66 3mhs h SER 322 CO -0.07 0.63 0.53 0.15 -0.53 0.00 0.00 176.83 177.53 3mhs h PHE 323 N 0.76 0.96 -0.01 2.24 3.57 -0.83 -2.63 116.94 121.00 3mhs h PHE 323 Ca 0.20 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.73 3mhs h PHE 323 Cb 0.08 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.52 3mhs h PHE 323 CO -0.01 0.40 -0.18 1.58 -2.23 0.00 0.00 178.31 177.87 3mhs n HIS 324 N -4.69 0.00 -2.33 0.41 -0.00 -0.57 -4.49 115.22 103.55 3mhs n HIS 324 Ca 0.15 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.93 3mhs n HIS 324 Cb 0.28 -0.13 -0.03 0.00 -0.12 0.00 0.00 29.99 30.00 3mhs n HIS 324 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 3mhs s LYS 325 N -2.44 4.38 0.47 1.57 2.20 -0.58 -4.51 119.74 120.84 3mhs s LYS 325 Ca 0.27 1.91 -0.23 0.00 -0.36 0.00 0.00 55.97 57.56 3mhs s LYS 325 Cb 0.20 -2.99 -0.07 0.00 -1.51 0.00 0.00 37.83 33.46 3mhs s LYS 325 CO 0.48 -0.06 1.26 0.15 -0.36 0.00 0.00 175.35 176.83 3mhs s LYS 326 N -1.83 3.64 -0.01 4.03 1.02 -1.26 -4.65 119.74 120.68 3mhs s LYS 326 Ca 0.50 2.03 0.04 0.00 0.02 0.00 0.00 55.97 58.56 3mhs s LYS 326 Cb -0.33 -2.47 -0.01 0.00 -0.52 0.00 0.00 37.83 34.50 3mhs s LYS 326 CO 0.43 -0.73 -0.14 -1.21 -0.92 0.00 0.00 175.35 172.78 3mhs s GLU 327 N -2.62 1.16 -0.31 1.68 2.02 -0.00 -4.97 118.70 115.65 3mhs s GLU 327 Ca 0.64 -0.53 -0.15 0.00 0.02 0.00 0.00 54.97 54.95 3mhs s GLU 327 Cb -0.35 -1.12 -0.02 0.00 0.10 0.00 0.00 34.13 32.74 3mhs s GLU 327 CO 0.43 0.31 0.39 -1.14 0.02 0.00 0.00 175.26 175.26 3mhs s GLN 328 N -0.38 3.79 0.08 1.61 0.74 -1.26 -0.21 119.66 124.03 3mhs s GLN 328 Ca 0.05 -0.17 -0.30 0.00 0.05 0.00 0.00 55.36 55.00 3mhs s GLN 328 Cb -0.06 -3.73 -0.05 0.00 1.10 0.00 0.00 33.01 30.27 3mhs s GLN 328 CO -0.00 -0.42 1.03 -0.51 -0.55 0.00 0.00 175.29 174.84 3mhs s LEU 329 N 2.09 4.44 0.00 3.68 1.43 0.05 -4.97 118.68 125.41 3mhs s LEU 329 Ca 0.14 1.85 0.16 0.00 -1.03 0.00 0.00 54.13 55.25 3mhs s LEU 329 Cb -0.16 -3.58 0.17 0.00 0.03 0.00 0.00 46.19 42.65 3mhs s LEU 329 CO 0.11 -0.22 1.07 0.29 0.23 0.00 0.00 176.35 177.83 3mhs n LYS 330 N 3.22 1.48 -0.24 1.70 5.02 -1.26 -4.09 118.16 123.98 3mhs n LYS 330 Ca 0.05 -1.59 0.06 0.00 -2.02 0.00 0.00 58.31 54.81 3mhs n LYS 330 Cb 0.49 -1.32 0.08 0.00 -0.02 0.00 0.00 35.03 34.25 3mhs n LYS 330 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3mhs n ASP 331 N 0.92 1.38 -4.46 4.39 5.75 -1.26 -5.02 116.55 118.26 3mhs n ASP 331 Ca 0.11 -2.62 -0.34 0.00 -0.01 0.00 0.00 54.79 51.92 3mhs n ASP 331 Cb 0.42 -0.33 -0.12 0.00 -1.03 0.00 0.00 41.12 40.06 3mhs n ASP 331 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3mhs s PHE 332 N -1.67 3.03 -0.23 2.11 5.36 -1.26 -5.08 117.98 120.24 3mhs s PHE 332 Ca 0.18 -0.42 -0.29 0.00 -0.96 0.00 0.00 56.93 55.44 3mhs s PHE 332 Cb 0.16 -2.04 0.00 0.00 -0.34 0.00 0.00 43.02 40.81 3mhs s PHE 332 CO 0.02 -0.18 1.12 -0.80 -1.46 0.00 0.00 175.22 173.92 3mhs s ASN 333 N 0.78 7.00 -0.10 6.13 0.01 -1.26 -4.78 114.94 122.71 3mhs s ASN 333 Ca -0.00 1.39 -0.05 0.00 -0.71 0.00 0.00 52.86 53.49 3mhs s ASN 333 Cb -0.14 -2.54 0.05 0.00 0.41 0.00 0.00 41.25 39.02 3mhs s ASN 333 CO 0.02 -0.76 0.23 -0.47 -1.51 0.00 0.00 177.10 174.61 3mhs s TYR 334 N 3.45 -0.31 -0.16 2.20 5.04 -1.26 -5.10 117.35 121.20 3mhs s TYR 334 Ca 0.48 0.76 0.01 0.00 -2.44 0.00 0.00 57.07 55.87 3mhs s TYR 334 Cb -0.16 0.03 0.02 0.00 0.35 0.00 0.00 41.96 42.20 3mhs s TYR 334 CO 0.11 -0.23 -0.17 -1.58 -1.34 0.00 0.00 175.55 172.34 3mhs s HIS 335 N 1.28 2.46 0.11 4.97 5.65 -1.26 -2.56 115.29 125.94 3mhs s HIS 335 Ca -0.09 -1.42 -0.27 0.00 0.25 0.00 0.00 55.06 53.52 3mhs s HIS 335 Cb -0.11 -1.75 -0.06 0.00 -1.18 0.00 0.00 32.58 29.48 3mhs s HIS 335 CO -0.08 -0.73 0.85 0.00 -0.65 0.00 0.00 174.74 174.13 3mhs h GLY 337 N 5.27 0.00 1.42 0.00 0.00 -1.96 0.54 103.07 108.34 3mhs h GLY 337 Ca -0.44 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 46.59 3mhs h GLY 337 CO 0.70 0.00 -1.34 0.83 0.00 0.00 0.00 176.54 176.74 3mhs h GLU 338 N 0.00 0.44 -0.12 4.80 5.08 -1.97 -3.35 114.58 119.46 3mhs h GLU 338 Ca -0.01 -0.71 0.00 0.00 -1.00 0.00 0.00 59.36 57.63 3mhs h GLU 338 Cb 1.09 0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.60 3mhs h GLU 338 CO 0.01 1.33 0.00 0.00 -1.00 0.00 0.00 179.01 179.35 3mhs n ASN 340 N 0.96 -3.64 -3.50 0.00 5.15 0.16 -4.99 115.26 109.39 3mhs n ASN 340 Ca 0.11 -0.92 -0.13 0.00 -0.60 0.00 0.00 54.58 53.04 3mhs n ASN 340 Cb 0.44 -3.75 -0.04 0.00 -0.53 0.00 0.00 39.78 35.90 3mhs n ASN 340 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3mhs s SER 341 N -3.83 -0.50 0.16 1.20 1.04 -1.07 -4.95 113.70 105.74 3mhs s SER 341 Ca 0.28 0.10 -0.30 0.00 0.48 0.00 0.00 55.95 56.50 3mhs s SER 341 Cb -0.09 0.55 -0.08 0.00 0.10 0.00 0.00 66.02 66.50 3mhs s SER 341 CO 0.84 -0.84 1.30 -0.89 0.98 0.00 0.00 173.24 174.62 3mhs s THR 342 N -3.08 3.39 0.04 2.02 2.01 -1.26 -0.69 115.64 118.08 3mhs s THR 342 Ca -0.02 1.09 -0.02 0.00 0.31 0.00 0.00 61.69 63.05 3mhs s THR 342 Cb -0.00 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 3mhs s THR 342 CO -0.07 0.13 -0.00 -1.10 -0.69 0.00 0.00 174.62 172.89 3mhs s GLN 343 N 0.34 0.56 -0.51 4.92 -1.52 -1.06 -4.95 119.66 117.45 3mhs s GLN 343 Ca 0.58 -1.01 -0.23 0.00 -1.95 0.00 0.00 55.36 52.75 3mhs s GLN 343 Cb -0.35 0.20 0.04 0.00 -0.22 0.00 0.00 33.01 32.68 3mhs s GLN 343 CO 0.35 -0.11 0.84 -0.51 -0.25 0.00 0.00 175.29 175.61 3mhs s ASP 344 N -2.50 6.35 0.60 5.90 -0.00 -1.26 -4.38 116.67 121.38 3mhs s ASP 344 Ca 0.00 -0.33 -0.18 0.00 -0.00 0.00 0.00 52.55 52.04 3mhs s ASP 344 Cb 0.03 -2.40 -0.03 0.00 -0.00 0.00 0.00 42.92 40.52 3mhs s ASP 344 CO -0.07 -1.07 1.14 0.00 -0.00 0.00 0.00 175.17 175.17 3mhs s ALA 345 N 3.53 2.56 -0.24 5.23 0.00 -1.26 -4.38 121.76 127.21 3mhs s ALA 345 Ca 0.28 0.79 -0.14 0.00 0.00 0.00 0.00 51.96 52.89 3mhs s ALA 345 Cb -0.13 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 3mhs s ALA 345 CO 0.20 -1.06 0.31 0.42 0.00 0.00 0.00 175.76 175.62 3mhs s ILE 346 N -1.91 5.25 -0.05 0.00 -1.09 0.07 -0.77 121.20 122.70 3mhs s ILE 346 Ca 0.72 0.48 0.01 0.00 -2.23 0.00 0.00 60.65 59.63 3mhs s ILE 346 Cb -0.25 -3.64 -0.03 0.00 -1.58 0.00 0.00 42.46 36.96 3mhs s ILE 346 CO 0.33 0.25 -0.04 -0.75 -1.23 0.00 0.00 174.94 173.51 3mhs s LYS 347 N 1.46 2.78 -0.06 2.79 2.20 0.71 -1.07 119.74 128.56 3mhs s LYS 347 Ca 0.14 -0.55 -0.04 0.00 -0.36 0.00 0.00 55.97 55.16 3mhs s LYS 347 Cb -0.15 -2.64 0.02 0.00 -1.51 0.00 0.00 37.83 33.55 3mhs s LYS 347 CO 0.08 0.66 0.14 -1.14 -0.36 0.00 0.00 175.35 174.72 3mhs s GLN 348 N -1.06 0.14 -0.19 4.03 0.74 -0.67 -0.82 119.66 121.83 3mhs s GLN 348 Ca 0.15 0.25 -0.10 0.00 0.05 0.00 0.00 55.36 55.72 3mhs s GLN 348 Cb -0.11 -0.01 -0.05 0.00 1.10 0.00 0.00 33.01 33.94 3mhs s GLN 348 CO 0.04 -0.07 0.13 -0.51 -0.55 0.00 0.00 175.29 174.33 3mhs s LEU 349 N 0.46 4.21 0.27 3.68 1.43 -1.26 -1.30 118.68 126.18 3mhs s LEU 349 Ca -0.03 0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.34 3mhs s LEU 349 Cb -0.05 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 3mhs s LEU 349 CO -0.02 0.21 0.15 -0.83 0.23 0.00 0.00 176.35 176.09 3mhs s GLY 350 N 0.19 1.86 -0.19 -3.19 0.00 -0.28 -4.31 107.32 101.41 3mhs s GLY 350 Ca 0.09 -1.79 -0.20 0.00 0.00 0.00 0.00 44.72 42.81 3mhs s GLY 350 CO -0.01 -1.53 0.61 -0.42 0.00 0.00 0.00 173.10 171.75 3mhs s ILE 351 N -3.76 5.04 -0.17 0.90 -1.09 0.51 0.12 121.20 122.75 3mhs s ILE 351 Ca 0.37 1.15 -0.20 0.00 -2.23 0.00 0.00 60.65 59.75 3mhs s ILE 351 Cb 0.06 -3.93 -0.22 0.00 -1.58 0.00 0.00 42.46 36.79 3mhs s ILE 351 CO 0.16 0.14 0.37 -0.74 -1.23 0.00 0.00 174.94 173.64 3mhs h HIS 352 N 7.41 0.14 -3.69 3.97 -0.00 -0.69 -1.36 115.15 120.93 3mhs h HIS 352 Ca -0.33 -0.11 -0.36 0.00 -0.00 0.00 0.00 60.37 59.57 3mhs h HIS 352 Cb 1.15 -0.01 -0.31 0.00 -0.00 0.00 0.00 27.41 28.24 3mhs h HIS 352 CO 0.70 1.48 -0.76 0.15 -0.00 0.00 0.00 177.93 179.50 3mhs s LYS 353 N -2.39 0.58 0.27 5.26 -0.14 -0.85 -4.92 119.74 117.54 3mhs s LYS 353 Ca -0.25 -0.13 -0.07 0.00 -1.36 0.00 0.00 55.97 54.16 3mhs s LYS 353 Cb 0.05 -0.60 -0.06 0.00 -1.68 0.00 0.00 37.83 35.53 3mhs s LYS 353 CO 0.66 0.01 0.56 -0.51 -0.76 0.00 0.00 175.35 175.31 3mhs s LEU 354 N 0.42 4.09 0.50 3.17 1.43 -1.26 -0.42 118.68 126.61 3mhs s LEU 354 Ca -0.05 0.81 -0.05 0.00 -1.03 0.00 0.00 54.13 53.81 3mhs s LEU 354 Cb -0.09 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.50 3mhs s LEU 354 CO -0.00 -0.15 0.80 -2.16 0.23 0.00 0.00 176.35 175.06 3mhs s PRO 355 N -3.26 3.34 0.21 1.29 0.04 -1.26 -4.71 135.00 130.65 3mhs s PRO 355 Ca 0.46 0.08 -0.05 0.00 0.04 0.00 0.00 61.00 61.52 3mhs s PRO 355 Cb -0.11 -2.37 0.17 0.00 0.04 0.00 0.00 34.50 32.23 3mhs s PRO 355 CO 0.27 -0.32 1.64 0.77 0.04 0.00 0.00 177.00 179.39 3mhs h SER 356 N 0.15 0.84 -3.08 6.66 0.02 -1.43 -3.40 113.55 113.31 3mhs h SER 356 Ca -0.47 -0.28 -0.65 0.00 -0.84 0.00 0.00 61.79 59.55 3mhs h SER 356 Cb 1.22 -0.23 -0.35 0.00 0.14 0.00 0.00 62.40 63.18 3mhs h SER 356 CO 0.61 1.00 -0.85 -0.69 -1.14 0.00 0.00 176.83 175.76 3mhs s VAL 357 N -4.71 1.92 -0.26 2.27 1.01 -0.54 -0.77 120.40 119.32 3mhs s VAL 357 Ca -0.10 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 60.93 3mhs s VAL 357 Cb 0.13 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 3mhs s VAL 357 CO 0.84 0.52 0.15 -0.22 0.00 0.00 0.00 175.10 176.39 3mhs s LEU 358 N 1.35 3.94 -0.17 3.92 2.96 0.43 -4.44 118.68 126.67 3mhs s LEU 358 Ca 0.05 -0.00 -0.04 0.00 -0.22 0.00 0.00 54.13 53.92 3mhs s LEU 358 Cb -0.13 -2.07 -0.02 0.00 0.50 0.00 0.00 46.19 44.47 3mhs s LEU 358 CO -0.12 0.00 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.18 3mhs s VAL 359 N 1.44 3.70 -0.07 1.68 1.01 -1.26 -0.94 120.40 125.95 3mhs s VAL 359 Ca 0.07 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 61.68 3mhs s VAL 359 Cb -0.15 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 3mhs s VAL 359 CO 0.07 0.47 -0.22 -0.76 0.00 0.00 0.00 175.10 174.66 3mhs s LEU 360 N 0.70 2.22 -0.16 3.92 1.43 -0.32 -1.32 118.68 125.16 3mhs s LEU 360 Ca -0.02 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.61 3mhs s LEU 360 Cb -0.15 -1.43 -0.01 0.00 0.03 0.00 0.00 46.19 44.64 3mhs s LEU 360 CO 0.02 0.23 -0.12 -1.58 0.23 0.00 0.00 176.35 175.13 3mhs s GLN 361 N -0.08 3.33 -0.14 1.70 0.74 0.77 -1.32 119.66 124.66 3mhs s GLN 361 Ca -0.05 -0.69 -0.20 0.00 0.05 0.00 0.00 55.36 54.46 3mhs s GLN 361 Cb -0.14 -2.71 -0.03 0.00 1.10 0.00 0.00 33.01 31.22 3mhs s GLN 361 CO 0.04 0.06 0.57 -0.51 -0.55 0.00 0.00 175.29 174.91 3mhs s LEU 362 N 0.74 4.23 -1.23 3.68 1.43 -0.30 -0.22 118.68 127.00 3mhs s LEU 362 Ca -0.05 0.88 -0.20 0.00 -1.03 0.00 0.00 54.13 53.73 3mhs s LEU 362 Cb -0.15 -2.83 0.05 0.00 0.03 0.00 0.00 46.19 43.28 3mhs s LEU 362 CO 0.01 -0.12 1.71 -0.54 0.23 0.00 0.00 176.35 177.65 3mhs s LYS 363 N 1.15 3.72 -0.82 1.70 1.02 0.58 -4.84 119.74 122.25 3mhs s LYS 363 Ca 0.29 -1.71 -0.05 0.00 0.02 0.00 0.00 55.97 54.52 3mhs s LYS 363 Cb -0.16 -5.46 0.05 0.00 -0.52 0.00 0.00 37.83 31.74 3mhs s LYS 363 CO 0.12 -2.46 2.69 0.54 -0.92 0.00 0.00 175.35 175.32 3mhs n ARG 364 N 8.49 3.32 -3.51 1.68 1.74 -1.26 -4.57 116.66 122.55 3mhs n ARG 364 Ca 0.45 -2.69 -0.14 0.00 -0.77 0.00 0.00 57.85 54.70 3mhs n ARG 364 Cb 0.47 -2.36 -0.05 0.00 -1.02 0.00 0.00 32.46 29.50 3mhs n ARG 364 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3mhs s PHE 365 N -1.11 -0.55 0.04 -1.55 -0.12 -1.26 -1.84 117.98 111.59 3mhs s PHE 365 Ca 0.58 0.78 -0.02 0.00 -0.05 0.00 0.00 56.93 58.22 3mhs s PHE 365 Cb 0.29 0.46 -0.03 0.00 -0.63 0.00 0.00 43.02 43.12 3mhs s PHE 365 CO -0.15 -0.61 0.01 -1.83 -0.05 0.00 0.00 175.22 172.60 3mhs s GLU 366 N -1.92 0.54 -0.15 1.99 -1.05 -0.11 -4.84 118.70 113.17 3mhs s GLU 366 Ca -0.05 -0.94 -0.06 0.00 -0.15 0.00 0.00 54.97 53.77 3mhs s GLU 366 Cb -0.00 0.20 -0.04 0.00 -0.44 0.00 0.00 34.13 33.85 3mhs s GLU 366 CO 0.02 -0.11 0.05 -1.58 0.95 0.00 0.00 175.26 174.59 3mhs s HIS 367 N -2.99 3.27 0.35 4.83 5.65 -1.26 -0.49 115.29 124.65 3mhs s HIS 367 Ca -0.02 0.16 0.07 0.00 0.25 0.00 0.00 55.06 55.52 3mhs s HIS 367 Cb 0.01 -1.97 -0.02 0.00 -1.18 0.00 0.00 32.58 29.42 3mhs s HIS 367 CO -0.07 0.32 0.38 -0.51 -0.65 0.00 0.00 174.74 174.22 3mhs s LEU 368 N -0.19 3.70 0.45 8.88 1.43 0.46 -4.97 118.68 128.45 3mhs s LEU 368 Ca 0.07 -0.42 0.21 0.00 -1.03 0.00 0.00 54.13 52.97 3mhs s LEU 368 Cb -0.12 -2.41 1.10 0.00 0.03 0.00 0.00 46.19 44.79 3mhs s LEU 368 CO 0.01 -0.45 1.94 0.25 0.23 0.00 0.00 176.35 178.34 3mhs h LEU 369 N 1.05 0.00 0.00 1.79 5.85 -1.99 -2.33 115.31 119.68 3mhs h LEU 369 Ca -0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 3mhs h LEU 369 Cb 1.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.29 3mhs h LEU 369 CO 0.55 0.22 0.00 -0.46 -0.34 0.00 0.00 178.44 178.42 3mhs n ASN 370 N -3.77 0.00 0.00 1.25 0.23 -1.26 -4.84 115.26 106.86 3mhs n ASN 370 Ca -0.02 -1.63 0.00 0.00 -0.53 0.00 0.00 54.58 52.40 3mhs n ASN 370 Cb 0.33 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.03 3mhs n ASN 370 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3mhs n GLY 371 N 0.59 0.83 3.94 4.83 0.00 -0.88 -5.04 105.19 109.45 3mhs n GLY 371 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 3mhs n GLY 371 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mhs s SER 372 N -2.78 5.96 0.24 1.61 1.04 -1.26 -4.90 113.70 113.61 3mhs s SER 372 Ca 0.00 0.52 0.10 0.00 0.48 0.00 0.00 55.95 57.04 3mhs s SER 372 Cb 0.00 -1.80 -0.04 0.00 0.10 0.00 0.00 66.02 64.28 3mhs s SER 372 CO 0.00 -0.66 -0.06 0.20 0.98 0.00 0.00 173.24 173.69 3mhs s ASN 373 N -4.18 4.30 0.00 7.02 0.01 -1.26 -0.41 114.94 120.43 3mhs s ASN 373 Ca 0.47 -0.68 0.03 0.00 -0.71 0.00 0.00 52.86 51.97 3mhs s ASN 373 Cb -0.10 -0.72 -0.01 0.00 0.41 0.00 0.00 41.25 40.83 3mhs s ASN 373 CO 0.40 0.04 -0.08 -0.60 -1.51 0.00 0.00 177.10 175.35 3mhs s ARG 374 N -3.35 0.65 0.36 -0.60 3.52 0.36 -4.86 118.95 115.03 3mhs s ARG 374 Ca 0.29 -0.37 -0.26 0.00 -0.13 0.00 0.00 55.73 55.26 3mhs s ARG 374 Cb -0.07 -0.61 -0.09 0.00 -1.56 0.00 0.00 34.95 32.62 3mhs s ARG 374 CO 0.17 0.16 1.09 0.21 -0.81 0.00 0.00 175.30 176.13 3mhs s LYS 375 N -0.41 4.27 -0.38 5.12 2.20 -1.26 -0.93 119.74 128.36 3mhs s LYS 375 Ca 0.02 1.68 -0.14 0.00 -0.36 0.00 0.00 55.97 57.17 3mhs s LYS 375 Cb -0.04 -2.76 0.01 0.00 -1.51 0.00 0.00 37.83 33.52 3mhs s LYS 375 CO -0.00 -0.08 0.27 -0.51 -0.36 0.00 0.00 175.35 174.66 3mhs s LEU 376 N -2.26 4.85 0.00 5.43 1.43 -0.77 -4.88 118.68 122.49 3mhs s LEU 376 Ca 0.54 -0.74 0.22 0.00 -1.03 0.00 0.00 54.13 53.11 3mhs s LEU 376 Cb -0.27 -2.14 0.52 0.00 0.03 0.00 0.00 46.19 44.33 3mhs s LEU 376 CO 0.34 -0.37 1.44 0.47 0.23 0.00 0.00 176.35 178.47 3mhs n ASP 377 N 5.12 3.00 -4.62 2.29 8.00 -1.26 -4.69 116.55 124.39 3mhs n ASP 377 Ca -0.12 -1.93 -0.51 0.00 0.71 0.00 0.00 54.79 52.94 3mhs n ASP 377 Cb 0.48 -0.24 -0.06 0.00 -0.02 0.00 0.00 41.12 41.28 3mhs n ASP 377 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3mhs n ASP 378 N 1.18 2.04 -4.73 -2.24 10.43 -1.26 -4.92 116.55 117.05 3mhs n ASP 378 Ca 0.19 1.10 -0.42 0.00 2.57 0.00 0.00 54.79 58.23 3mhs n ASP 378 Cb 0.53 -1.24 -0.03 0.00 1.84 0.00 0.00 41.12 42.22 3mhs n ASP 378 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 3mhs s PHE 379 N 0.94 3.08 -0.21 1.24 5.36 -1.26 -4.94 117.98 122.19 3mhs s PHE 379 Ca 0.85 0.85 0.01 0.00 -0.96 0.00 0.00 56.93 57.68 3mhs s PHE 379 Cb -0.90 -3.84 0.04 0.00 -0.34 0.00 0.00 43.02 37.98 3mhs s PHE 379 CO 0.47 -2.92 -0.12 0.42 -1.46 0.00 0.00 175.22 171.61 3mhs s ILE 380 N 0.67 1.87 0.18 3.12 -1.09 -1.26 -4.69 121.20 120.00 3mhs s ILE 380 Ca 0.65 -1.18 -0.30 0.00 -2.23 0.00 0.00 60.65 57.58 3mhs s ILE 380 Cb -0.42 -1.91 -0.09 0.00 -1.58 0.00 0.00 42.46 38.47 3mhs s ILE 380 CO 0.36 0.17 1.36 -0.70 -1.23 0.00 0.00 174.94 174.90 3mhs s GLU 381 N 1.29 4.35 0.00 2.79 -6.30 -0.00 -4.72 118.70 116.10 3mhs s GLU 381 Ca -0.02 2.10 0.04 0.00 -2.50 0.00 0.00 54.97 54.59 3mhs s GLU 381 Cb -0.17 -3.20 -0.01 0.00 0.00 0.00 0.00 34.13 30.75 3mhs s GLU 381 CO -0.08 -0.34 -0.13 -0.59 0.02 0.00 0.00 175.26 174.14 3mhs s PHE 382 N 0.41 1.16 0.31 5.30 -0.12 -1.26 0.34 117.98 124.13 3mhs s PHE 382 Ca 0.60 -0.25 -0.07 0.00 -0.05 0.00 0.00 56.93 57.16 3mhs s PHE 382 Cb -0.38 -0.73 -0.06 0.00 -0.63 0.00 0.00 43.02 41.23 3mhs s PHE 382 CO 0.36 -0.01 0.61 -1.25 -0.05 0.00 0.00 175.22 174.89 3mhs s PRO 383 N -0.51 3.68 0.42 1.99 0.04 -1.26 -4.98 135.00 134.37 3mhs s PRO 383 Ca 0.04 0.14 0.15 0.00 0.04 0.00 0.00 61.00 61.36 3mhs s PRO 383 Cb -0.06 -2.58 0.90 0.00 0.04 0.00 0.00 34.50 32.81 3mhs s PRO 383 CO -0.00 0.16 1.92 1.79 0.04 0.00 0.00 177.00 180.90 3mhs h THR 384 N 1.32 1.14 -3.67 1.26 1.35 -1.95 -3.42 112.91 108.94 3mhs h THR 384 Ca -0.47 -0.93 -0.41 0.00 -0.55 0.00 0.00 66.41 64.05 3mhs h THR 384 Cb 1.19 1.51 -0.32 0.00 -1.73 0.00 0.00 68.15 68.80 3mhs h THR 384 CO 0.66 0.26 -0.78 -0.31 -0.25 0.00 0.00 175.52 175.10 3mhs s TYR 385 N -4.38 0.81 -0.15 4.73 2.02 -1.26 -1.11 117.35 118.01 3mhs s TYR 385 Ca -0.03 -0.21 0.02 0.00 -0.37 0.00 0.00 57.07 56.47 3mhs s TYR 385 Cb 0.15 -0.63 0.01 0.00 -0.40 0.00 0.00 41.96 41.08 3mhs s TYR 385 CO 0.70 -0.13 -0.19 -1.17 -1.57 0.00 0.00 175.55 173.19 3mhs s LEU 386 N 0.45 2.25 -0.27 -1.29 2.96 0.10 -4.94 118.68 117.95 3mhs s LEU 386 Ca -0.06 -0.56 -0.11 0.00 -0.22 0.00 0.00 54.13 53.18 3mhs s LEU 386 Cb -0.10 -1.49 -0.05 0.00 0.50 0.00 0.00 46.19 45.05 3mhs s LEU 386 CO 0.00 0.08 0.17 0.21 -1.32 0.00 0.00 176.35 175.49 3mhs s ASN 387 N 0.84 5.95 0.00 3.68 3.84 -1.26 -0.17 114.94 127.83 3mhs s ASN 387 Ca -0.06 -0.00 0.19 0.00 0.21 0.00 0.00 52.86 53.20 3mhs s ASN 387 Cb -0.15 -2.10 0.52 0.00 -0.55 0.00 0.00 41.25 38.97 3mhs s ASN 387 CO -0.02 -0.02 1.44 0.23 -2.79 0.00 0.00 177.10 175.93 3mhs n MET 388 N 4.88 2.33 -0.00 0.43 2.81 0.20 -4.60 117.12 123.17 3mhs n MET 388 Ca -0.14 -2.06 0.03 0.00 -1.81 0.00 0.00 57.70 53.71 3mhs n MET 388 Cb 0.52 -1.46 0.39 0.00 -0.71 0.00 0.00 33.22 31.96 3mhs n MET 388 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 3mhs h LYS 389 N 3.46 0.54 0.00 0.03 2.10 -1.81 -2.18 116.57 118.70 3mhs h LYS 389 Ca 0.00 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 3mhs h LYS 389 Cb 0.79 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.01 3mhs h LYS 389 CO 0.00 0.41 0.00 0.09 -2.00 0.00 0.00 179.45 177.95 3mhs n ASN 390 N -4.42 0.00 -0.16 7.07 3.02 -1.26 -3.16 115.26 116.35 3mhs n ASN 390 Ca 0.03 0.18 0.06 0.00 -0.03 0.00 0.00 54.58 54.82 3mhs n ASN 390 Cb 0.11 -0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 38.89 3mhs n ASN 390 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3mhs n TYR 391 N -1.36 0.00 -2.74 3.10 4.01 -0.82 -4.98 117.16 114.37 3mhs n TYR 391 Ca 0.07 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.39 3mhs n TYR 391 Cb 0.17 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.17 3mhs n TYR 391 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3mhs h SER 393 N 6.80 0.63 -3.33 0.00 0.02 -1.56 -3.44 113.55 112.68 3mhs h SER 393 Ca -0.41 -0.27 -0.63 0.00 -0.84 0.00 0.00 61.79 59.64 3mhs h SER 393 Cb 1.22 -0.18 -0.19 0.00 0.14 0.00 0.00 62.40 63.39 3mhs h SER 393 CO 0.75 0.95 -0.61 -0.89 -1.14 0.00 0.00 176.83 175.89 3mhs s THR 394 N -4.29 4.38 0.22 -2.27 2.01 -1.26 -5.07 115.64 109.36 3mhs s THR 394 Ca -0.08 -0.18 -0.03 0.00 0.31 0.00 0.00 61.69 61.71 3mhs s THR 394 Cb 0.12 -2.96 -0.05 0.00 0.01 0.00 0.00 72.50 69.62 3mhs s THR 394 CO 0.83 0.46 0.45 -0.54 -0.69 0.00 0.00 174.62 175.13 3mhs s LYS 395 N 0.47 3.59 0.42 4.92 1.02 -1.26 -4.78 119.74 124.13 3mhs s LYS 395 Ca 0.00 -0.15 0.02 0.00 0.02 0.00 0.00 55.97 55.86 3mhs s LYS 395 Cb -0.13 -2.77 -0.00 0.00 -0.52 0.00 0.00 37.83 34.41 3mhs s LYS 395 CO 0.02 0.35 0.62 -1.21 -0.92 0.00 0.00 175.35 174.21 3mhs s GLU 396 N -3.25 3.06 0.49 1.68 2.02 -0.20 -4.81 118.70 117.69 3mhs s GLU 396 Ca 0.41 -0.63 -0.23 0.00 0.02 0.00 0.00 54.97 54.54 3mhs s GLU 396 Cb -0.11 -2.62 -0.06 0.00 0.10 0.00 0.00 34.13 31.43 3mhs s GLU 396 CO 0.28 -0.20 1.29 0.15 0.02 0.00 0.00 175.26 176.80 3mhs s LYS 397 N -4.47 3.49 -0.23 1.61 3.01 -1.26 -0.91 119.74 120.97 3mhs s LYS 397 Ca 0.48 2.09 -0.13 0.00 -1.01 0.00 0.00 55.97 57.39 3mhs s LYS 397 Cb -0.10 -2.40 0.07 0.00 -1.01 0.00 0.00 37.83 34.39 3mhs s LYS 397 CO 0.36 -0.87 0.57 0.34 0.51 0.00 0.00 175.35 176.27 3mhs s ASP 398 N -1.02 -0.76 -0.78 2.83 2.15 -1.26 -4.67 116.67 113.16 3mhs s ASP 398 Ca 0.66 1.25 -0.14 0.00 0.43 0.00 0.00 52.55 54.75 3mhs s ASP 398 Cb -0.36 1.13 -0.11 0.00 -0.30 0.00 0.00 42.92 43.27 3mhs s ASP 398 CO 0.44 -0.22 1.95 2.29 -0.17 0.00 0.00 175.17 179.47 3mhs n LYS 399 N 4.24 1.65 0.00 4.34 2.85 -1.26 -4.72 118.16 125.26 3mhs n LYS 399 Ca -0.21 -1.58 0.00 0.00 -1.05 0.00 0.00 58.31 55.46 3mhs n LYS 399 Cb 0.57 -2.65 0.00 0.00 -0.65 0.00 0.00 35.03 32.30 3mhs n LYS 399 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 3mhs n GLU 402 N 5.68 0.35 -0.08 -1.58 2.13 -1.26 -5.15 120.64 120.73 3mhs n GLU 402 Ca 0.45 0.00 0.26 0.00 0.66 0.00 0.00 57.16 58.53 3mhs n GLU 402 Cb 0.26 -0.84 0.67 0.00 0.27 0.00 0.00 31.44 31.80 3mhs n GLU 402 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 3mhs h ASN 403 N 0.00 0.00 -5.00 4.31 4.21 -1.96 -3.47 115.58 113.66 3mhs h ASN 403 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3mhs h ASN 403 Cb 0.68 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.88 3mhs h ASN 403 CO 0.00 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.75 3mhs n GLY 404 N -1.61 -0.37 3.25 2.83 0.00 -1.26 -4.88 105.19 103.15 3mhs n GLY 404 Ca 0.16 -2.28 -0.13 0.00 0.00 0.00 0.00 46.02 43.76 3mhs n GLY 404 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mhs s LYS 405 N -0.90 0.65 -0.00 1.61 -2.85 -0.09 -4.88 119.74 113.27 3mhs s LYS 405 Ca 0.00 -0.09 -0.20 0.00 -1.00 0.00 0.00 55.97 54.68 3mhs s LYS 405 Cb 0.00 0.29 -0.05 0.00 -2.06 0.00 0.00 37.83 36.00 3mhs s LYS 405 CO 0.00 -0.17 0.57 0.08 0.10 0.00 0.00 175.35 175.93 3mhs s VAL 406 N -1.13 4.91 0.81 1.79 1.01 -1.26 -1.03 120.40 125.50 3mhs s VAL 406 Ca -0.12 1.20 -0.11 0.00 0.00 0.00 0.00 61.98 62.95 3mhs s VAL 406 Cb -0.05 -3.91 0.08 0.00 0.00 0.00 0.00 36.38 32.50 3mhs s VAL 406 CO 0.04 0.44 1.09 -2.16 0.00 0.00 0.00 175.10 174.51 3mhs s PRO 407 N -0.31 1.97 0.21 2.72 0.04 -1.26 -4.95 135.00 133.42 3mhs s PRO 407 Ca 0.30 0.93 -0.32 0.00 0.04 0.00 0.00 61.00 61.95 3mhs s PRO 407 Cb -0.18 -1.88 -0.14 0.00 0.04 0.00 0.00 34.50 32.34 3mhs s PRO 407 CO 0.17 -1.78 1.48 -0.25 0.04 0.00 0.00 177.00 176.66 3mhs n ASP 408 N -3.58 2.91 -3.66 6.66 8.00 -1.26 -4.60 116.55 121.02 3mhs n ASP 408 Ca 0.08 1.12 -0.29 0.00 0.71 0.00 0.00 54.79 56.40 3mhs n ASP 408 Cb 0.54 -1.43 -0.15 0.00 -0.02 0.00 0.00 41.12 40.06 3mhs n ASP 408 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3mhs s ILE 409 N 0.32 0.48 -0.13 0.53 1.01 -1.26 -1.08 121.20 121.08 3mhs s ILE 409 Ca 0.72 -1.10 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 3mhs s ILE 409 Cb -0.66 -1.36 -0.02 0.00 0.01 0.00 0.00 42.46 40.44 3mhs s ILE 409 CO 0.45 -0.67 -0.12 -0.63 0.00 0.00 0.00 174.94 173.98 3mhs s ILE 410 N 1.82 3.19 0.15 2.92 1.01 0.74 -0.63 121.20 130.41 3mhs s ILE 410 Ca 0.09 -0.61 0.04 0.00 0.00 0.00 0.00 60.65 60.17 3mhs s ILE 410 Cb -0.17 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 3mhs s ILE 410 CO -0.29 0.52 0.14 -0.31 0.00 0.00 0.00 174.94 175.00 3mhs s TYR 411 N 0.31 3.19 -0.17 3.97 2.02 0.76 -0.84 117.35 126.59 3mhs s TYR 411 Ca -0.09 0.01 -0.06 0.00 -0.37 0.00 0.00 57.07 56.56 3mhs s TYR 411 Cb -0.15 -1.54 -0.03 0.00 -0.40 0.00 0.00 41.96 39.83 3mhs s TYR 411 CO 0.05 0.52 0.02 -2.00 -1.57 0.00 0.00 175.55 172.57 3mhs s GLU 412 N -2.99 3.84 0.04 -0.62 2.12 0.48 -0.72 118.70 120.85 3mhs s GLU 412 Ca 0.31 -0.42 -0.31 0.00 0.36 0.00 0.00 54.97 54.91 3mhs s GLU 412 Cb -0.11 -3.09 -0.06 0.00 0.26 0.00 0.00 34.13 31.14 3mhs s GLU 412 CO 0.24 0.25 1.25 -1.17 -0.54 0.00 0.00 175.26 175.29 3mhs s LEU 413 N 0.39 4.35 0.00 2.70 2.96 -0.27 -0.77 118.68 128.04 3mhs s LEU 413 Ca 0.00 2.04 0.00 0.00 -0.22 0.00 0.00 54.13 55.95 3mhs s LEU 413 Cb -0.13 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.98 3mhs s LEU 413 CO 0.01 -0.54 0.03 2.30 -1.32 0.00 0.00 176.35 176.83 3mhs n ILE 414 N 4.12 0.00 -3.61 6.68 -5.35 -0.23 -4.87 119.36 116.09 3mhs n ILE 414 Ca 0.10 -0.35 -0.15 0.00 -0.27 0.00 0.00 62.75 62.07 3mhs n ILE 414 Cb 0.45 1.02 -0.07 0.00 -1.74 0.00 0.00 39.64 39.31 3mhs n ILE 414 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3mhs s GLY 415 N -0.65 -0.50 -0.01 3.28 0.00 -0.99 -1.45 107.32 107.00 3mhs s GLY 415 Ca 0.00 1.55 0.00 0.00 0.00 0.00 0.00 44.72 46.27 3mhs s GLY 415 CO 0.00 1.26 0.00 -0.42 0.00 0.00 0.00 173.10 173.94 3mhs s ILE 416 N -0.31 0.07 -0.17 0.90 -1.09 -0.09 -0.54 121.20 119.97 3mhs s ILE 416 Ca -0.05 0.05 -0.02 0.00 -2.23 0.00 0.00 60.65 58.40 3mhs s ILE 416 Cb -0.03 -0.13 -0.02 0.00 -1.58 0.00 0.00 42.46 40.71 3mhs s ILE 416 CO 0.04 0.07 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.05 3mhs s VAL 417 N 0.50 3.36 0.14 2.92 1.01 -0.35 -0.44 120.40 127.55 3mhs s VAL 417 Ca -0.04 -0.53 0.10 0.00 0.00 0.00 0.00 61.98 61.50 3mhs s VAL 417 Cb -0.07 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 3mhs s VAL 417 CO -0.01 0.48 -0.21 -0.94 0.00 0.00 0.00 175.10 174.42 3mhs s SER 418 N 0.71 3.65 -0.08 3.32 1.04 -0.24 -0.28 113.70 121.81 3mhs s SER 418 Ca -0.04 -0.68 0.03 0.00 0.48 0.00 0.00 55.95 55.74 3mhs s SER 418 Cb -0.15 -0.40 -0.01 0.00 0.10 0.00 0.00 66.02 65.56 3mhs s SER 418 CO 0.02 0.16 -0.18 -2.28 0.98 0.00 0.00 173.24 171.93 3mhs s HIS 419 N -1.28 2.63 -0.13 5.02 5.04 -1.26 -1.61 115.29 123.70 3mhs s HIS 419 Ca 0.18 -0.59 0.02 0.00 -1.54 0.00 0.00 55.06 53.13 3mhs s HIS 419 Cb -0.10 -1.69 0.00 0.00 0.04 0.00 0.00 32.58 30.83 3mhs s HIS 419 CO 0.09 -0.14 -0.20 0.21 -2.34 0.00 0.00 174.74 172.36 3mhs s LYS 420 N -0.09 3.09 0.00 2.88 2.20 0.30 -4.96 119.74 123.15 3mhs s LYS 420 Ca -0.04 -0.83 0.00 0.00 -0.36 0.00 0.00 55.97 54.74 3mhs s LYS 420 Cb -0.14 -2.46 0.00 0.00 -1.51 0.00 0.00 37.83 33.72 3mhs s LYS 420 CO 0.04 0.04 0.00 0.41 -0.36 0.00 0.00 175.35 175.49 3mhs n GLY 421 N 3.92 0.51 2.25 5.54 0.00 -1.26 -0.21 105.19 115.95 3mhs n GLY 421 Ca -0.19 -1.42 -0.18 0.00 0.00 0.00 0.00 46.02 44.22 3mhs n GLY 421 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mhs n THR 422 N 7.60 0.00 -0.07 2.61 -2.24 0.47 -4.98 114.28 117.67 3mhs n THR 422 Ca 0.00 -1.39 0.01 0.00 -2.27 0.00 0.00 64.05 60.40 3mhs n THR 422 Cb 0.00 0.05 0.30 0.00 -2.10 0.00 0.00 70.33 68.59 3mhs n THR 422 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3mhs h VAL 423 N 0.89 1.17 -0.02 2.28 -1.51 -1.91 -3.11 116.25 114.04 3mhs h VAL 423 Ca -0.23 -0.50 0.00 0.00 -1.23 0.00 0.00 66.70 64.73 3mhs h VAL 423 Cb 0.77 0.56 0.00 0.00 -2.13 0.00 0.00 31.29 30.49 3mhs h VAL 423 CO 0.38 0.20 -0.36 0.59 -1.23 0.00 0.00 177.57 177.15 3mhs n ASN 424 N -4.37 2.22 -3.64 4.19 5.03 -1.26 -4.95 115.26 112.47 3mhs n ASN 424 Ca 0.04 -1.61 -0.10 0.00 0.87 0.00 0.00 54.58 53.78 3mhs n ASN 424 Cb 0.13 0.37 -0.07 0.00 -1.02 0.00 0.00 39.78 39.19 3mhs n ASN 424 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 3mhs s GLU 425 N -2.31 0.74 0.00 3.52 2.12 -1.18 -5.02 118.70 116.56 3mhs s GLU 425 Ca 0.20 1.05 0.00 0.00 0.36 0.00 0.00 54.97 56.58 3mhs s GLU 425 Cb 0.18 0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.83 3mhs s GLU 425 CO 0.50 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.51 3mhs n GLY 426 N 3.41 -0.68 3.00 -1.50 0.00 -1.26 -0.40 105.19 107.77 3mhs n GLY 426 Ca -0.17 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 3mhs n GLY 426 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3mhs s HIS 427 N -3.58 -0.18 -0.04 1.61 2.46 0.71 -4.98 115.29 111.29 3mhs s HIS 427 Ca 0.00 0.47 -0.00 0.00 0.47 0.00 0.00 55.06 56.00 3mhs s HIS 427 Cb 0.00 0.01 -0.04 0.00 -0.13 0.00 0.00 32.58 32.42 3mhs s HIS 427 CO 0.00 -0.12 0.02 0.71 -2.47 0.00 0.00 174.74 172.88 3mhs s TYR 428 N 0.56 3.16 0.08 3.88 2.02 -1.26 -0.54 117.35 125.25 3mhs s TYR 428 Ca -0.04 0.16 0.03 0.00 -0.37 0.00 0.00 57.07 56.86 3mhs s TYR 428 Cb -0.05 -1.74 -0.03 0.00 -0.40 0.00 0.00 41.96 39.74 3mhs s TYR 428 CO -0.03 0.49 -0.10 0.42 -1.57 0.00 0.00 175.55 174.76 3mhs s ILE 429 N -1.02 0.85 0.11 2.71 1.01 -0.63 -4.74 121.20 119.49 3mhs s ILE 429 Ca 0.17 -1.44 0.10 0.00 0.00 0.00 0.00 60.65 59.48 3mhs s ILE 429 Cb -0.12 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 3mhs s ILE 429 CO 0.08 -0.46 -0.23 0.00 0.00 0.00 0.00 174.94 174.32 3mhs s ALA 430 N -2.00 2.50 -0.08 9.38 0.00 -0.86 -1.08 121.76 129.62 3mhs s ALA 430 Ca 0.00 -1.40 0.02 0.00 0.00 0.00 0.00 51.96 50.59 3mhs s ALA 430 Cb -0.06 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.56 3mhs s ALA 430 CO 0.00 0.56 -0.14 -0.06 0.00 0.00 0.00 175.76 176.13 3mhs s PHE 431 N -1.07 1.67 0.02 0.00 0.08 0.41 0.03 117.98 119.13 3mhs s PHE 431 Ca 0.15 -0.67 0.06 0.00 0.12 0.00 0.00 56.93 56.59 3mhs s PHE 431 Cb -0.10 -1.21 -0.02 0.00 -0.57 0.00 0.00 43.02 41.11 3mhs s PHE 431 CO 0.07 -0.34 -0.17 0.00 -0.10 0.00 0.00 175.22 174.68 3mhs s LYS 433 N -0.91 3.63 0.48 0.00 2.20 -0.53 -1.22 119.74 123.38 3mhs s LYS 433 Ca 0.05 -0.35 0.03 0.00 -0.36 0.00 0.00 55.97 55.33 3mhs s LYS 433 Cb -0.08 -3.07 -0.03 0.00 -1.51 0.00 0.00 37.83 33.14 3mhs s LYS 433 CO 0.01 0.44 0.01 0.96 -0.36 0.00 0.00 175.35 176.41 3mhs s ILE 434 N -0.11 1.41 0.21 5.43 -4.36 -0.80 -4.93 121.20 118.04 3mhs s ILE 434 Ca 0.06 -1.99 -0.32 0.00 -0.26 0.00 0.00 60.65 58.14 3mhs s ILE 434 Cb -0.12 -2.40 -0.14 0.00 1.25 0.00 0.00 42.46 41.04 3mhs s ILE 434 CO 0.01 0.00 1.32 -0.24 0.24 0.00 0.00 174.94 176.27 3mhs n SER 435 N -1.19 2.21 0.00 4.36 2.88 -1.26 -1.30 113.62 119.32 3mhs n SER 435 Ca -0.15 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 3mhs n SER 435 Cb 0.67 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 3mhs n SER 435 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3mhs n GLY 436 N 2.16 2.44 0.06 0.46 0.00 -1.26 -4.51 105.19 104.55 3mhs n GLY 436 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3mhs n GLY 436 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mhs n GLY 437 N -2.00 0.71 3.76 -0.02 0.00 -0.42 -5.06 105.19 102.15 3mhs n GLY 437 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3mhs n GLY 437 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mhs s GLN 438 N -0.98 4.63 -0.04 1.61 -1.52 -1.24 -4.86 119.66 117.27 3mhs s GLN 438 Ca 0.00 1.25 -0.02 0.00 -1.95 0.00 0.00 55.36 54.63 3mhs s GLN 438 Cb 0.00 -3.30 -0.04 0.00 -0.22 0.00 0.00 33.01 29.45 3mhs s GLN 438 CO 0.00 0.47 0.11 -1.58 -0.25 0.00 0.00 175.29 174.03 3mhs s TRP 439 N -0.82 3.40 0.05 0.91 0.52 -1.25 -1.91 118.94 119.83 3mhs s TRP 439 Ca 0.39 0.31 0.07 0.00 0.02 0.00 0.00 56.10 56.88 3mhs s TRP 439 Cb -0.23 -1.81 -0.03 0.00 -1.15 0.00 0.00 33.47 30.26 3mhs s TRP 439 CO 0.27 0.60 -0.20 -0.06 0.02 0.00 0.00 176.95 177.59 3mhs s PHE 440 N -1.16 1.72 -0.20 -1.98 0.08 -0.36 -2.14 117.98 113.94 3mhs s PHE 440 Ca 0.21 -0.38 -0.08 0.00 0.12 0.00 0.00 56.93 56.81 3mhs s PHE 440 Cb -0.12 -1.01 -0.04 0.00 -0.57 0.00 0.00 43.02 41.28 3mhs s PHE 440 CO 0.12 0.10 0.07 0.21 -0.10 0.00 0.00 175.22 175.62 3mhs s LYS 441 N -1.27 3.91 -0.40 0.44 2.20 0.35 -1.15 119.74 123.82 3mhs s LYS 441 Ca 0.06 -0.37 -0.03 0.00 -0.36 0.00 0.00 55.97 55.27 3mhs s LYS 441 Cb -0.09 -3.26 0.10 0.00 -1.51 0.00 0.00 37.83 33.07 3mhs s LYS 441 CO 0.02 0.16 0.19 -0.06 -0.36 0.00 0.00 175.35 175.29 3mhs s PHE 442 N 0.70 3.55 -0.55 4.03 0.08 0.10 -1.14 117.98 124.75 3mhs s PHE 442 Ca 0.04 -2.33 0.04 0.00 0.12 0.00 0.00 56.93 54.79 3mhs s PHE 442 Cb -0.13 -3.11 0.14 0.00 -0.57 0.00 0.00 43.02 39.34 3mhs s PHE 442 CO 0.02 -0.95 0.30 1.21 -0.10 0.00 0.00 175.22 175.70 3mhs s ASN 443 N 1.78 4.41 0.98 1.36 3.84 -0.06 -2.02 114.94 125.23 3mhs s ASN 443 Ca 0.07 -3.16 0.00 0.00 0.21 0.00 0.00 52.86 49.98 3mhs s ASN 443 Cb -0.22 -1.64 0.00 0.00 -0.55 0.00 0.00 41.25 38.83 3mhs s ASN 443 CO -0.04 -0.21 0.00 0.47 -2.79 0.00 0.00 177.10 174.54 3mhs n ASP 444 N 2.92 0.00 0.17 -4.21 8.00 -1.26 -1.36 116.55 120.80 3mhs n ASP 444 Ca 0.07 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.71 3mhs n ASP 444 Cb 0.33 0.00 0.50 0.00 -0.02 0.00 0.00 41.12 41.93 3mhs n ASP 444 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3mhs h SER 445 N 0.00 0.00 -3.68 -2.24 4.64 -1.87 -2.05 113.55 108.34 3mhs h SER 445 Ca 0.00 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.66 3mhs h SER 445 Cb 0.00 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 61.92 3mhs h SER 445 CO 0.00 0.00 -0.29 -0.04 -0.87 0.00 0.00 176.83 175.63 3mhs s MET 446 N -3.36 3.64 -0.22 4.77 -1.94 -0.47 -4.12 119.30 117.60 3mhs s MET 446 Ca 0.05 -0.35 -0.08 0.00 -1.71 0.00 0.00 55.69 53.60 3mhs s MET 446 Cb 0.09 -3.78 -0.04 0.00 2.01 0.00 0.00 34.83 33.12 3mhs s MET 446 CO 0.49 -0.48 0.08 0.08 -0.01 0.00 0.00 175.02 175.17 3mhs s VAL 447 N 2.02 4.59 0.09 -6.03 1.01 -1.26 -0.88 120.40 119.93 3mhs s VAL 447 Ca 0.12 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.04 3mhs s VAL 447 Cb -0.16 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 3mhs s VAL 447 CO 0.11 0.38 -0.09 -0.94 0.00 0.00 0.00 175.10 174.56 3mhs s SER 448 N 1.13 1.26 0.24 3.32 1.04 -0.30 -4.97 113.70 115.42 3mhs s SER 448 Ca 0.05 -0.80 -0.30 0.00 0.48 0.00 0.00 55.95 55.38 3mhs s SER 448 Cb -0.14 0.03 -0.09 0.00 0.10 0.00 0.00 66.02 65.92 3mhs s SER 448 CO 0.03 -0.30 1.07 -0.44 0.98 0.00 0.00 173.24 174.59 3mhs s SER 449 N -2.41 7.33 0.01 7.02 0.01 -1.26 -0.49 113.70 123.91 3mhs s SER 449 Ca 0.04 2.16 -0.01 0.00 1.31 0.00 0.00 55.95 59.45 3mhs s SER 449 Cb -0.02 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.58 3mhs s SER 449 CO -0.01 -0.12 0.00 -0.51 0.41 0.00 0.00 173.24 173.02 3mhs s ILE 450 N -0.88 0.07 0.50 1.44 2.07 -0.91 -4.86 121.20 118.63 3mhs s ILE 450 Ca 0.45 -0.60 -0.20 0.00 -1.41 0.00 0.00 60.65 58.90 3mhs s ILE 450 Cb -0.30 -0.21 -0.08 0.00 0.13 0.00 0.00 42.46 42.00 3mhs s ILE 450 CO 0.38 -0.33 1.03 -0.94 -1.91 0.00 0.00 174.94 173.17 3mhs s SER 451 N -0.98 6.32 0.24 4.50 1.04 -1.26 -3.91 113.70 119.64 3mhs s SER 451 Ca -0.11 1.90 -0.05 0.00 0.48 0.00 0.00 55.95 58.17 3mhs s SER 451 Cb -0.07 -2.56 0.41 0.00 0.10 0.00 0.00 66.02 63.91 3mhs s SER 451 CO -0.00 -0.80 1.75 -0.61 0.98 0.00 0.00 173.24 174.56 3mhs h GLN 452 N 1.44 0.50 -0.70 4.02 4.15 -1.94 -1.18 115.11 121.41 3mhs h GLN 452 Ca -0.49 -0.03 0.06 0.00 0.77 0.00 0.00 58.65 58.96 3mhs h GLN 452 Cb 1.22 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.75 3mhs h GLN 452 CO 0.59 0.33 0.46 1.49 -1.93 0.00 0.00 178.83 179.77 3mhs h GLU 453 N 0.51 0.71 0.13 1.69 4.81 -1.99 -0.28 114.58 120.16 3mhs h GLU 453 Ca 0.39 -0.04 -0.29 0.00 -0.13 0.00 0.00 59.36 59.28 3mhs h GLU 453 Cb 0.52 -0.16 0.02 0.00 0.63 0.00 0.00 28.75 29.76 3mhs h GLU 453 CO -0.34 0.47 -1.25 0.93 -0.73 0.00 0.00 179.01 178.08 3mhs h GLU 454 N 0.73 0.51 -0.81 1.92 4.39 -1.78 -3.23 114.58 116.31 3mhs h GLU 454 Ca 0.30 -0.72 0.06 0.00 0.34 0.00 0.00 59.36 59.34 3mhs h GLU 454 Cb 0.24 0.25 -0.06 0.00 -0.10 0.00 0.00 28.75 29.08 3mhs h GLU 454 CO -0.10 1.32 0.50 0.28 -1.16 0.00 0.00 179.01 179.85 3mhs h VAL 455 N 0.20 1.02 0.00 3.13 2.07 -0.59 -2.01 116.25 120.08 3mhs h VAL 455 Ca -0.18 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3mhs h VAL 455 Cb 1.93 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 3mhs h VAL 455 CO 0.23 0.17 0.00 0.18 0.02 0.00 0.00 177.57 178.16 3mhs n LEU 456 N -4.66 0.45 -0.35 2.57 4.77 -0.18 -1.63 117.00 117.98 3mhs n LEU 456 Ca 0.11 0.64 0.13 0.00 -0.03 0.00 0.00 56.01 56.86 3mhs n LEU 456 Cb 0.18 -0.60 0.40 0.00 -2.33 0.00 0.00 43.42 41.07 3mhs n LEU 456 CO 0.30 -0.57 0.71 0.29 -1.33 0.00 0.00 177.39 176.80 3mhs n LYS 457 N -2.02 1.16 -2.03 3.23 5.02 -0.76 -4.75 118.16 118.00 3mhs n LYS 457 Ca 0.02 -0.70 -0.34 0.00 -2.02 0.00 0.00 58.31 55.26 3mhs n LYS 457 Cb 0.16 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 33.71 3mhs n LYS 457 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3mhs s GLU 458 N -2.33 3.10 -0.75 1.97 0.41 -0.65 -4.95 118.70 115.50 3mhs s GLU 458 Ca 0.29 1.52 -0.26 0.00 -0.41 0.00 0.00 54.97 56.10 3mhs s GLU 458 Cb 0.20 -1.98 0.02 0.00 -1.78 0.00 0.00 34.13 30.59 3mhs s GLU 458 CO 0.46 -1.04 1.40 -1.14 -0.49 0.00 0.00 175.26 174.45 3mhs s GLN 459 N -3.64 3.13 0.15 1.61 0.74 -1.26 -4.80 119.66 115.59 3mhs s GLN 459 Ca 0.70 -0.21 -0.30 0.00 0.05 0.00 0.00 55.36 55.61 3mhs s GLN 459 Cb -0.23 -4.35 -0.07 0.00 1.10 0.00 0.00 33.01 29.46 3mhs s GLN 459 CO 0.34 -2.27 1.08 0.00 -0.55 0.00 0.00 175.29 173.88 3mhs s ALA 460 N 6.25 3.34 -0.15 1.58 0.00 -1.26 -4.16 121.76 127.36 3mhs s ALA 460 Ca 0.42 0.76 -0.11 0.00 0.00 0.00 0.00 51.96 53.03 3mhs s ALA 460 Cb -0.08 -3.34 -0.07 0.00 0.00 0.00 0.00 23.12 19.63 3mhs s ALA 460 CO 0.13 -0.19 -0.24 0.98 0.00 0.00 0.00 175.76 176.44 3mhs n TYR 461 N 2.63 0.00 -4.82 0.00 9.36 0.61 -4.78 117.16 120.16 3mhs n TYR 461 Ca 0.03 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 60.93 3mhs n TYR 461 Cb 0.47 -0.55 -0.13 0.00 -0.63 0.00 0.00 39.34 38.50 3mhs n TYR 461 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 3mhs s LEU 462 N -7.28 2.67 -0.03 2.98 1.43 -0.78 -1.15 118.68 116.52 3mhs s LEU 462 Ca -0.24 -0.29 0.04 0.00 -1.03 0.00 0.00 54.13 52.61 3mhs s LEU 462 Cb 0.07 -1.55 -0.00 0.00 0.03 0.00 0.00 46.19 44.74 3mhs s LEU 462 CO 0.32 0.31 -0.13 -0.76 0.23 0.00 0.00 176.35 176.32 3mhs s LEU 463 N -1.01 1.92 -0.16 1.79 1.02 -0.43 -1.21 118.68 120.60 3mhs s LEU 463 Ca 0.13 -0.26 0.02 0.00 0.02 0.00 0.00 54.13 54.03 3mhs s LEU 463 Cb -0.11 -0.75 0.01 0.00 0.02 0.00 0.00 46.19 45.37 3mhs s LEU 463 CO 0.02 0.13 -0.21 -0.36 0.02 0.00 0.00 176.35 175.96 3mhs s PHE 464 N -0.06 2.73 -0.09 0.29 0.08 0.30 -1.17 117.98 120.06 3mhs s PHE 464 Ca -0.00 -1.48 0.03 0.00 0.12 0.00 0.00 56.93 55.60 3mhs s PHE 464 Cb -0.08 -1.87 0.01 0.00 -0.57 0.00 0.00 43.02 40.50 3mhs s PHE 464 CO 0.01 -0.70 -0.18 0.71 -0.10 0.00 0.00 175.22 174.95 3mhs s TYR 465 N 1.05 2.04 -0.03 0.36 2.02 -0.12 -1.07 117.35 121.60 3mhs s TYR 465 Ca -0.01 -0.82 0.00 0.00 -0.37 0.00 0.00 57.07 55.87 3mhs s TYR 465 Cb -0.14 -1.41 -0.03 0.00 -0.40 0.00 0.00 41.96 39.97 3mhs s TYR 465 CO -0.07 -0.37 0.00 -0.08 -1.57 0.00 0.00 175.55 173.46 3mhs s THR 466 N 0.54 4.22 0.29 -0.71 -1.32 0.05 -0.43 115.64 118.28 3mhs s THR 466 Ca -0.16 -0.47 -0.29 0.00 -1.21 0.00 0.00 61.69 59.56 3mhs s THR 466 Cb -0.17 -2.84 -0.10 0.00 -1.51 0.00 0.00 72.50 67.88 3mhs s THR 466 CO 0.06 0.46 1.44 -0.51 -2.21 0.00 0.00 174.62 173.86 3mhs s ILE 467 N -1.01 2.50 0.00 5.08 1.10 0.05 -0.39 121.20 128.54 3mhs s ILE 467 Ca 0.17 0.45 0.00 0.00 -0.51 0.00 0.00 60.65 60.76 3mhs s ILE 467 Cb -0.11 -3.29 0.00 0.00 0.15 0.00 0.00 42.46 39.21 3mhs s ILE 467 CO 0.07 0.08 0.00 -1.14 -2.11 0.00 0.00 174.94 171.85 3mhs n ARG 468 N 1.72 0.00 -3.74 3.50 3.00 -0.02 -4.81 116.66 116.31 3mhs n ARG 468 Ca 0.05 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.77 3mhs n ARG 468 Cb 0.40 -0.67 -0.14 0.00 0.00 0.00 0.00 32.46 32.05 3mhs n ARG 468 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 3mhs s GLN 469 N -1.81 0.15 -0.19 -0.14 0.74 -0.52 -5.01 119.66 112.88 3mhs s GLN 469 Ca 0.00 0.44 -0.00 0.00 0.05 0.00 0.00 55.36 55.85 3mhs s GLN 469 Cb 0.00 -0.14 0.05 0.00 1.10 0.00 0.00 33.01 34.02 3mhs s GLN 469 CO 0.00 -0.16 -0.06 0.08 -0.55 0.00 0.00 175.29 174.61 3mhs s VAL 470 N 1.15 1.27 -2.56 1.34 1.01 -1.26 -0.19 120.40 121.17 3mhs s VAL 470 Ca -0.09 -0.85 0.28 0.00 0.00 0.00 0.00 61.98 61.32 3mhs s VAL 470 Cb -0.10 -1.48 0.51 0.00 0.00 0.00 0.00 36.38 35.30 3mhs s VAL 470 CO -0.07 0.05 1.69 0.59 0.00 0.00 0.00 175.10 177.36