#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mhg s LEU 4 N 0.00 2.33 0.92 3.22 1.43 -1.26 -5.10 118.68 120.22 3mhg s LEU 4 Ca 0.00 -0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 3mhg s LEU 4 Cb 0.00 -1.43 0.15 0.00 0.03 0.00 0.00 46.19 44.93 3mhg s LEU 4 CO 0.00 0.31 1.09 0.42 0.23 0.00 0.00 176.35 178.40 3mhg s THR 5 N -0.54 2.55 0.18 5.49 -4.23 -1.26 -4.74 115.64 113.08 3mhg s THR 5 Ca 0.08 0.18 -0.18 0.00 -1.18 0.00 0.00 61.69 60.59 3mhg s THR 5 Cb -0.11 -2.54 0.14 0.00 1.34 0.00 0.00 72.50 71.33 3mhg s THR 5 CO 0.01 -0.23 1.63 -0.08 -0.54 0.00 0.00 174.62 175.40 3mhg h GLU 6 N -1.70 -0.09 -0.32 3.99 4.81 -2.00 0.04 114.58 119.31 3mhg h GLU 6 Ca -0.50 0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 58.59 3mhg h GLU 6 Cb 1.28 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 3mhg h GLU 6 CO 0.52 -0.06 -0.39 -0.91 -0.73 0.00 0.00 179.01 177.44 3mhg h ASN 7 N -0.09 0.82 -0.75 1.04 2.35 -1.92 -1.90 115.58 115.14 3mhg h ASN 7 Ca 0.23 -0.37 -0.05 0.00 -0.55 0.00 0.00 56.30 55.56 3mhg h ASN 7 Cb 0.45 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 3mhg h ASN 7 CO -0.55 1.12 0.29 0.11 -1.65 0.00 0.00 177.43 176.75 3mhg h LYS 8 N 0.63 1.14 -0.34 0.81 1.57 -1.65 -1.87 116.57 116.87 3mhg h LYS 8 Ca 0.05 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 3mhg h LYS 8 Cb 0.95 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 3mhg h LYS 8 CO 0.09 0.93 0.08 -0.09 -0.57 0.00 0.00 179.45 179.89 3mhg h ARG 9 N 1.11 0.55 -0.86 3.15 2.43 -0.83 -0.12 114.38 119.81 3mhg h ARG 9 Ca 0.25 -0.14 0.06 0.00 -0.81 0.00 0.00 59.98 59.35 3mhg h ARG 9 Cb 0.23 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.65 3mhg h ARG 9 CO -0.02 0.61 0.53 0.87 -1.51 0.00 0.00 179.97 180.45 3mhg h LYS 10 N 0.39 0.95 -0.25 0.20 1.57 -1.20 -0.79 116.57 117.45 3mhg h LYS 10 Ca 0.11 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3mhg h LYS 10 Cb 0.31 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3mhg h LYS 10 CO 0.00 0.63 0.06 0.77 -0.57 0.00 0.00 179.45 180.34 3mhg h SER 11 N 0.98 0.38 -1.00 0.86 0.02 -1.05 -2.15 113.55 111.58 3mhg h SER 11 Ca 0.37 -0.23 0.10 0.00 -0.84 0.00 0.00 61.79 61.19 3mhg h SER 11 Cb 0.16 -0.10 -0.08 0.00 0.14 0.00 0.00 62.40 62.53 3mhg h SER 11 CO -0.17 0.51 0.64 0.24 -1.14 0.00 0.00 176.83 176.91 3mhg h MET 12 N 0.23 1.04 -0.18 3.45 2.86 -0.52 -1.31 114.93 120.50 3mhg h MET 12 Ca 0.08 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.57 3mhg h MET 12 Cb 0.28 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 3mhg h MET 12 CO 0.00 0.69 -0.28 0.93 1.06 0.00 0.00 176.91 179.31 3mhg h GLU 13 N 1.07 0.35 0.00 1.72 5.08 -0.96 -1.84 114.58 120.00 3mhg h GLU 13 Ca 0.47 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3mhg h GLU 13 Cb 0.34 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3mhg h GLU 13 CO -0.22 0.60 0.00 0.87 -1.00 0.00 0.00 179.01 179.26 3mhg h LYS 14 N 0.31 0.00 -0.01 2.33 1.57 -0.59 -2.86 116.57 117.32 3mhg h LYS 14 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3mhg h LYS 14 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 3mhg h LYS 14 CO 0.05 0.00 -0.58 1.28 -0.57 0.00 0.00 179.45 179.63 3mhg n LEU 15 N -2.30 1.51 -4.48 2.94 4.77 -0.72 -2.51 117.00 116.22 3mhg n LEU 15 Ca 0.03 -0.56 -0.23 0.00 -0.03 0.00 0.00 56.01 55.22 3mhg n LEU 15 Cb 0.27 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.22 3mhg n LEU 15 CO 0.22 0.30 -0.27 -0.44 -1.33 0.00 0.00 177.39 175.87 3mhg s SER 16 N -2.65 2.58 -0.07 -1.43 0.01 -1.06 -4.05 113.70 107.03 3mhg s SER 16 Ca 0.16 -1.40 -0.01 0.00 1.31 0.00 0.00 55.95 56.02 3mhg s SER 16 Cb 0.18 -0.07 0.03 0.00 0.21 0.00 0.00 66.02 66.36 3mhg s SER 16 CO 0.65 -0.61 -0.01 -0.69 0.41 0.00 0.00 173.24 172.98 3mhg s VAL 17 N -3.22 0.43 -1.46 3.43 1.01 -0.24 -4.82 120.40 115.53 3mhg s VAL 17 Ca 0.35 0.05 -0.09 0.00 0.00 0.00 0.00 61.98 62.30 3mhg s VAL 17 Cb 0.08 -0.55 0.04 0.00 0.00 0.00 0.00 36.38 35.95 3mhg s VAL 17 CO 0.16 0.25 0.79 0.47 0.00 0.00 0.00 175.10 176.77 3mhg n ASP 18 N 4.87 -5.42 -0.00 3.32 8.00 -1.26 -1.14 116.55 124.92 3mhg n ASP 18 Ca -0.12 -0.47 -0.00 0.00 0.71 0.00 0.00 54.79 54.91 3mhg n ASP 18 Cb 0.50 -4.35 -0.00 0.00 -0.02 0.00 0.00 41.12 37.25 3mhg n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mhg n GLY 19 N -1.60 0.34 3.36 0.44 0.00 -1.26 -4.71 105.19 101.76 3mhg n GLY 19 Ca -0.03 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 3mhg n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mhg s VAL 20 N -1.68 2.94 -0.48 1.61 1.01 -0.29 -0.11 120.40 123.39 3mhg s VAL 20 Ca 0.00 -0.71 -0.21 0.00 0.00 0.00 0.00 61.98 61.06 3mhg s VAL 20 Cb 0.00 -2.22 0.04 0.00 0.00 0.00 0.00 36.38 34.20 3mhg s VAL 20 CO 0.00 0.53 0.72 -0.63 0.00 0.00 0.00 175.10 175.72 3mhg s ILE 21 N 0.32 4.73 -0.74 2.22 1.01 -0.39 -1.07 121.20 127.28 3mhg s ILE 21 Ca -0.11 0.00 0.04 0.00 0.00 0.00 0.00 60.65 60.58 3mhg s ILE 21 Cb -0.16 -4.32 0.26 0.00 0.01 0.00 0.00 42.46 38.26 3mhg s ILE 21 CO 0.06 -0.78 0.91 -1.54 0.00 0.00 0.00 174.94 173.59 3mhg n SER 22 N 6.54 4.34 -4.90 3.58 3.41 -1.26 -0.22 113.62 125.10 3mhg n SER 22 Ca -0.02 -3.44 -0.32 0.00 -0.26 0.00 0.00 58.87 54.83 3mhg n SER 22 Cb 0.47 -0.80 -0.05 0.00 -0.26 0.00 0.00 64.21 63.57 3mhg n SER 22 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mhg s ALA 23 N -2.54 3.90 -0.23 7.33 0.00 -0.75 -1.46 121.76 128.01 3mhg s ALA 23 Ca 0.38 -0.68 -0.13 0.00 0.00 0.00 0.00 51.96 51.53 3mhg s ALA 23 Cb 0.12 -1.99 -0.05 0.00 0.00 0.00 0.00 23.12 21.21 3mhg s ALA 23 CO 0.01 0.73 0.26 -1.17 0.00 0.00 0.00 175.76 175.59 3mhg s LEU 24 N -2.40 4.12 -0.25 0.00 2.96 -0.38 -1.81 118.68 120.92 3mhg s LEU 24 Ca 0.35 0.26 -0.10 0.00 -0.22 0.00 0.00 54.13 54.43 3mhg s LEU 24 Cb -0.13 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.25 3mhg s LEU 24 CO 0.24 -0.00 0.14 0.00 -1.32 0.00 0.00 176.35 175.41 3mhg s ALA 25 N 1.24 3.46 -0.38 5.97 0.00 -0.62 -0.47 121.76 130.95 3mhg s ALA 25 Ca 0.12 -1.00 0.12 0.00 0.00 0.00 0.00 51.96 51.20 3mhg s ALA 25 Cb -0.14 -2.29 0.39 0.00 0.00 0.00 0.00 23.12 21.08 3mhg s ALA 25 CO 0.06 -0.35 1.07 0.34 0.00 0.00 0.00 175.76 176.88 3mhg n PHE 26 N 4.64 -0.92 0.28 0.00 7.35 0.12 -4.04 117.46 124.89 3mhg n PHE 26 Ca -0.15 -2.59 0.12 0.00 -0.76 0.00 0.00 57.45 54.07 3mhg n PHE 26 Cb 0.52 0.61 0.22 0.00 0.35 0.00 0.00 39.48 41.18 3mhg n PHE 26 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 3mhg n ASP 27 N -0.09 3.50 -4.70 -2.13 5.75 -1.18 -4.21 116.55 113.48 3mhg n ASP 27 Ca 0.08 -1.99 -0.43 0.00 -0.01 0.00 0.00 54.79 52.43 3mhg n ASP 27 Cb 0.78 -0.26 -0.02 0.00 -1.03 0.00 0.00 41.12 40.59 3mhg n ASP 27 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3mhg n GLN 28 N 1.51 2.38 0.00 0.11 3.00 -1.26 -4.52 117.38 118.60 3mhg n GLN 28 Ca 0.19 0.85 0.00 0.00 -0.01 0.00 0.00 57.00 58.03 3mhg n GLN 28 Cb 0.61 -2.59 0.00 0.00 0.00 0.00 0.00 30.24 28.26 3mhg n GLN 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3mhg n ARG 29 N 2.42 0.00 -0.15 -1.09 1.74 -1.26 -4.58 116.66 113.74 3mhg n ARG 29 Ca 0.11 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.16 3mhg n ARG 29 Cb 0.34 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.83 3mhg n ARG 29 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3mhg h GLY 30 N 0.00 0.63 1.56 -0.13 0.00 -1.94 -1.02 103.07 102.17 3mhg h GLY 30 Ca 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 3mhg h GLY 30 CO 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 176.54 176.53 3mhg h ALA 31 N 1.32 1.33 -0.23 3.60 0.00 -1.98 -2.16 119.26 121.14 3mhg h ALA 31 Ca 0.23 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 3mhg h ALA 31 Cb 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3mhg h ALA 31 CO -0.24 0.46 -0.49 1.25 0.00 0.00 0.00 179.25 180.22 3mhg h LEU 32 N 0.52 0.69 -0.46 0.00 5.85 -1.64 -2.31 115.31 117.96 3mhg h LEU 32 Ca 0.11 -0.35 -0.09 0.00 0.84 0.00 0.00 57.88 58.39 3mhg h LEU 32 Cb 0.36 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3mhg h LEU 32 CO 0.01 1.06 -0.08 0.50 -0.34 0.00 0.00 178.44 179.59 3mhg h LYS 33 N 0.50 0.87 -0.44 1.25 3.64 -0.82 -1.38 116.57 120.17 3mhg h LYS 33 Ca 0.02 -0.32 -0.05 0.00 -1.27 0.00 0.00 60.65 59.04 3mhg h LYS 33 Cb 1.04 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 3mhg h LYS 33 CO 0.10 0.96 0.07 0.00 -2.27 0.00 0.00 179.45 178.31 3mhg h ARG 34 N 0.71 0.68 -0.12 1.90 3.08 -1.38 0.13 114.38 119.38 3mhg h ARG 34 Ca 0.12 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3mhg h ARG 34 Cb 0.62 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 3mhg h ARG 34 CO 0.04 0.65 0.05 0.52 -1.07 0.00 0.00 179.97 180.16 3mhg h MET 35 N 0.66 0.18 -0.38 0.04 2.86 -1.14 -2.96 114.93 114.19 3mhg h MET 35 Ca 0.14 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.71 3mhg h MET 35 Cb 0.30 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 3mhg h MET 35 CO 0.00 0.26 0.05 0.52 1.06 0.00 0.00 176.91 178.80 3mhg h MET 36 N 0.05 0.57 0.00 1.72 2.86 -0.92 -2.18 114.93 117.04 3mhg h MET 36 Ca 0.04 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3mhg h MET 36 Cb 0.15 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3mhg h MET 36 CO -0.00 0.56 0.00 0.00 1.06 0.00 0.00 176.91 178.53 3mhg h ALA 37 N 1.50 1.00 0.00 6.32 0.00 -0.82 -2.54 119.26 124.72 3mhg h ALA 37 Ca 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3mhg h ALA 37 Cb 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3mhg h ALA 37 CO 0.00 0.00 -0.18 1.96 0.00 0.00 0.00 179.25 181.03 3mhg h GLN 38 N 0.00 0.00 -0.06 0.00 1.08 -1.29 -3.32 115.11 111.52 3mhg h GLN 38 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3mhg h GLN 38 Cb 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 3mhg h GLN 38 CO 0.00 0.18 0.00 0.72 -0.95 0.00 0.00 178.83 178.78 3mhg n HIS 39 N -3.39 0.08 -3.63 2.96 8.25 -0.96 -5.02 115.22 113.51 3mhg n HIS 39 Ca -0.00 -0.49 -0.11 0.00 -0.26 0.00 0.00 57.72 56.85 3mhg n HIS 39 Cb 0.38 -0.05 -0.05 0.00 1.12 0.00 0.00 29.99 31.40 3mhg n HIS 39 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 3mhg s GLN 40 N -0.99 1.03 0.02 -0.41 -2.07 -1.24 -4.61 119.66 111.38 3mhg s GLN 40 Ca 0.04 -0.57 -0.17 0.00 -1.82 0.00 0.00 55.36 52.84 3mhg s GLN 40 Cb 0.02 0.46 -0.35 0.00 -1.09 0.00 0.00 33.01 32.05 3mhg s GLN 40 CO 0.03 -0.39 0.98 1.15 -1.32 0.00 0.00 175.29 175.74 3mhg h THR 41 N 2.56 1.33 -4.08 3.63 2.02 -1.94 -3.46 112.91 112.97 3mhg h THR 41 Ca -0.33 -2.66 -0.49 0.00 0.77 0.00 0.00 66.41 63.70 3mhg h THR 41 Cb 1.24 3.07 0.05 0.00 -1.74 0.00 0.00 68.15 70.77 3mhg h THR 41 CO 0.45 0.79 0.41 -1.59 0.37 0.00 0.00 175.52 175.95 3mhg s LYS 42 N -2.58 3.56 0.27 6.66 -2.85 -1.26 -4.98 119.74 118.56 3mhg s LYS 42 Ca -0.10 1.49 -0.30 0.00 -1.00 0.00 0.00 55.97 56.06 3mhg s LYS 42 Cb 0.03 -2.05 -0.11 0.00 -2.06 0.00 0.00 37.83 33.65 3mhg s LYS 42 CO 0.93 -0.65 1.49 -2.00 0.10 0.00 0.00 175.35 175.21 3mhg s GLU 43 N -3.28 4.22 0.29 1.78 2.12 -1.26 -4.91 118.70 117.67 3mhg s GLU 43 Ca 0.70 2.40 -0.30 0.00 0.36 0.00 0.00 54.97 58.13 3mhg s GLU 43 Cb -0.20 -3.07 -0.13 0.00 0.26 0.00 0.00 34.13 30.99 3mhg s GLU 43 CO 0.24 -0.48 1.38 -2.30 -0.54 0.00 0.00 175.26 173.56 3mhg n PRO 44 N 2.15 2.17 -3.56 4.30 -0.02 -1.26 -4.98 135.00 133.80 3mhg n PRO 44 Ca 0.07 0.77 -0.19 0.00 -2.02 0.00 0.00 63.50 62.12 3mhg n PRO 44 Cb 0.39 -2.41 -0.01 0.00 -0.02 0.00 0.00 33.50 31.46 3mhg n PRO 44 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3mhg s THR 45 N -0.53 4.28 0.22 3.45 -4.23 -1.26 -4.99 115.64 112.58 3mhg s THR 45 Ca 0.62 -1.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.04 3mhg s THR 45 Cb -0.59 -3.49 0.18 0.00 1.34 0.00 0.00 72.50 69.94 3mhg s THR 45 CO 0.55 -0.19 1.86 0.58 -0.54 0.00 0.00 174.62 176.89 3mhg h VAL 46 N 0.94 1.11 -0.33 2.29 2.07 -1.99 -1.72 116.25 118.63 3mhg h VAL 46 Ca -0.47 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 66.75 3mhg h VAL 46 Cb 1.25 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 3mhg h VAL 46 CO 0.54 0.18 0.16 -0.33 0.02 0.00 0.00 177.57 178.14 3mhg h GLU 47 N 0.97 0.32 -0.19 1.57 3.07 -1.98 0.12 114.58 118.45 3mhg h GLU 47 Ca 0.31 -0.02 0.02 0.00 -0.50 0.00 0.00 59.36 59.17 3mhg h GLU 47 Cb 0.02 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 3mhg h GLU 47 CO -0.12 0.21 0.07 1.96 -1.40 0.00 0.00 179.01 179.74 3mhg h GLN 48 N 0.33 0.16 0.07 2.33 4.20 -1.85 0.79 115.11 121.14 3mhg h GLN 48 Ca 0.14 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 3mhg h GLN 48 Cb 0.06 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3mhg h GLN 48 CO -0.10 0.10 -0.04 0.82 -0.67 0.00 0.00 178.83 178.95 3mhg h ILE 49 N 0.16 0.94 -0.86 2.54 2.04 -1.05 -1.70 117.51 119.58 3mhg h ILE 49 Ca 0.08 -0.04 0.05 0.00 1.00 0.00 0.00 64.86 65.96 3mhg h ILE 49 Cb 0.05 0.97 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 3mhg h ILE 49 CO -0.09 0.01 0.54 -0.33 0.00 0.00 0.00 178.15 178.29 3mhg h GLU 50 N -0.12 0.98 -0.12 2.37 5.08 -0.60 -2.60 114.58 119.58 3mhg h GLU 50 Ca -0.01 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 3mhg h GLU 50 Cb 0.09 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 3mhg h GLU 50 CO 0.02 0.65 -0.01 1.49 -1.00 0.00 0.00 179.01 180.15 3mhg h GLU 51 N 1.01 0.22 -0.78 2.33 4.81 -0.55 -1.78 114.58 119.84 3mhg h GLU 51 Ca 0.37 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 3mhg h GLU 51 Cb 0.12 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 3mhg h GLU 51 CO -0.16 0.48 0.42 1.25 -0.73 0.00 0.00 179.01 180.28 3mhg h LEU 52 N -0.07 0.97 -0.79 1.64 5.85 -1.26 0.11 115.31 121.75 3mhg h LEU 52 Ca 0.03 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3mhg h LEU 52 Cb 0.39 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 3mhg h LEU 52 CO 0.01 0.78 0.47 0.11 -0.34 0.00 0.00 178.44 179.47 3mhg h LYS 53 N 1.09 1.09 -0.50 1.25 1.57 -1.33 -1.02 116.57 118.71 3mhg h LYS 53 Ca 0.27 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.84 3mhg h LYS 53 Cb 0.03 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 3mhg h LYS 53 CO -0.04 0.78 -0.11 0.77 -0.57 0.00 0.00 179.45 180.27 3mhg h SER 54 N 1.09 0.93 0.29 0.86 0.02 -0.36 -1.30 113.55 115.09 3mhg h SER 54 Ca 0.28 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 3mhg h SER 54 Cb -0.02 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.27 3mhg h SER 54 CO -0.05 1.05 -0.14 -0.07 -1.14 0.00 0.00 176.83 176.48 3mhg h LEU 55 N 0.83 -0.33 -0.78 5.07 3.38 -0.44 -0.05 115.31 122.99 3mhg h LEU 55 Ca 0.13 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.11 3mhg h LEU 55 Cb 0.65 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 3mhg h LEU 55 CO 0.05 -0.16 0.47 0.58 0.09 0.00 0.00 178.44 179.46 3mhg h VAL 56 N -0.48 1.01 0.66 1.22 2.07 -1.18 -1.44 116.25 118.10 3mhg h VAL 56 Ca -0.04 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 3mhg h VAL 56 Cb 0.36 0.08 0.01 0.00 -1.52 0.00 0.00 31.29 30.22 3mhg h VAL 56 CO 0.07 0.16 -0.32 -1.28 0.02 0.00 0.00 177.57 176.21 3mhg h SER 57 N 0.85 -0.75 -0.67 0.57 0.87 -1.04 -1.59 113.55 111.80 3mhg h SER 57 Ca 0.35 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.91 3mhg h SER 57 Cb 0.18 0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.31 3mhg h SER 57 CO -0.18 -0.51 0.40 -0.08 -0.53 0.00 0.00 176.83 175.93 3mhg h GLU 58 N -0.93 0.91 0.02 2.24 4.81 -0.81 -2.05 114.58 118.77 3mhg h GLU 58 Ca -0.09 -0.08 -0.22 0.00 -0.13 0.00 0.00 59.36 58.83 3mhg h GLU 58 Cb 0.70 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 3mhg h GLU 58 CO 0.15 0.65 -1.04 0.93 -0.73 0.00 0.00 179.01 178.97 3mhg h GLU 59 N 0.91 0.04 0.00 1.92 4.39 -1.29 -3.39 114.58 117.16 3mhg h GLU 59 Ca 0.24 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.81 3mhg h GLU 59 Cb -0.02 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 3mhg h GLU 59 CO -0.04 1.03 -1.74 1.28 -1.16 0.00 0.00 179.01 178.37 3mhg n LEU 60 N -3.38 0.00 0.30 1.33 4.77 -0.60 -4.55 117.00 114.87 3mhg n LEU 60 Ca -0.01 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.15 3mhg n LEU 60 Cb 0.95 0.08 0.88 0.00 -2.33 0.00 0.00 43.42 43.00 3mhg n LEU 60 CO 0.48 0.08 1.05 0.71 -1.33 0.00 0.00 177.39 178.38 3mhg h THR 61 N 0.00 0.14 0.00 -5.08 1.35 -1.51 -0.42 112.91 107.40 3mhg h THR 61 Ca -0.08 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 3mhg h THR 61 Cb 0.95 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 3mhg h THR 61 CO 0.00 0.03 0.00 -2.65 -0.25 0.00 0.00 175.52 172.66 3mhg n PRO 62 N -3.22 0.04 -0.08 4.72 -0.02 -1.26 -1.97 135.00 133.22 3mhg n PRO 62 Ca -0.01 0.48 0.02 0.00 -2.02 0.00 0.00 63.50 61.98 3mhg n PRO 62 Cb 0.21 -1.62 0.07 0.00 -0.02 0.00 0.00 33.50 32.14 3mhg n PRO 62 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3mhg n PHE 63 N -1.71 0.20 -4.41 6.00 3.72 -0.17 -5.00 117.46 116.09 3mhg n PHE 63 Ca 0.00 -0.51 -0.24 0.00 -0.05 0.00 0.00 57.45 56.65 3mhg n PHE 63 Cb 0.05 -0.05 -0.13 0.00 -0.94 0.00 0.00 39.48 38.41 3mhg n PHE 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3mhg s ALA 64 N -1.06 1.76 -0.04 4.37 0.00 -0.83 -4.96 121.76 121.01 3mhg s ALA 64 Ca 0.10 -1.17 0.30 0.00 0.00 0.00 0.00 51.96 51.19 3mhg s ALA 64 Cb 0.06 -0.28 1.04 0.00 0.00 0.00 0.00 23.12 23.94 3mhg s ALA 64 CO 0.06 0.37 1.86 0.66 0.00 0.00 0.00 175.76 178.71 3mhg h SER 65 N 4.37 0.00 -5.31 0.00 4.64 -1.53 -3.41 113.55 112.31 3mhg h SER 65 Ca -0.45 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.11 3mhg h SER 65 Cb 1.17 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.15 3mhg h SER 65 CO 0.41 0.03 0.65 -0.94 -0.87 0.00 0.00 176.83 176.12 3mhg s SER 66 N -5.89 -0.15 -0.02 4.97 1.04 -1.26 -1.69 113.70 110.71 3mhg s SER 66 Ca 0.03 -0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.26 3mhg s SER 66 Cb 0.08 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.52 3mhg s SER 66 CO 0.59 -0.57 -0.07 -0.51 0.98 0.00 0.00 173.24 173.66 3mhg s ILE 67 N -2.85 0.62 -0.25 -1.02 2.07 -0.33 -1.25 121.20 118.19 3mhg s ILE 67 Ca 0.12 -0.28 -0.14 0.00 -1.41 0.00 0.00 60.65 58.94 3mhg s ILE 67 Cb 0.01 -0.56 -0.04 0.00 0.13 0.00 0.00 42.46 42.00 3mhg s ILE 67 CO -0.02 0.20 0.33 -0.22 -1.91 0.00 0.00 174.94 173.32 3mhg s LEU 68 N 0.21 4.07 0.19 8.50 2.96 0.38 -1.18 118.68 133.80 3mhg s LEU 68 Ca -0.03 0.27 0.07 0.00 -0.22 0.00 0.00 54.13 54.23 3mhg s LEU 68 Cb -0.07 -2.37 -0.05 0.00 0.50 0.00 0.00 46.19 44.20 3mhg s LEU 68 CO 0.00 -0.12 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.01 3mhg s LEU 69 N 1.77 2.55 0.24 -0.68 1.43 -0.50 -0.70 118.68 122.78 3mhg s LEU 69 Ca 0.14 -1.01 -0.10 0.00 -1.03 0.00 0.00 54.13 52.13 3mhg s LEU 69 Cb -0.15 -0.64 -0.07 0.00 0.03 0.00 0.00 46.19 45.35 3mhg s LEU 69 CO 0.09 -0.18 0.57 1.51 0.23 0.00 0.00 176.35 178.57 3mhg s ASP 70 N -3.25 6.65 0.21 2.29 -4.77 -1.26 -1.01 116.67 115.53 3mhg s ASP 70 Ca 0.21 0.97 0.26 0.00 -3.30 0.00 0.00 52.55 50.69 3mhg s ASP 70 Cb -0.01 -2.25 0.81 0.00 -1.09 0.00 0.00 42.92 40.39 3mhg s ASP 70 CO 0.06 -0.09 1.78 -2.65 0.70 0.00 0.00 175.17 174.97 3mhg n PRO 71 N -0.17 0.26 -0.07 2.11 -0.02 -1.26 -1.05 135.00 134.81 3mhg n PRO 71 Ca 0.01 0.22 -0.14 0.00 -2.02 0.00 0.00 63.50 61.56 3mhg n PRO 71 Cb 0.52 -1.81 -0.05 0.00 -0.02 0.00 0.00 33.50 32.14 3mhg n PRO 71 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3mhg h GLU 72 N 0.00 0.69 0.00 -0.52 5.08 -1.94 -3.39 114.58 114.51 3mhg h GLU 72 Ca 0.00 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3mhg h GLU 72 Cb 0.74 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.03 3mhg h GLU 72 CO 0.00 1.05 -0.24 0.66 -1.00 0.00 0.00 179.01 179.48 3mhg n TYR 73 N -4.20 0.00 0.45 4.33 4.02 -1.25 -4.86 117.16 115.66 3mhg n TYR 73 Ca -0.05 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.96 3mhg n TYR 73 Cb 0.54 0.00 0.21 0.00 -0.02 0.00 0.00 39.34 40.07 3mhg n TYR 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3mhg n GLY 74 N 1.14 1.57 0.21 2.72 0.00 -0.21 -4.45 105.19 106.17 3mhg n GLY 74 Ca 0.00 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 3mhg n GLY 74 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mhg h LEU 75 N 4.46 0.64 -0.81 0.99 3.38 -1.77 -0.14 115.31 122.06 3mhg h LEU 75 Ca 0.00 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.71 3mhg h LEU 75 Cb 0.98 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 3mhg h LEU 75 CO 0.00 0.75 0.53 -0.65 0.09 0.00 0.00 178.44 179.16 3mhg h PRO 76 N 0.50 1.05 -0.98 1.13 0.11 -1.95 -1.65 132.00 130.21 3mhg h PRO 76 Ca 0.12 -0.06 0.05 0.00 0.11 0.00 0.00 66.00 66.22 3mhg h PRO 76 Cb 0.40 -0.24 -0.06 0.00 0.11 0.00 0.00 31.00 31.21 3mhg h PRO 76 CO 0.01 0.69 0.64 0.00 -0.21 0.00 0.00 178.00 179.13 3mhg h ALA 77 N 1.30 1.34 0.00 -0.75 0.00 -1.74 -2.11 119.26 117.30 3mhg h ALA 77 Ca 0.30 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3mhg h ALA 77 Cb -0.10 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.37 3mhg h ALA 77 CO -0.07 0.46 -0.14 0.66 0.00 0.00 0.00 179.25 180.16 3mhg h SER 78 N 1.18 0.00 1.73 0.00 4.64 -0.07 -2.42 113.55 118.61 3mhg h SER 78 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 3mhg h SER 78 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3mhg h SER 78 CO -0.16 0.14 0.00 0.03 -0.87 0.00 0.00 176.83 175.97 3mhg h ARG 79 N 0.00 0.00 -0.53 4.77 3.08 -1.03 -3.16 114.38 117.52 3mhg h ARG 79 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mhg h ARG 79 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3mhg h ARG 79 CO 0.02 0.00 0.00 1.33 -1.07 0.00 0.00 179.97 180.25 3mhg n VAL 80 N -2.69 1.72 -2.19 2.04 0.24 -0.92 -4.99 118.33 111.54 3mhg n VAL 80 Ca 0.05 -1.27 -0.34 0.00 -2.04 0.00 0.00 64.34 60.75 3mhg n VAL 80 Cb 0.48 0.15 0.00 0.00 -1.47 0.00 0.00 33.84 33.00 3mhg n VAL 80 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3mhg s ARG 81 N -1.81 3.40 0.34 7.34 1.70 -1.18 -4.08 118.95 124.66 3mhg s ARG 81 Ca 0.44 1.35 -0.26 0.00 -0.47 0.00 0.00 55.73 56.79 3mhg s ARG 81 Cb 0.29 -2.03 -0.13 0.00 -0.57 0.00 0.00 34.95 32.51 3mhg s ARG 81 CO 0.21 -0.76 0.96 0.45 -1.08 0.00 0.00 175.30 175.07 3mhg n SER 82 N -1.64 1.04 0.00 -2.89 2.88 -1.26 -4.84 113.62 106.91 3mhg n SER 82 Ca 0.10 1.10 0.06 0.00 -1.33 0.00 0.00 58.87 58.81 3mhg n SER 82 Cb 0.52 -1.29 0.30 0.00 -0.75 0.00 0.00 64.21 62.99 3mhg n SER 82 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3mhg n GLU 83 N 0.53 0.05 0.00 -1.46 1.02 -1.26 -1.49 120.64 118.02 3mhg n GLU 83 Ca 0.10 0.24 0.12 0.00 -0.02 0.00 0.00 57.16 57.60 3mhg n GLU 83 Cb 0.35 -1.50 0.09 0.00 -0.02 0.00 0.00 31.44 30.36 3mhg n GLU 83 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3mhg n GLU 84 N -1.44 1.86 -4.00 3.49 -0.58 -1.26 -4.92 120.64 113.78 3mhg n GLU 84 Ca 0.04 -1.51 -0.35 0.00 -0.42 0.00 0.00 57.16 54.92 3mhg n GLU 84 Cb 0.14 -1.47 -0.10 0.00 -0.57 0.00 0.00 31.44 29.45 3mhg n GLU 84 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3mhg s ALA 85 N -2.19 3.42 0.95 0.62 0.00 -0.56 -4.82 121.76 119.19 3mhg s ALA 85 Ca 0.25 -0.74 -0.14 0.00 0.00 0.00 0.00 51.96 51.33 3mhg s ALA 85 Cb 0.19 -1.92 0.17 0.00 0.00 0.00 0.00 23.12 21.56 3mhg s ALA 85 CO 0.41 0.19 1.18 0.20 0.00 0.00 0.00 175.76 177.74 3mhg s GLY 86 N 0.32 1.62 -0.06 0.00 0.00 -0.68 -4.83 107.32 103.70 3mhg s GLY 86 Ca 0.03 -0.75 0.02 0.00 0.00 0.00 0.00 44.72 44.03 3mhg s GLY 86 CO 0.00 -0.11 -0.11 -2.27 0.00 0.00 0.00 173.10 170.62 3mhg s LEU 87 N -6.08 1.59 0.01 0.66 2.96 -1.26 -1.19 118.68 115.37 3mhg s LEU 87 Ca 0.67 -0.26 0.04 0.00 -0.22 0.00 0.00 54.13 54.36 3mhg s LEU 87 Cb -0.11 -0.74 -0.03 0.00 0.50 0.00 0.00 46.19 45.81 3mhg s LEU 87 CO 0.53 0.02 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.72 3mhg s LEU 88 N 0.69 2.99 -0.05 -0.68 1.02 -0.32 0.45 118.68 122.78 3mhg s LEU 88 Ca -0.14 -0.22 0.06 0.00 0.02 0.00 0.00 54.13 53.85 3mhg s LEU 88 Cb -0.15 -1.72 -0.01 0.00 0.02 0.00 0.00 46.19 44.32 3mhg s LEU 88 CO 0.03 0.28 -0.25 -0.76 0.02 0.00 0.00 176.35 175.67 3mhg s LEU 89 N -1.39 2.10 0.43 1.79 1.43 -0.95 -1.41 118.68 120.67 3mhg s LEU 89 Ca 0.16 -0.49 -0.23 0.00 -1.03 0.00 0.00 54.13 52.55 3mhg s LEU 89 Cb -0.11 -1.38 -0.09 0.00 0.03 0.00 0.00 46.19 44.65 3mhg s LEU 89 CO 0.07 0.26 1.05 0.00 0.23 0.00 0.00 176.35 177.95 3mhg s ALA 90 N -0.26 3.01 -0.01 4.21 0.00 -0.18 -1.20 121.76 127.33 3mhg s ALA 90 Ca -0.01 0.67 0.04 0.00 0.00 0.00 0.00 51.96 52.66 3mhg s ALA 90 Cb -0.13 -3.26 -0.06 0.00 0.00 0.00 0.00 23.12 19.67 3mhg s ALA 90 CO 0.03 -0.25 0.07 0.98 0.00 0.00 0.00 175.76 176.59 3mhg n TYR 91 N -0.40 0.00 -2.93 0.00 9.36 0.55 -4.33 117.16 119.40 3mhg n TYR 91 Ca 0.07 0.00 -0.31 0.00 3.32 0.00 0.00 57.90 60.98 3mhg n TYR 91 Cb 0.51 -0.10 -0.04 0.00 -0.63 0.00 0.00 39.34 39.08 3mhg n TYR 91 CO 0.00 0.00 0.00 -1.83 0.22 0.00 0.00 176.86 175.25 3mhg s GLU 92 N -2.23 3.85 0.59 2.98 1.03 -1.26 -0.47 118.70 123.19 3mhg s GLU 92 Ca -0.01 0.54 -0.18 0.00 0.03 0.00 0.00 54.97 55.34 3mhg s GLU 92 Cb 0.02 -2.40 -0.03 0.00 -0.80 0.00 0.00 34.13 30.92 3mhg s GLU 92 CO 0.15 0.02 1.14 0.15 -1.33 0.00 0.00 175.26 175.38 3mhg s LYS 93 N -3.60 3.10 0.43 -4.83 1.02 -0.01 -4.58 119.74 111.28 3mhg s LYS 93 Ca 0.52 1.58 -0.23 0.00 0.02 0.00 0.00 55.97 57.85 3mhg s LYS 93 Cb -0.10 -1.97 -0.08 0.00 -0.52 0.00 0.00 37.83 35.15 3mhg s LYS 93 CO 0.27 -1.05 1.12 -0.08 -0.92 0.00 0.00 175.35 174.70 3mhg s THR 94 N -1.93 3.34 0.00 2.17 -1.32 -1.26 -4.91 115.64 111.73 3mhg s THR 94 Ca 0.72 1.02 0.00 0.00 -1.21 0.00 0.00 61.69 62.21 3mhg s THR 94 Cb -0.24 -3.52 0.00 0.00 -1.51 0.00 0.00 72.50 67.23 3mhg s THR 94 CO 0.33 -0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.34 3mhg n GLY 95 N 0.41 0.31 3.74 6.08 0.00 -1.26 -4.98 105.19 109.48 3mhg n GLY 95 Ca 0.06 -0.94 -0.08 0.00 0.00 0.00 0.00 46.02 45.07 3mhg n GLY 95 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3mhg s TYR 96 N 0.00 -0.27 -0.52 1.61 -0.85 -1.26 -5.07 117.35 110.99 3mhg s TYR 96 Ca 0.00 -0.11 -0.23 0.00 -0.52 0.00 0.00 57.07 56.20 3mhg s TYR 96 Cb 0.00 0.67 0.04 0.00 0.38 0.00 0.00 41.96 43.05 3mhg s TYR 96 CO 0.00 -1.11 0.87 0.34 -1.52 0.00 0.00 175.55 174.13 3mhg s ASP 97 N -2.87 6.35 0.00 -0.18 2.15 -1.26 -4.89 116.67 115.97 3mhg s ASP 97 Ca 0.09 -0.33 0.23 0.00 0.43 0.00 0.00 52.55 52.97 3mhg s ASP 97 Cb -0.04 -2.41 1.08 0.00 -0.30 0.00 0.00 42.92 41.25 3mhg s ASP 97 CO 0.02 -1.11 1.74 0.00 -0.17 0.00 0.00 175.17 175.65 3mhg n ALA 98 N 7.13 2.12 0.10 3.66 0.00 -1.26 -2.91 120.51 129.35 3mhg n ALA 98 Ca 0.01 -0.10 -0.05 0.00 0.00 0.00 0.00 53.44 53.31 3mhg n ALA 98 Cb 0.47 -1.37 0.07 0.00 0.00 0.00 0.00 19.45 18.62 3mhg n ALA 98 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3mhg h THR 99 N 0.00 1.50 -1.96 0.00 2.02 -2.07 -3.45 112.91 108.95 3mhg h THR 99 Ca 0.00 -2.46 -0.59 0.00 0.77 0.00 0.00 66.41 64.13 3mhg h THR 99 Cb 0.28 2.33 -0.12 0.00 -1.74 0.00 0.00 68.15 68.91 3mhg h THR 99 CO 0.00 0.71 -0.64 0.28 0.37 0.00 0.00 175.52 176.24 3mhg s THR 100 N -3.37 2.57 -2.28 3.16 -1.32 -1.14 -5.06 115.64 108.21 3mhg s THR 100 Ca -0.02 -2.05 0.24 0.00 -1.21 0.00 0.00 61.69 58.65 3mhg s THR 100 Cb 0.11 -2.73 0.14 0.00 -1.51 0.00 0.00 72.50 68.52 3mhg s THR 100 CO 0.79 -0.22 1.28 0.35 -2.21 0.00 0.00 174.62 174.60 3mhg n THR 101 N -0.89 0.00 0.09 5.08 -2.24 -1.26 -4.46 114.28 110.59 3mhg n THR 101 Ca -0.05 -0.30 -0.01 0.00 -2.27 0.00 0.00 64.05 61.42 3mhg n THR 101 Cb 0.62 1.10 -0.04 0.00 -2.10 0.00 0.00 70.33 69.91 3mhg n THR 101 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3mhg h SER 102 N 2.80 0.00 -7.00 3.42 4.64 -1.97 -3.45 113.55 111.99 3mhg h SER 102 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 3mhg h SER 102 Cb 0.75 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.80 3mhg h SER 102 CO 0.00 0.69 -0.86 0.54 -0.87 0.00 0.00 176.83 176.33 3mhg n ARG 103 N -3.20 -0.43 -2.43 4.77 1.74 -1.26 -4.86 116.66 110.99 3mhg n ARG 103 Ca -0.01 -0.02 -0.40 0.00 -0.77 0.00 0.00 57.85 56.64 3mhg n ARG 103 Cb 0.83 -2.10 -0.04 0.00 -1.02 0.00 0.00 32.46 30.13 3mhg n ARG 103 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3mhg s LEU 104 N -7.07 4.53 0.46 0.55 1.43 -1.26 -4.56 118.68 112.76 3mhg s LEU 104 Ca 0.35 2.32 -0.22 0.00 -1.03 0.00 0.00 54.13 55.54 3mhg s LEU 104 Cb -0.20 -3.63 -0.08 0.00 0.03 0.00 0.00 46.19 42.32 3mhg s LEU 104 CO 0.83 -0.20 1.10 -2.16 0.23 0.00 0.00 176.35 176.15 3mhg s PRO 105 N -1.41 3.83 -0.21 1.29 0.04 -1.26 -5.02 135.00 132.25 3mhg s PRO 105 Ca 0.45 1.57 -0.04 0.00 0.04 0.00 0.00 61.00 63.03 3mhg s PRO 105 Cb -0.33 -2.31 0.11 0.00 0.04 0.00 0.00 34.50 32.01 3mhg s PRO 105 CO 0.42 -0.45 0.34 0.34 0.04 0.00 0.00 177.00 177.70 3mhg s ASP 106 N -1.63 0.34 0.55 6.66 2.15 -1.26 -5.10 116.67 118.39 3mhg s ASP 106 Ca 0.64 0.35 -0.20 0.00 0.43 0.00 0.00 52.55 53.77 3mhg s ASP 106 Cb -0.23 0.99 -0.05 0.00 -0.30 0.00 0.00 42.92 43.33 3mhg s ASP 106 CO 0.28 -0.28 1.24 0.00 -0.17 0.00 0.00 175.17 176.24 3mhg n LEU 108 N -1.21 2.49 -0.23 0.00 4.77 0.38 -4.63 117.00 118.58 3mhg n LEU 108 Ca 0.11 1.15 0.01 0.00 -0.03 0.00 0.00 56.01 57.25 3mhg n LEU 108 Cb 0.48 -1.35 0.25 0.00 -2.33 0.00 0.00 43.42 40.47 3mhg n LEU 108 CO 0.47 -0.82 1.24 0.44 -1.33 0.00 0.00 177.39 177.39 3mhg h ASP 109 N 3.75 0.87 -0.59 -1.43 3.32 -1.92 -2.69 116.42 117.74 3mhg h ASP 109 Ca -0.44 -0.02 -0.23 0.00 0.02 0.00 0.00 57.03 56.35 3mhg h ASP 109 Cb 1.30 -0.21 -0.14 0.00 0.22 0.00 0.00 39.33 40.50 3mhg h ASP 109 CO 0.73 0.62 0.19 1.33 -1.72 0.00 0.00 179.24 180.39 3mhg n VAL 110 N -4.43 2.76 -4.41 -1.35 0.24 -1.26 -4.98 118.33 104.91 3mhg n VAL 110 Ca 0.09 -2.12 -0.21 0.00 -2.04 0.00 0.00 64.34 60.06 3mhg n VAL 110 Cb 0.05 -0.35 -0.10 0.00 -1.47 0.00 0.00 33.84 31.97 3mhg n VAL 110 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 3mhg s TRP 111 N -3.12 1.99 0.20 6.34 0.52 -1.01 -5.05 118.94 118.81 3mhg s TRP 111 Ca 0.50 -0.46 -0.15 0.00 0.02 0.00 0.00 56.10 56.01 3mhg s TRP 111 Cb 0.42 -0.89 0.01 0.00 -1.15 0.00 0.00 33.47 31.87 3mhg s TRP 111 CO 0.08 0.53 0.48 -1.54 0.02 0.00 0.00 176.95 176.52 3mhg s SER 112 N -3.41 -0.17 0.29 2.95 1.04 -1.26 -4.84 113.70 108.30 3mhg s SER 112 Ca 0.26 -0.64 0.01 0.00 0.48 0.00 0.00 55.95 56.06 3mhg s SER 112 Cb -0.03 0.56 0.53 0.00 0.10 0.00 0.00 66.02 67.18 3mhg s SER 112 CO 0.11 -1.05 1.88 0.00 0.98 0.00 0.00 173.24 175.16 3mhg h ALA 113 N 2.27 1.51 -0.37 5.32 0.00 -1.96 -0.99 119.26 125.04 3mhg h ALA 113 Ca -0.28 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.63 3mhg h ALA 113 Cb 1.25 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3mhg h ALA 113 CO 0.38 0.31 0.21 -0.22 0.00 0.00 0.00 179.25 179.94 3mhg h LYS 114 N 1.03 0.41 -0.25 0.00 3.64 -1.96 -1.16 116.57 118.28 3mhg h LYS 114 Ca 0.43 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.69 3mhg h LYS 114 Cb 0.30 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3mhg h LYS 114 CO -0.18 0.27 -0.26 0.00 -2.27 0.00 0.00 179.45 177.01 3mhg h ARG 115 N 0.43 0.48 -0.43 1.90 3.08 -1.77 -0.07 114.38 118.00 3mhg h ARG 115 Ca 0.15 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3mhg h ARG 115 Cb 0.02 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3mhg h ARG 115 CO -0.08 0.71 0.18 0.82 -1.07 0.00 0.00 179.97 180.53 3mhg h ILE 116 N 0.43 1.20 -0.74 2.04 2.04 -0.88 0.20 117.51 121.79 3mhg h ILE 116 Ca 0.06 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.29 3mhg h ILE 116 Cb 0.68 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 3mhg h ILE 116 CO 0.05 0.22 0.31 0.50 0.00 0.00 0.00 178.15 179.23 3mhg h LYS 117 N 0.55 1.11 0.00 2.37 3.64 -0.94 -2.54 116.57 120.75 3mhg h LYS 117 Ca 0.15 -0.19 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 3mhg h LYS 117 Cb 0.17 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3mhg h LYS 117 CO -0.01 0.90 -0.20 0.93 -2.27 0.00 0.00 179.45 178.79 3mhg h GLU 118 N 1.07 0.00 0.00 1.90 5.08 -0.60 -2.07 114.58 119.96 3mhg h GLU 118 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3mhg h GLU 118 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3mhg h GLU 118 CO -0.02 0.20 0.00 0.00 -1.00 0.00 0.00 179.01 178.19 3mhg n ALA 119 N -2.32 2.64 0.00 3.43 0.00 0.02 -4.88 120.51 119.40 3mhg n ALA 119 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3mhg n ALA 119 Cb 0.32 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.27 3mhg n ALA 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mhg n GLY 120 N 0.94 0.91 3.79 0.00 0.00 -0.78 -5.08 105.19 104.98 3mhg n GLY 120 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 3mhg n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mhg s ALA 121 N -2.00 2.93 -1.89 4.61 0.00 -1.06 -4.78 121.76 119.57 3mhg s ALA 121 Ca 0.00 0.64 0.24 0.00 0.00 0.00 0.00 51.96 52.84 3mhg s ALA 121 Cb 0.00 -3.26 0.30 0.00 0.00 0.00 0.00 23.12 20.16 3mhg s ALA 121 CO 0.00 -0.30 1.28 0.39 0.00 0.00 0.00 175.76 177.13 3mhg n GLU 122 N -0.73 1.02 -3.59 0.00 4.71 0.17 -4.68 120.64 117.55 3mhg n GLU 122 Ca 0.08 -0.76 -0.16 0.00 -0.01 0.00 0.00 57.16 56.31 3mhg n GLU 122 Cb 0.52 -1.48 -0.07 0.00 -1.01 0.00 0.00 31.44 29.39 3mhg n GLU 122 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3mhg s ALA 123 N -2.51 -1.61 -0.22 0.62 0.00 -1.17 -4.05 121.76 112.83 3mhg s ALA 123 Ca 0.20 1.35 -0.15 0.00 0.00 0.00 0.00 51.96 53.37 3mhg s ALA 123 Cb 0.18 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 3mhg s ALA 123 CO 0.56 -0.34 0.34 0.08 0.00 0.00 0.00 175.76 176.40 3mhg s VAL 124 N -0.77 5.23 -0.10 0.00 1.01 -0.47 -2.25 120.40 123.06 3mhg s VAL 124 Ca -0.08 0.57 -0.01 0.00 0.00 0.00 0.00 61.98 62.46 3mhg s VAL 124 Cb -0.02 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 3mhg s VAL 124 CO 0.07 0.26 -0.05 -0.75 0.00 0.00 0.00 175.10 174.63 3mhg s LYS 125 N 1.37 3.10 -0.02 2.72 2.36 -0.34 -0.49 119.74 128.45 3mhg s LYS 125 Ca 0.16 -0.51 0.01 0.00 -2.55 0.00 0.00 55.97 53.07 3mhg s LYS 125 Cb -0.15 -2.73 0.01 0.00 -1.05 0.00 0.00 37.83 33.91 3mhg s LYS 125 CO 0.07 0.53 -0.02 0.12 1.55 0.00 0.00 175.35 177.60 3mhg s PHE 126 N -0.42 0.40 -0.23 4.03 2.19 -0.48 -0.33 117.98 123.14 3mhg s PHE 126 Ca 0.07 -0.06 -0.10 0.00 0.33 0.00 0.00 56.93 57.17 3mhg s PHE 126 Cb -0.12 -0.38 -0.05 0.00 -1.31 0.00 0.00 43.02 41.16 3mhg s PHE 126 CO 0.02 -0.09 0.14 -1.17 1.83 0.00 0.00 175.22 175.95 3mhg s LEU 127 N 0.54 3.98 -0.13 6.12 2.96 -1.26 -0.40 118.68 130.49 3mhg s LEU 127 Ca -0.06 0.06 0.03 0.00 -0.22 0.00 0.00 54.13 53.94 3mhg s LEU 127 Cb -0.09 -2.06 0.01 0.00 0.50 0.00 0.00 46.19 44.55 3mhg s LEU 127 CO -0.01 0.06 -0.21 -0.22 -1.32 0.00 0.00 176.35 174.65 3mhg s LEU 128 N 1.06 2.06 0.07 -0.68 2.96 -0.09 -4.91 118.68 119.15 3mhg s LEU 128 Ca 0.07 -0.58 -0.26 0.00 -0.22 0.00 0.00 54.13 53.14 3mhg s LEU 128 Cb -0.14 -1.40 -0.06 0.00 0.50 0.00 0.00 46.19 45.10 3mhg s LEU 128 CO 0.04 0.08 0.81 -0.31 -1.32 0.00 0.00 176.35 175.65 3mhg s TYR 129 N 0.78 3.77 -0.10 5.38 1.51 -1.26 -1.53 117.35 125.90 3mhg s TYR 129 Ca -0.08 1.56 -0.05 0.00 -1.01 0.00 0.00 57.07 57.49 3mhg s TYR 129 Cb -0.16 -2.86 0.05 0.00 -0.11 0.00 0.00 41.96 38.88 3mhg s TYR 129 CO -0.01 0.28 0.22 -0.47 -1.11 0.00 0.00 175.55 174.47 3mhg s TYR 130 N -0.15 -0.30 -0.36 2.71 5.04 -0.36 -4.95 117.35 118.99 3mhg s TYR 130 Ca 0.40 0.75 -0.01 0.00 -2.44 0.00 0.00 57.07 55.77 3mhg s TYR 130 Cb -0.21 -0.02 0.09 0.00 0.35 0.00 0.00 41.96 42.16 3mhg s TYR 130 CO 0.25 -0.25 0.10 0.34 -1.34 0.00 0.00 175.55 174.65 3mhg s ASP 131 N 1.56 5.02 0.55 4.32 2.15 -1.26 -2.95 116.67 126.06 3mhg s ASP 131 Ca -0.06 -1.82 0.28 0.00 0.43 0.00 0.00 52.55 51.38 3mhg s ASP 131 Cb -0.11 -1.74 1.46 0.00 -0.30 0.00 0.00 42.92 42.22 3mhg s ASP 131 CO -0.08 -0.41 1.95 -0.29 -0.17 0.00 0.00 175.17 176.17 3mhg h ILE 132 N 6.46 0.58 -0.34 4.11 6.09 -1.84 0.77 117.51 133.34 3mhg h ILE 132 Ca -0.14 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.35 3mhg h ILE 132 Cb 1.05 0.67 0.00 0.00 0.47 0.00 0.00 36.82 39.00 3mhg h ILE 132 CO 0.60 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 176.15 3mhg n ASP 133 N -4.15 2.86 -2.32 2.19 8.00 -1.26 -4.98 116.55 116.89 3mhg n ASP 133 Ca 0.11 -1.91 -0.04 0.00 0.71 0.00 0.00 54.79 53.66 3mhg n ASP 133 Cb 0.69 -0.22 0.03 0.00 -0.02 0.00 0.00 41.12 41.60 3mhg n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mhg n GLY 134 N 1.38 -1.38 3.67 0.44 0.00 0.26 -4.94 105.19 104.62 3mhg n GLY 134 Ca 0.18 -1.64 -0.48 0.00 0.00 0.00 0.00 46.02 44.08 3mhg n GLY 134 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3mhg n ASP 135 N -3.14 3.05 -0.05 1.61 -0.08 -1.26 -4.87 116.55 111.81 3mhg n ASP 135 Ca 0.02 1.05 0.00 0.00 -1.51 0.00 0.00 54.79 54.36 3mhg n ASP 135 Cb 0.08 -1.38 0.30 0.00 2.34 0.00 0.00 41.12 42.46 3mhg n ASP 135 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 3mhg h GLN 136 N 6.80 0.64 -0.24 -0.67 4.20 -1.97 -1.67 115.11 122.20 3mhg h GLN 136 Ca -0.46 -0.10 -0.15 0.00 0.06 0.00 0.00 58.65 58.00 3mhg h GLN 136 Cb 1.27 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.94 3mhg h GLN 136 CO 0.90 0.55 -0.43 -0.44 -0.67 0.00 0.00 178.83 178.74 3mhg h ASP 137 N 0.63 0.79 -0.51 1.46 3.32 -1.99 -1.52 116.42 118.59 3mhg h ASP 137 Ca 0.15 -0.54 0.05 0.00 0.02 0.00 0.00 57.03 56.71 3mhg h ASP 137 Cb 0.18 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 3mhg h ASP 137 CO -0.01 1.18 0.26 0.58 -1.72 0.00 0.00 179.24 179.53 3mhg h VAL 138 N 0.43 0.95 -0.03 -1.35 2.07 -1.86 -1.73 116.25 114.74 3mhg h VAL 138 Ca 0.01 -0.17 -0.09 0.00 0.82 0.00 0.00 66.70 67.27 3mhg h VAL 138 Cb 1.03 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3mhg h VAL 138 CO 0.10 0.09 -0.41 0.78 0.02 0.00 0.00 177.57 178.15 3mhg h ASN 139 N 0.50 0.05 -0.52 0.57 2.35 -1.21 -1.29 115.58 116.04 3mhg h ASN 139 Ca 0.23 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.84 3mhg h ASN 139 Cb 0.14 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 3mhg h ASN 139 CO -0.16 0.46 -0.11 -0.08 -1.65 0.00 0.00 177.43 175.89 3mhg h GLU 140 N 0.04 1.01 -0.76 0.81 4.57 -0.83 -0.29 114.58 119.13 3mhg h GLU 140 Ca 0.00 -0.37 -0.04 0.00 -1.18 0.00 0.00 59.36 57.77 3mhg h GLU 140 Cb 0.74 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.23 3mhg h GLU 140 CO 0.05 1.06 0.31 0.37 -1.18 0.00 0.00 179.01 179.62 3mhg h GLN 141 N 0.90 1.12 -0.32 1.92 4.15 -0.91 -1.75 115.11 120.21 3mhg h GLN 141 Ca 0.14 -0.19 -0.05 0.00 0.77 0.00 0.00 58.65 59.32 3mhg h GLN 141 Cb 0.67 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 3mhg h GLN 141 CO 0.05 0.90 0.00 0.87 -1.93 0.00 0.00 178.83 178.72 3mhg h LYS 142 N 1.09 0.57 -0.57 1.69 1.57 -0.88 -1.99 116.57 118.06 3mhg h LYS 142 Ca 0.25 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3mhg h LYS 142 Cb 0.19 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 3mhg h LYS 142 CO -0.02 0.70 0.36 0.87 -0.57 0.00 0.00 179.45 180.78 3mhg h LYS 143 N 0.37 0.76 -0.90 3.15 1.57 -0.96 -1.92 116.57 118.64 3mhg h LYS 143 Ca 0.09 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3mhg h LYS 143 Cb 0.44 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 3mhg h LYS 143 CO 0.02 0.53 0.57 0.00 -0.57 0.00 0.00 179.45 179.99 3mhg h ALA 144 N 1.19 1.30 -0.54 3.86 0.00 -1.26 -1.44 119.26 122.37 3mhg h ALA 144 Ca 0.21 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3mhg h ALA 144 Cb -0.05 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 3mhg h ALA 144 CO -0.04 0.62 0.06 -0.92 0.00 0.00 0.00 179.25 178.97 3mhg h TYR 145 N 1.23 0.98 -0.44 0.00 3.20 -0.81 -2.28 116.97 118.85 3mhg h TYR 145 Ca 0.33 -0.15 -0.12 0.00 3.14 0.00 0.00 58.73 61.92 3mhg h TYR 145 Cb -0.09 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 37.90 3mhg h TYR 145 CO 0.00 0.88 -0.23 0.82 -1.64 0.00 0.00 178.16 178.00 3mhg h ILE 146 N 0.79 1.27 -0.83 1.81 1.08 -1.15 -2.69 117.51 117.79 3mhg h ILE 146 Ca 0.16 -1.37 0.14 0.00 -0.39 0.00 0.00 64.86 63.40 3mhg h ILE 146 Cb 0.45 1.17 -0.09 0.00 -3.07 0.00 0.00 36.82 35.28 3mhg h ILE 146 CO 0.02 0.47 0.42 -0.33 -0.69 0.00 0.00 178.15 178.04 3mhg h GLU 147 N 0.77 0.60 -0.11 2.37 5.08 -0.92 0.74 114.58 123.11 3mhg h GLU 147 Ca 0.10 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3mhg h GLU 147 Cb 0.77 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 3mhg h GLU 147 CO 0.06 0.40 0.05 0.00 -1.00 0.00 0.00 179.01 178.52 3mhg h ARG 148 N 0.62 0.17 -0.62 2.33 3.08 -1.10 -0.96 114.38 117.90 3mhg h ARG 148 Ca 0.45 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.43 3mhg h ARG 148 Cb 0.61 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 3mhg h ARG 148 CO -0.35 0.26 0.24 0.82 -1.07 0.00 0.00 179.97 179.87 3mhg h ILE 149 N 0.04 1.23 -0.81 2.04 2.04 -1.20 -0.23 117.51 120.62 3mhg h ILE 149 Ca 0.04 -0.73 0.05 0.00 1.00 0.00 0.00 64.86 65.22 3mhg h ILE 149 Cb 0.15 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 36.73 3mhg h ILE 149 CO -0.00 0.29 0.50 1.23 0.00 0.00 0.00 178.15 180.16 3mhg h GLY 150 N 0.87 1.20 1.00 5.37 0.00 -0.74 -0.88 103.07 109.89 3mhg h GLY 150 Ca 0.21 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 47.07 3mhg h GLY 150 CO -0.02 0.26 -0.15 1.76 0.00 0.00 0.00 176.54 178.39 3mhg h SER 151 N 0.93 0.82 -0.58 0.19 0.02 -0.69 -2.00 113.55 112.24 3mhg h SER 151 Ca 0.35 -0.39 0.10 0.00 -0.84 0.00 0.00 61.79 61.00 3mhg h SER 151 Cb 0.13 -0.23 -0.07 0.00 0.14 0.00 0.00 62.40 62.37 3mhg h SER 151 CO -0.16 1.03 0.18 -0.33 -1.14 0.00 0.00 176.83 176.41 3mhg h GLU 152 N 0.61 0.33 -0.02 3.45 5.08 -0.44 -0.99 114.58 122.60 3mhg h GLU 152 Ca 0.09 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.30 3mhg h GLU 152 Cb 0.70 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 3mhg h GLU 152 CO 0.05 0.22 -0.62 0.00 -1.00 0.00 0.00 179.01 177.66 3mhg h ARG 154 N 0.06 0.38 -0.71 0.00 2.43 -0.83 0.99 114.38 116.69 3mhg h ARG 154 Ca -0.01 -0.09 -0.07 0.00 -0.81 0.00 0.00 59.98 59.00 3mhg h ARG 154 Cb 1.11 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.58 3mhg h ARG 154 CO 0.09 0.49 0.17 0.00 -1.51 0.00 0.00 179.97 179.21 3mhg h ALA 155 N 0.87 0.94 -0.00 2.80 0.00 -0.81 -2.33 119.26 120.72 3mhg h ALA 155 Ca 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3mhg h ALA 155 Cb 0.28 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3mhg h ALA 155 CO 0.00 0.67 -0.17 0.39 0.00 0.00 0.00 179.25 180.14 3mhg n GLU 156 N -4.23 0.39 -3.44 0.00 -0.58 -0.07 -4.94 120.64 107.76 3mhg n GLU 156 Ca 0.05 -0.14 -0.17 0.00 -0.42 0.00 0.00 57.16 56.48 3mhg n GLU 156 Cb 0.26 -1.50 0.08 0.00 -0.57 0.00 0.00 31.44 29.72 3mhg n GLU 156 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3mhg n ASP 157 N -1.18 -2.44 -3.99 1.62 2.03 0.21 -5.02 116.55 107.77 3mhg n ASP 157 Ca 0.11 -0.65 -0.21 0.00 0.52 0.00 0.00 54.79 54.56 3mhg n ASP 157 Cb 0.30 -5.01 -0.16 0.00 -0.72 0.00 0.00 41.12 35.54 3mhg n ASP 157 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3mhg s ILE 158 N -3.40 0.79 0.32 5.18 2.07 -0.40 -4.32 121.20 121.44 3mhg s ILE 158 Ca 0.05 -0.35 -0.28 0.00 -1.41 0.00 0.00 60.65 58.66 3mhg s ILE 158 Cb -0.01 -0.72 -0.13 0.00 0.13 0.00 0.00 42.46 41.74 3mhg s ILE 158 CO 0.74 0.25 1.25 -2.65 -1.91 0.00 0.00 174.94 172.62 3mhg n PRO 159 N 3.39 1.97 -3.68 3.50 -0.02 -1.26 -4.59 135.00 134.32 3mhg n PRO 159 Ca -0.19 0.69 -0.39 0.00 -2.02 0.00 0.00 63.50 61.59 3mhg n PRO 159 Cb 0.54 -2.24 -0.12 0.00 -0.02 0.00 0.00 33.50 31.66 3mhg n PRO 159 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3mhg s PHE 160 N -0.98 3.25 -0.38 6.00 5.36 -1.26 -1.36 117.98 128.60 3mhg s PHE 160 Ca 0.57 -1.19 -0.17 0.00 -0.96 0.00 0.00 56.93 55.19 3mhg s PHE 160 Cb -0.60 -2.36 0.00 0.00 -0.34 0.00 0.00 43.02 39.72 3mhg s PHE 160 CO 0.61 -0.69 0.42 0.71 -1.46 0.00 0.00 175.22 174.81 3mhg s TYR 161 N 1.48 3.19 -0.31 10.12 1.51 0.35 -0.96 117.35 132.73 3mhg s TYR 161 Ca 0.00 -0.13 -0.12 0.00 -1.01 0.00 0.00 57.07 55.81 3mhg s TYR 161 Cb -0.19 -2.81 -0.03 0.00 -0.11 0.00 0.00 41.96 38.82 3mhg s TYR 161 CO 0.05 -0.56 0.21 -1.17 -1.11 0.00 0.00 175.55 172.96 3mhg s LEU 162 N 2.14 4.28 -0.09 -1.29 2.96 -0.35 -1.38 118.68 124.94 3mhg s LEU 162 Ca 0.13 -0.28 -0.18 0.00 -0.22 0.00 0.00 54.13 53.58 3mhg s LEU 162 Cb -0.17 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 3mhg s LEU 162 CO 0.13 -0.16 0.49 -0.70 -1.32 0.00 0.00 176.35 174.79 3mhg s GLU 163 N 1.72 4.31 -0.19 1.98 2.12 0.46 -0.75 118.70 128.35 3mhg s GLU 163 Ca 0.06 0.49 -0.02 0.00 0.36 0.00 0.00 54.97 55.87 3mhg s GLU 163 Cb -0.17 -3.41 -0.00 0.00 0.26 0.00 0.00 34.13 30.81 3mhg s GLU 163 CO 0.10 0.23 -0.10 0.42 -0.54 0.00 0.00 175.26 175.36 3mhg s ILE 164 N 0.39 2.97 -0.20 -3.70 1.01 -0.52 -0.91 121.20 120.23 3mhg s ILE 164 Ca 0.27 -0.64 -0.04 0.00 0.00 0.00 0.00 60.65 60.24 3mhg s ILE 164 Cb -0.16 -2.31 -0.01 0.00 0.01 0.00 0.00 42.46 39.99 3mhg s ILE 164 CO 0.12 0.47 -0.04 -0.76 0.00 0.00 0.00 174.94 174.73 3mhg s LEU 165 N 1.18 2.97 0.37 2.97 1.43 -0.58 -4.24 118.68 122.79 3mhg s LEU 165 Ca 0.02 -0.32 -0.06 0.00 -1.03 0.00 0.00 54.13 52.74 3mhg s LEU 165 Cb -0.14 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 3mhg s LEU 165 CO -0.04 0.04 0.66 0.42 0.23 0.00 0.00 176.35 177.66 3mhg s THR 166 N 1.15 4.95 0.35 5.49 -4.23 -1.26 -1.22 115.64 120.87 3mhg s THR 166 Ca 0.02 0.16 -0.15 0.00 -1.18 0.00 0.00 61.69 60.54 3mhg s THR 166 Cb -0.14 -3.78 0.04 0.00 1.34 0.00 0.00 72.50 69.95 3mhg s THR 166 CO -0.01 -0.53 0.72 -0.72 -0.54 0.00 0.00 174.62 173.55 3mhg s TYR 167 N -2.34 0.18 -0.09 3.99 -0.85 -1.15 -4.86 117.35 112.22 3mhg s TYR 167 Ca 0.46 -0.75 0.02 0.00 -0.52 0.00 0.00 57.07 56.28 3mhg s TYR 167 Cb -0.10 0.67 0.01 0.00 0.38 0.00 0.00 41.96 42.92 3mhg s TYR 167 CO 0.35 -1.42 -0.15 0.34 -1.52 0.00 0.00 175.55 173.15 3mhg s ASP 168 N -3.06 2.27 0.58 -0.18 -1.08 -1.26 -4.26 116.67 109.68 3mhg s ASP 168 Ca 0.17 -0.39 0.29 0.00 -0.52 0.00 0.00 52.55 52.10 3mhg s ASP 168 Cb -0.04 -1.02 1.44 0.00 -1.46 0.00 0.00 42.92 41.84 3mhg s ASP 168 CO 0.11 0.03 1.85 -0.33 0.52 0.00 0.00 175.17 177.36 3mhg h GLU 169 N 7.22 0.00 -0.01 4.34 5.08 -1.96 -1.77 114.58 127.48 3mhg h GLU 169 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3mhg h GLU 169 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3mhg h GLU 169 CO 0.48 0.00 -0.36 1.63 -1.00 0.00 0.00 179.01 179.76 3mhg n LYS 170 N -3.80 2.02 -3.86 2.33 5.02 -1.26 -4.87 118.16 113.74 3mhg n LYS 170 Ca 0.12 -0.57 -0.36 0.00 -2.02 0.00 0.00 58.31 55.48 3mhg n LYS 170 Cb 0.80 -1.18 -0.13 0.00 -0.02 0.00 0.00 35.03 34.50 3mhg n LYS 170 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3mhg s ILE 171 N -1.81 3.44 0.21 -0.18 1.01 -0.67 -5.00 121.20 118.21 3mhg s ILE 171 Ca 0.10 -0.79 -0.00 0.00 0.00 0.00 0.00 60.65 59.95 3mhg s ILE 171 Cb 0.11 -2.73 -0.05 0.00 0.01 0.00 0.00 42.46 39.80 3mhg s ILE 171 CO 0.39 0.18 1.53 0.00 0.00 0.00 0.00 174.94 177.04 3mhg h ALA 172 N 8.12 0.76 -3.45 9.38 0.00 -1.89 -3.40 119.26 128.79 3mhg h ALA 172 Ca -0.33 -0.52 -0.68 0.00 0.00 0.00 0.00 54.91 53.38 3mhg h ALA 172 Cb 1.12 -0.08 -0.33 0.00 0.00 0.00 0.00 17.79 18.50 3mhg h ALA 172 CO 0.59 0.70 -0.73 0.34 0.00 0.00 0.00 179.25 180.14 3mhg s ASP 173 N -6.91 4.57 0.31 0.00 -1.08 -1.26 -4.96 116.67 107.33 3mhg s ASP 173 Ca -0.06 -1.11 0.24 0.00 -0.52 0.00 0.00 52.55 51.10 3mhg s ASP 173 Cb 0.12 -1.67 1.11 0.00 -1.46 0.00 0.00 42.92 41.01 3mhg s ASP 173 CO 0.82 -0.19 1.73 0.78 0.52 0.00 0.00 175.17 178.83 3mhg h ASN 174 N 7.98 0.00 0.43 -0.34 4.21 -1.97 -2.43 115.58 123.45 3mhg h ASN 174 Ca -0.26 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.25 3mhg h ASN 174 Cb 1.08 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.28 3mhg h ASN 174 CO 0.54 0.00 -0.34 0.00 -1.29 0.00 0.00 177.43 176.34 3mhg n ALA 175 N -1.80 3.22 -1.61 -0.83 0.00 -1.26 -4.59 120.51 113.63 3mhg n ALA 175 Ca 0.01 -0.34 -0.33 0.00 0.00 0.00 0.00 53.44 52.78 3mhg n ALA 175 Cb 0.17 -1.17 0.02 0.00 0.00 0.00 0.00 19.45 18.47 3mhg n ALA 175 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3mhg s SER 176 N -2.77 5.55 0.42 0.00 1.04 -0.91 -4.91 113.70 112.12 3mhg s SER 176 Ca 0.18 1.88 0.08 0.00 0.48 0.00 0.00 55.95 58.57 3mhg s SER 176 Cb 0.18 -2.54 0.90 0.00 0.10 0.00 0.00 66.02 64.67 3mhg s SER 176 CO 0.60 -1.33 2.06 -0.65 0.98 0.00 0.00 173.24 174.91 3mhg h PRO 177 N 0.28 0.46 -0.58 4.02 0.11 -1.92 -2.09 132.00 132.29 3mhg h PRO 177 Ca -0.47 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.65 3mhg h PRO 177 Cb 1.23 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 3mhg h PRO 177 CO 0.56 0.32 0.33 1.49 -0.21 0.00 0.00 178.00 180.50 3mhg h GLU 178 N 0.48 0.63 -0.32 1.05 4.81 -1.92 -2.63 114.58 116.68 3mhg h GLU 178 Ca 0.13 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.18 3mhg h GLU 178 Cb -0.03 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 3mhg h GLU 178 CO -0.03 0.42 -0.34 0.35 -0.73 0.00 0.00 179.01 178.68 3mhg h PHE 179 N 0.65 0.96 -0.93 0.92 3.57 -1.66 -3.12 116.94 117.33 3mhg h PHE 179 Ca 0.24 -0.29 0.21 0.00 3.53 0.00 0.00 57.97 61.66 3mhg h PHE 179 Cb 0.08 -0.20 -0.07 0.00 2.79 0.00 0.00 35.95 38.55 3mhg h PHE 179 CO -0.07 1.08 0.61 0.00 -2.23 0.00 0.00 178.31 177.70 3mhg h ALA 180 N 0.72 2.20 0.00 2.41 0.00 -1.05 0.12 119.26 123.66 3mhg h ALA 180 Ca 0.05 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3mhg h ALA 180 Cb 0.93 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 3mhg h ALA 180 CO 0.08 -0.50 -0.03 0.87 0.00 0.00 0.00 179.25 179.68 3mhg h LYS 181 N 0.42 0.00 -0.04 0.00 1.57 -1.42 -3.05 116.57 114.05 3mhg h LYS 181 Ca 0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 3mhg h LYS 181 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3mhg h LYS 181 CO -0.20 0.03 0.00 1.33 -0.57 0.00 0.00 179.45 180.04 3mhg n VAL 182 N -3.14 0.18 -0.06 0.50 0.24 0.29 -4.77 118.33 111.57 3mhg n VAL 182 Ca 0.00 -0.59 -0.09 0.00 -2.04 0.00 0.00 64.34 61.62 3mhg n VAL 182 Cb 0.31 1.02 -0.02 0.00 -1.47 0.00 0.00 33.84 33.68 3mhg n VAL 182 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3mhg h LYS 183 N 1.23 0.29 -0.60 7.34 3.64 -1.06 -1.92 116.57 125.50 3mhg h LYS 183 Ca 0.00 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.43 3mhg h LYS 183 Cb 0.33 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.03 3mhg h LYS 183 CO 0.00 0.19 0.28 0.00 -2.27 0.00 0.00 179.45 177.65 3mhg h ALA 184 N 1.10 0.78 -0.43 5.00 0.00 -1.77 0.41 119.26 124.35 3mhg h ALA 184 Ca 0.09 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3mhg h ALA 184 Cb -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3mhg h ALA 184 CO -0.04 -0.10 0.25 1.25 0.00 0.00 0.00 179.25 180.62 3mhg h HIS 185 N 0.51 0.57 -0.31 0.00 -0.00 -1.83 -0.36 115.15 113.73 3mhg h HIS 185 Ca 0.28 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.65 3mhg h HIS 185 Cb 0.26 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 27.47 3mhg h HIS 185 CO -0.12 0.41 0.19 0.87 -0.00 0.00 0.00 177.93 179.28 3mhg h LYS 186 N 0.56 0.43 0.03 5.26 1.79 -0.48 -2.29 116.57 121.86 3mhg h LYS 186 Ca 0.15 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.58 3mhg h LYS 186 Cb 0.01 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.57 3mhg h LYS 186 CO -0.03 0.32 -0.01 0.28 -1.08 0.00 0.00 179.45 178.93 3mhg h VAL 187 N 0.41 1.40 -0.42 0.50 2.07 -0.85 -2.86 116.25 116.50 3mhg h VAL 187 Ca 0.11 -1.40 -0.10 0.00 0.82 0.00 0.00 66.70 66.14 3mhg h VAL 187 Cb 0.01 2.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 3mhg h VAL 187 CO -0.02 0.35 -0.11 0.78 0.02 0.00 0.00 177.57 178.59 3mhg h ASN 188 N -0.65 0.82 0.23 0.57 2.35 -1.12 -2.11 115.58 115.68 3mhg h ASN 188 Ca -0.00 -0.37 -0.10 0.00 -0.55 0.00 0.00 56.30 55.28 3mhg h ASN 188 Cb 0.60 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 3mhg h ASN 188 CO 0.01 1.00 -0.40 -0.33 -1.65 0.00 0.00 177.43 176.06 3mhg h GLU 189 N 0.64 0.23 -0.45 0.81 4.39 -1.54 -1.99 114.58 116.67 3mhg h GLU 189 Ca 0.11 -0.11 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 3mhg h GLU 189 Cb 0.64 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 3mhg h GLU 189 CO 0.04 0.60 -0.22 0.00 -1.16 0.00 0.00 179.01 178.27 3mhg h ALA 190 N 1.39 0.76 -0.68 3.43 0.00 -1.35 -2.23 119.26 120.59 3mhg h ALA 190 Ca 0.02 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 3mhg h ALA 190 Cb 0.80 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3mhg h ALA 190 CO 0.06 0.66 0.26 0.52 0.00 0.00 0.00 179.25 180.75 3mhg h MET 191 N 0.79 1.00 -0.42 0.00 2.86 -1.07 -2.22 114.93 115.87 3mhg h MET 191 Ca 0.10 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3mhg h MET 191 Cb 0.77 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 3mhg h MET 191 CO 0.06 0.82 0.27 0.87 1.06 0.00 0.00 176.91 180.00 3mhg h LYS 192 N 0.98 0.56 0.17 1.72 1.57 -1.14 -1.86 116.57 118.58 3mhg h LYS 192 Ca 0.23 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.97 3mhg h LYS 192 Cb 0.21 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3mhg h LYS 192 CO -0.02 0.40 -0.21 0.28 -0.57 0.00 0.00 179.45 179.33 3mhg h VAL 193 N 0.56 0.55 -0.10 0.50 2.07 -1.10 -3.16 116.25 115.58 3mhg h VAL 193 Ca 0.15 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.67 3mhg h VAL 193 Cb -0.03 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 3mhg h VAL 193 CO -0.03 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.05 3mhg n PHE 194 N -5.33 0.12 0.72 1.57 3.72 -0.86 -2.70 117.46 114.70 3mhg n PHE 194 Ca -0.08 -0.06 0.13 0.00 -0.05 0.00 0.00 57.45 57.39 3mhg n PHE 194 Cb 0.24 0.00 0.34 0.00 -0.94 0.00 0.00 39.48 39.12 3mhg n PHE 194 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3mhg n SER 195 N 0.00 0.60 -4.74 4.37 7.64 -0.71 -4.65 113.62 116.13 3mhg n SER 195 Ca 0.17 0.29 -0.39 0.00 1.01 0.00 0.00 58.87 59.95 3mhg n SER 195 Cb 0.27 -0.27 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 3mhg n SER 195 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3mhg n LYS 196 N -1.98 1.87 0.24 1.43 5.02 -1.10 -4.88 118.16 118.77 3mhg n LYS 196 Ca 0.05 0.68 0.09 0.00 -2.02 0.00 0.00 58.31 57.10 3mhg n LYS 196 Cb 0.41 -2.55 0.64 0.00 -0.02 0.00 0.00 35.03 33.50 3mhg n LYS 196 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3mhg h GLU 197 N 1.75 0.01 0.00 1.97 4.81 -1.92 -2.61 114.58 118.60 3mhg h GLU 197 Ca -0.50 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3mhg h GLU 197 Cb 1.29 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 3mhg h GLU 197 CO 0.58 0.00 0.00 0.07 -0.73 0.00 0.00 179.01 178.94 3mhg h ARG 198 N 0.01 0.00 -0.00 1.92 0.11 -1.96 -2.02 114.38 112.44 3mhg h ARG 198 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 3mhg h ARG 198 Cb 0.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.13 3mhg h ARG 198 CO -0.00 0.00 -0.52 1.19 0.10 0.00 0.00 179.97 180.74 3mhg n PHE 199 N -2.55 0.00 -2.26 4.08 3.72 -0.98 -4.70 117.46 114.78 3mhg n PHE 199 Ca -0.00 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.19 3mhg n PHE 199 Cb 0.14 -0.22 -0.02 0.00 -0.94 0.00 0.00 39.48 38.43 3mhg n PHE 199 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mhg n GLY 200 N 1.49 -0.07 3.75 1.37 0.00 -0.76 -4.14 105.19 106.83 3mhg n GLY 200 Ca 0.06 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 3mhg n GLY 200 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mhg s VAL 201 N -2.98 3.96 -0.24 1.61 1.01 -1.26 -4.66 120.40 117.83 3mhg s VAL 201 Ca 0.00 1.93 0.00 0.00 0.00 0.00 0.00 61.98 63.91 3mhg s VAL 201 Cb 0.00 -4.23 -0.15 0.00 0.00 0.00 0.00 36.38 32.00 3mhg s VAL 201 CO 0.00 0.44 -0.23 0.47 0.00 0.00 0.00 175.10 175.79 3mhg n ASP 202 N 1.55 2.09 -3.92 3.32 8.00 -0.13 -4.97 116.55 122.49 3mhg n ASP 202 Ca -0.01 -0.08 -0.16 0.00 0.71 0.00 0.00 54.79 55.25 3mhg n ASP 202 Cb 0.47 -0.43 -0.15 0.00 -0.02 0.00 0.00 41.12 40.99 3mhg n ASP 202 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3mhg s VAL 203 N -2.48 0.35 -0.23 2.53 1.01 -1.00 -4.18 120.40 116.39 3mhg s VAL 203 Ca -0.33 -0.14 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 3mhg s VAL 203 Cb 0.09 -0.32 -0.05 0.00 0.00 0.00 0.00 36.38 36.10 3mhg s VAL 203 CO 0.54 0.12 0.17 -0.76 0.00 0.00 0.00 175.10 175.18 3mhg s LEU 204 N 0.17 4.14 -0.36 3.92 1.43 -0.69 -1.21 118.68 126.08 3mhg s LEU 204 Ca -0.01 0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 53.15 3mhg s LEU 204 Cb -0.05 -2.14 0.01 0.00 0.03 0.00 0.00 46.19 44.04 3mhg s LEU 204 CO -0.00 0.08 0.22 -0.75 0.23 0.00 0.00 176.35 176.12 3mhg s LYS 205 N 0.90 3.15 0.19 1.70 2.20 0.07 -0.44 119.74 127.50 3mhg s LYS 205 Ca 0.09 -0.87 0.03 0.00 -0.36 0.00 0.00 55.97 54.85 3mhg s LYS 205 Cb -0.13 -3.75 -0.05 0.00 -1.51 0.00 0.00 37.83 32.40 3mhg s LYS 205 CO 0.03 -0.57 -0.01 0.14 -0.36 0.00 0.00 175.35 174.58 3mhg s VAL 206 N 1.63 0.84 0.54 4.02 -7.23 -0.08 -1.44 120.40 118.68 3mhg s VAL 206 Ca 0.04 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.04 3mhg s VAL 206 Cb -0.18 -2.17 -0.06 0.00 0.56 0.00 0.00 36.38 34.53 3mhg s VAL 206 CO 0.08 -0.45 1.01 -1.61 -0.31 0.00 0.00 175.10 173.82 3mhg s GLU 207 N -3.88 3.72 0.46 4.82 2.02 -1.26 -1.96 118.70 122.61 3mhg s GLU 207 Ca 0.25 1.08 -0.24 0.00 0.02 0.00 0.00 54.97 56.07 3mhg s GLU 207 Cb 0.06 -2.10 -0.07 0.00 0.10 0.00 0.00 34.13 32.11 3mhg s GLU 207 CO 0.05 -0.47 1.33 0.14 0.02 0.00 0.00 175.26 176.33 3mhg s VAL 208 N -2.51 2.40 -1.23 2.63 -7.23 -1.26 -4.87 120.40 108.33 3mhg s VAL 208 Ca 0.61 0.34 0.00 0.00 -1.81 0.00 0.00 61.98 61.12 3mhg s VAL 208 Cb -0.12 -3.19 0.00 0.00 0.56 0.00 0.00 36.38 33.63 3mhg s VAL 208 CO 0.32 0.03 0.59 -0.81 -0.31 0.00 0.00 175.10 174.93 3mhg n PRO 209 N -0.31 0.97 -3.76 4.82 -0.04 -1.26 -4.73 135.00 130.68 3mhg n PRO 209 Ca 0.06 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.39 3mhg n PRO 209 Cb 0.44 -1.38 -0.09 0.00 -0.04 0.00 0.00 33.50 32.44 3mhg n PRO 209 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3mhg s VAL 210 N -1.23 0.05 -0.60 0.52 0.11 -1.26 -2.99 120.40 115.01 3mhg s VAL 210 Ca 0.00 -0.45 -0.23 0.00 -2.93 0.00 0.00 61.98 58.37 3mhg s VAL 210 Cb 0.00 -0.60 0.06 0.00 -1.53 0.00 0.00 36.38 34.31 3mhg s VAL 210 CO 0.00 -0.25 0.92 0.21 -3.33 0.00 0.00 175.10 172.65 3mhg s ASN 211 N -1.24 6.24 0.63 3.54 3.84 -1.26 -4.91 114.94 121.78 3mhg s ASN 211 Ca -0.13 -0.76 0.39 0.00 0.21 0.00 0.00 52.86 52.57 3mhg s ASN 211 Cb -0.05 -2.41 2.13 0.00 -0.55 0.00 0.00 41.25 40.37 3mhg s ASN 211 CO 0.04 -1.30 2.29 0.24 -2.79 0.00 0.00 177.10 175.58 3mhg h MET 212 N 9.41 0.00 0.00 0.43 2.86 -1.97 -1.85 114.93 123.81 3mhg h MET 212 Ca -0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 3mhg h MET 212 Cb 1.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.73 3mhg h MET 212 CO 1.12 0.01 0.00 1.63 1.06 0.00 0.00 176.91 180.74 3mhg n LYS 213 N -3.30 0.23 -0.07 1.72 5.02 -1.26 -2.02 118.16 118.47 3mhg n LYS 213 Ca -0.03 0.14 0.03 0.00 -2.02 0.00 0.00 58.31 56.43 3mhg n LYS 213 Cb 0.11 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.68 3mhg n LYS 213 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3mhg n PHE 214 N -1.27 0.19 -3.61 2.13 3.01 -0.69 -4.23 117.46 112.98 3mhg n PHE 214 Ca 0.07 -0.52 -0.36 0.00 1.01 0.00 0.00 57.45 57.65 3mhg n PHE 214 Cb 0.12 -0.05 -0.07 0.00 -0.01 0.00 0.00 39.48 39.46 3mhg n PHE 214 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3mhg s VAL 215 N -1.10 5.33 0.01 -4.37 1.01 -0.86 -0.18 120.40 120.24 3mhg s VAL 215 Ca 0.10 0.46 -0.38 0.00 0.00 0.00 0.00 61.98 62.16 3mhg s VAL 215 Cb 0.06 -3.58 -0.18 0.00 0.00 0.00 0.00 36.38 32.68 3mhg s VAL 215 CO 0.06 0.44 1.31 1.21 0.00 0.00 0.00 175.10 178.12 3mhg n GLU 216 N 3.26 0.78 0.00 2.72 4.07 0.25 -0.48 120.64 131.24 3mhg n GLU 216 Ca -0.14 0.28 0.00 0.00 -0.06 0.00 0.00 57.16 57.24 3mhg n GLU 216 Cb 0.52 -1.88 0.00 0.00 -0.06 0.00 0.00 31.44 30.02 3mhg n GLU 216 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3mhg n GLY 217 N 2.44 3.11 0.00 8.31 0.00 -1.26 -4.55 105.19 113.25 3mhg n GLY 217 Ca 0.20 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.27 3mhg n GLY 217 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mhg n PHE 218 N -0.90 0.00 -2.81 1.61 3.01 0.36 -5.02 117.46 113.72 3mhg n PHE 218 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.06 3mhg n PHE 218 Cb 0.00 -0.17 -0.05 0.00 -0.01 0.00 0.00 39.48 39.24 3mhg n PHE 218 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3mhg s ALA 219 N -2.50 3.31 -0.59 4.37 0.00 -0.20 -4.72 121.76 121.43 3mhg s ALA 219 Ca -0.02 0.51 0.22 0.00 0.00 0.00 0.00 51.96 52.66 3mhg s ALA 219 Cb 0.06 -3.18 -0.25 0.00 0.00 0.00 0.00 23.12 19.75 3mhg s ALA 219 CO 0.37 0.08 0.75 -0.25 0.00 0.00 0.00 175.76 176.71 3mhg n ASP 220 N 2.35 0.57 0.00 0.00 8.00 -1.26 -4.98 116.55 121.23 3mhg n ASP 220 Ca -0.00 -0.54 0.00 0.00 0.71 0.00 0.00 54.79 54.96 3mhg n ASP 220 Cb 0.49 1.37 0.00 0.00 -0.02 0.00 0.00 41.12 42.96 3mhg n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mhg n GLY 221 N 1.39 5.08 3.75 0.44 0.00 -1.26 -5.09 105.19 109.50 3mhg n GLY 221 Ca 0.01 -1.55 -0.37 0.00 0.00 0.00 0.00 46.02 44.10 3mhg n GLY 221 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3mhg s GLU 222 N 4.97 3.06 -0.21 1.61 -1.05 -1.26 -5.00 118.70 120.82 3mhg s GLU 222 Ca 0.00 2.03 -0.06 0.00 -0.15 0.00 0.00 54.97 56.79 3mhg s GLU 222 Cb 0.00 -2.11 -0.03 0.00 -0.44 0.00 0.00 34.13 31.55 3mhg s GLU 222 CO 0.00 -1.19 0.04 0.08 0.95 0.00 0.00 175.26 175.13 3mhg s VAL 223 N -1.43 4.25 -0.13 1.83 1.01 -1.26 -4.65 120.40 120.02 3mhg s VAL 223 Ca 0.74 -0.21 0.17 0.00 0.00 0.00 0.00 61.98 62.69 3mhg s VAL 223 Cb -0.36 -2.94 -0.25 0.00 0.00 0.00 0.00 36.38 32.84 3mhg s VAL 223 CO 0.40 0.41 0.17 0.18 0.00 0.00 0.00 175.10 176.26 3mhg n LEU 224 N 4.30 0.00 -4.08 3.92 4.77 0.74 -5.00 117.00 121.65 3mhg n LEU 224 Ca -0.17 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.65 3mhg n LEU 224 Cb 0.52 0.31 -0.12 0.00 -2.33 0.00 0.00 43.42 41.79 3mhg n LEU 224 CO 0.32 0.31 -0.43 -0.36 -1.33 0.00 0.00 177.39 175.90 3mhg s PHE 225 N -2.72 0.86 0.77 -1.77 0.08 -0.86 -5.05 117.98 109.30 3mhg s PHE 225 Ca -0.08 -0.39 -0.12 0.00 0.12 0.00 0.00 56.93 56.46 3mhg s PHE 225 Cb 0.08 -0.51 0.05 0.00 -0.57 0.00 0.00 43.02 42.07 3mhg s PHE 225 CO 0.76 -0.02 1.14 0.95 -0.10 0.00 0.00 175.22 177.95 3mhg s THR 226 N -1.01 2.62 0.32 0.64 -4.23 -1.26 -0.58 115.64 112.14 3mhg s THR 226 Ca -0.04 0.20 0.01 0.00 -1.18 0.00 0.00 61.69 60.68 3mhg s THR 226 Cb -0.08 -3.19 0.22 0.00 1.34 0.00 0.00 72.50 70.78 3mhg s THR 226 CO 0.01 -0.26 1.94 0.11 -0.54 0.00 0.00 174.62 175.87 3mhg h LYS 227 N -0.90 0.82 -0.51 3.99 1.57 -1.95 -1.75 116.57 117.84 3mhg h LYS 227 Ca -0.46 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.16 3mhg h LYS 227 Cb 1.30 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 3mhg h LYS 227 CO 0.65 0.63 0.05 1.49 -0.57 0.00 0.00 179.45 181.70 3mhg h GLU 228 N 0.82 0.87 -0.58 3.15 4.57 -1.97 0.19 114.58 121.63 3mhg h GLU 228 Ca 0.21 -0.25 -0.04 0.00 -1.18 0.00 0.00 59.36 58.09 3mhg h GLU 228 Cb 0.07 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.54 3mhg h GLU 228 CO -0.03 0.88 0.20 0.93 -1.18 0.00 0.00 179.01 179.81 3mhg h GLU 229 N 0.75 0.90 -0.41 1.92 5.08 -1.87 -0.70 114.58 120.24 3mhg h GLU 229 Ca 0.15 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3mhg h GLU 229 Cb 0.45 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3mhg h GLU 229 CO 0.02 0.79 0.16 0.00 -1.00 0.00 0.00 179.01 178.97 3mhg h ALA 230 N 1.06 0.53 -0.81 3.43 0.00 -1.09 -2.51 119.26 119.87 3mhg h ALA 230 Ca 0.19 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3mhg h ALA 230 Cb 0.25 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3mhg h ALA 230 CO -0.01 0.15 0.52 0.00 0.00 0.00 0.00 179.25 179.91 3mhg h ALA 231 N 1.00 1.07 -0.57 0.00 0.00 -0.39 -2.13 119.26 118.24 3mhg h ALA 231 Ca 0.14 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3mhg h ALA 231 Cb 0.21 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3mhg h ALA 231 CO -0.01 0.34 0.26 0.37 0.00 0.00 0.00 179.25 180.22 3mhg h GLN 232 N 1.01 0.81 -0.71 0.00 5.75 -0.94 -1.36 115.11 119.67 3mhg h GLN 232 Ca 0.32 -0.11 -0.07 0.00 -0.15 0.00 0.00 58.65 58.65 3mhg h GLN 232 Cb 0.01 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.37 3mhg h GLN 232 CO -0.11 0.64 0.19 0.00 -2.65 0.00 0.00 178.83 176.89 3mhg h ALA 233 N 1.48 0.94 -0.69 3.38 0.00 -0.95 0.62 119.26 124.04 3mhg h ALA 233 Ca 0.20 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3mhg h ALA 233 Cb 0.10 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3mhg h ALA 233 CO -0.02 0.65 0.24 0.74 0.00 0.00 0.00 179.25 180.86 3mhg h PHE 234 N 1.07 1.08 -0.65 0.00 0.04 -0.99 -0.76 116.94 116.73 3mhg h PHE 234 Ca 0.23 -0.10 -0.09 0.00 2.80 0.00 0.00 57.97 60.81 3mhg h PHE 234 Cb 0.36 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 3mhg h PHE 234 CO 0.03 0.85 0.06 0.00 -0.60 0.00 0.00 178.31 178.65 3mhg h ARG 235 N 0.99 1.11 -0.93 1.51 3.08 -0.99 -0.99 114.38 118.16 3mhg h ARG 235 Ca 0.23 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3mhg h ARG 235 Cb 0.26 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.15 3mhg h ARG 235 CO -0.01 1.04 0.59 -0.44 -1.07 0.00 0.00 179.97 180.08 3mhg h ASP 236 N 1.02 1.09 -0.22 7.04 3.32 -0.67 -1.39 116.42 126.62 3mhg h ASP 236 Ca 0.19 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 3mhg h ASP 236 Cb 0.50 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3mhg h ASP 236 CO 0.02 0.81 0.04 -0.61 -1.72 0.00 0.00 179.24 177.78 3mhg h GLN 237 N 1.27 0.36 -0.40 3.56 4.15 -0.81 -2.00 115.11 121.24 3mhg h GLN 237 Ca 0.34 -0.09 0.09 0.00 0.77 0.00 0.00 58.65 59.76 3mhg h GLN 237 Cb -0.11 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 3mhg h GLN 237 CO -0.07 0.50 0.28 1.49 -1.93 0.00 0.00 178.83 179.10 3mhg h GLU 238 N 0.16 0.10 -0.02 1.69 4.57 -0.83 0.26 114.58 120.52 3mhg h GLU 238 Ca 0.07 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3mhg h GLU 238 Cb 0.31 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 3mhg h GLU 238 CO 0.00 0.07 -0.05 0.00 -1.18 0.00 0.00 179.01 177.85 3mhg n ALA 239 N -2.58 2.66 0.98 2.92 0.00 -0.56 -4.02 120.51 119.91 3mhg n ALA 239 Ca 0.06 -0.47 0.12 0.00 0.00 0.00 0.00 53.44 53.15 3mhg n ALA 239 Cb 0.40 -1.11 0.32 0.00 0.00 0.00 0.00 19.45 19.05 3mhg n ALA 239 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3mhg n SER 240 N 0.18 0.41 -3.64 0.00 3.41 0.08 -4.92 113.62 109.14 3mhg n SER 240 Ca 0.17 -0.09 -0.14 0.00 -0.26 0.00 0.00 58.87 58.55 3mhg n SER 240 Cb 0.38 0.10 -0.07 0.00 -0.26 0.00 0.00 64.21 64.37 3mhg n SER 240 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3mhg s THR 241 N -3.01 0.04 -2.05 6.66 -1.32 -1.25 -3.50 115.64 111.21 3mhg s THR 241 Ca 0.11 -0.33 0.17 0.00 -1.21 0.00 0.00 61.69 60.43 3mhg s THR 241 Cb 0.18 -0.89 0.15 0.00 -1.51 0.00 0.00 72.50 70.42 3mhg s THR 241 CO 0.67 -0.18 1.04 0.47 -2.21 0.00 0.00 174.62 174.41 3mhg n ASP 242 N 0.72 2.43 -4.86 8.08 8.00 -1.26 -4.93 116.55 124.73 3mhg n ASP 242 Ca -0.19 -1.71 -0.31 0.00 0.71 0.00 0.00 54.79 53.29 3mhg n ASP 242 Cb 0.59 -0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.65 3mhg n ASP 242 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3mhg s LEU 243 N -1.37 3.55 0.43 0.64 1.43 -1.26 -2.61 118.68 119.48 3mhg s LEU 243 Ca 0.20 1.42 -0.26 0.00 -1.03 0.00 0.00 54.13 54.46 3mhg s LEU 243 Cb 0.14 -4.38 -0.09 0.00 0.03 0.00 0.00 46.19 41.89 3mhg s LEU 243 CO 0.21 -0.64 1.45 -2.65 0.23 0.00 0.00 176.35 174.95 3mhg n PRO 244 N -1.90 2.35 -3.92 1.29 -0.02 -1.26 -3.96 135.00 127.58 3mhg n PRO 244 Ca 0.05 0.83 -0.11 0.00 -2.02 0.00 0.00 63.50 62.26 3mhg n PRO 244 Cb 0.54 -2.64 -0.13 0.00 -0.02 0.00 0.00 33.50 31.26 3mhg n PRO 244 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3mhg s TYR 245 N -1.17 0.11 0.12 6.00 -0.85 -1.26 -1.71 117.35 118.58 3mhg s TYR 245 Ca 0.59 -0.22 0.06 0.00 -0.52 0.00 0.00 57.07 56.98 3mhg s TYR 245 Cb -0.46 -0.08 -0.04 0.00 0.38 0.00 0.00 41.96 41.77 3mhg s TYR 245 CO 0.59 -0.09 -0.14 0.96 -1.52 0.00 0.00 175.55 175.36 3mhg s ILE 246 N -0.63 1.31 -0.06 -3.49 -4.36 0.42 -0.85 121.20 113.53 3mhg s ILE 246 Ca -0.07 -1.69 -0.12 0.00 -0.26 0.00 0.00 60.65 58.51 3mhg s ILE 246 Cb -0.04 -1.50 -0.05 0.00 1.25 0.00 0.00 42.46 42.12 3mhg s ILE 246 CO -0.00 -0.41 0.30 -0.31 0.24 0.00 0.00 174.94 174.76 3mhg s TYR 247 N -2.09 3.66 0.33 1.37 2.02 -0.84 -0.90 117.35 120.91 3mhg s TYR 247 Ca 0.08 0.79 -0.06 0.00 -0.37 0.00 0.00 57.07 57.52 3mhg s TYR 247 Cb -0.05 -2.18 -0.05 0.00 -0.40 0.00 0.00 41.96 39.28 3mhg s TYR 247 CO 0.03 0.63 0.62 -0.48 -1.57 0.00 0.00 175.55 174.78 3mhg s LEU 248 N -0.90 3.97 0.19 -1.29 0.05 -0.83 -1.45 118.68 118.43 3mhg s LEU 248 Ca 0.20 0.81 0.15 0.00 0.05 0.00 0.00 54.13 55.34 3mhg s LEU 248 Cb -0.15 -3.65 -0.02 0.00 -2.05 0.00 0.00 46.19 40.32 3mhg s LEU 248 CO 0.09 -0.28 1.21 0.77 -0.55 0.00 0.00 176.35 177.60 3mhg h SER 249 N 1.40 0.00 -0.55 1.48 4.64 -1.92 -3.43 113.55 115.17 3mhg h SER 249 Ca -0.48 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.61 3mhg h SER 249 Cb 1.19 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.19 3mhg h SER 249 CO 0.65 0.55 -0.21 0.00 -0.87 0.00 0.00 176.83 176.95 3mhg n ALA 250 N -2.29 -0.18 -1.04 5.18 0.00 -1.26 -2.46 120.51 118.47 3mhg n ALA 250 Ca -0.02 0.19 -0.01 0.00 0.00 0.00 0.00 53.44 53.59 3mhg n ALA 250 Cb 0.78 -1.64 -0.01 0.00 0.00 0.00 0.00 19.45 18.59 3mhg n ALA 250 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mhg n GLY 251 N -0.36 0.50 3.66 0.00 0.00 -1.26 -5.03 105.19 102.70 3mhg n GLY 251 Ca -0.11 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 3mhg n GLY 251 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mhg s VAL 252 N -1.91 2.33 0.71 1.61 -7.23 -1.03 -4.76 120.40 110.13 3mhg s VAL 252 Ca 0.00 0.11 -0.16 0.00 -1.81 0.00 0.00 61.98 60.12 3mhg s VAL 252 Cb 0.00 -2.48 0.03 0.00 0.56 0.00 0.00 36.38 34.48 3mhg s VAL 252 CO 0.00 -0.14 1.24 -0.94 -0.31 0.00 0.00 175.10 174.94 3mhg s SER 253 N -3.21 4.28 0.23 4.85 1.04 -1.26 -4.30 113.70 115.31 3mhg s SER 253 Ca 0.65 2.45 -0.07 0.00 0.48 0.00 0.00 55.95 59.46 3mhg s SER 253 Cb -0.20 -2.60 0.35 0.00 0.10 0.00 0.00 66.02 63.67 3mhg s SER 253 CO 0.59 -2.21 1.76 0.00 0.98 0.00 0.00 173.24 174.35 3mhg h ALA 254 N -0.06 0.95 -0.43 5.32 0.00 -1.94 -1.23 119.26 121.87 3mhg h ALA 254 Ca -0.49 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 3mhg h ALA 254 Cb 1.31 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 3mhg h ALA 254 CO 0.50 -0.12 0.17 0.87 0.00 0.00 0.00 179.25 180.68 3mhg h LYS 255 N 0.52 0.64 -0.57 0.00 1.79 -1.92 -1.38 116.57 115.65 3mhg h LYS 255 Ca 0.35 -0.12 -0.07 0.00 -2.18 0.00 0.00 60.65 58.63 3mhg h LYS 255 Cb 0.43 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.95 3mhg h LYS 255 CO -0.31 0.59 0.07 1.25 -1.08 0.00 0.00 179.45 179.97 3mhg h LEU 256 N 0.55 0.93 -0.64 2.94 5.85 -1.84 -2.06 115.31 121.04 3mhg h LEU 256 Ca 0.14 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 3mhg h LEU 256 Cb 0.19 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 3mhg h LEU 256 CO -0.01 0.97 0.39 0.15 -0.34 0.00 0.00 178.44 179.61 3mhg h PHE 257 N 0.86 0.83 -0.54 1.25 3.57 -1.05 0.33 116.94 122.18 3mhg h PHE 257 Ca 0.17 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 3mhg h PHE 257 Cb 0.45 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 3mhg h PHE 257 CO 0.03 0.55 0.31 1.96 -2.23 0.00 0.00 178.31 178.94 3mhg h GLN 258 N 0.86 0.74 -0.25 1.11 4.20 -1.05 -1.69 115.11 119.03 3mhg h GLN 258 Ca 0.23 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.80 3mhg h GLN 258 Cb -0.05 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 3mhg h GLN 258 CO -0.05 0.55 -0.12 -0.44 -0.67 0.00 0.00 178.83 178.11 3mhg h ASP 259 N 0.73 0.40 -0.68 1.46 3.32 -1.06 -2.49 116.42 118.09 3mhg h ASP 259 Ca 0.19 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 3mhg h ASP 259 Cb 0.01 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 3mhg h ASP 259 CO -0.03 0.55 0.20 0.74 -1.72 0.00 0.00 179.24 178.97 3mhg h THR 260 N 0.39 1.26 -0.55 0.35 2.02 -0.31 -0.35 112.91 115.71 3mhg h THR 260 Ca 0.08 -0.91 -0.07 0.00 0.77 0.00 0.00 66.41 66.28 3mhg h THR 260 Cb 0.45 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 3mhg h THR 260 CO 0.03 0.35 0.07 -0.07 0.37 0.00 0.00 175.52 176.27 3mhg h LEU 261 N 1.01 0.89 -0.34 2.58 3.38 -1.06 0.92 115.31 122.70 3mhg h LEU 261 Ca 0.22 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3mhg h LEU 261 Cb 0.33 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3mhg h LEU 261 CO -0.00 0.94 0.22 0.58 0.09 0.00 0.00 178.44 180.26 3mhg h VAL 262 N 0.81 1.08 -0.78 1.22 2.07 -1.21 -2.09 116.25 117.35 3mhg h VAL 262 Ca 0.16 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 3mhg h VAL 262 Cb 0.44 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3mhg h VAL 262 CO 0.01 0.08 0.31 0.15 0.02 0.00 0.00 177.57 178.15 3mhg h PHE 263 N 0.45 1.18 0.07 1.57 3.57 -0.77 -1.50 116.94 121.51 3mhg h PHE 263 Ca 0.12 -0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.55 3mhg h PHE 263 Cb -0.05 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.32 3mhg h PHE 263 CO -0.05 0.89 -0.14 0.00 -2.23 0.00 0.00 178.31 176.78 3mhg h ALA 264 N 1.16 -0.22 -0.58 2.41 0.00 -0.59 -1.07 119.26 120.36 3mhg h ALA 264 Ca 0.26 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3mhg h ALA 264 Cb 0.21 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3mhg h ALA 264 CO -0.02 -0.66 0.29 0.00 0.00 0.00 0.00 179.25 178.86 3mhg h ALA 265 N 0.61 0.75 -0.50 0.00 0.00 -1.23 -1.27 119.26 117.62 3mhg h ALA 265 Ca 0.02 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.82 3mhg h ALA 265 Cb 0.29 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3mhg h ALA 265 CO -0.08 0.30 0.33 0.93 0.00 0.00 0.00 179.25 180.73 3mhg h GLU 266 N 0.79 0.65 0.00 0.00 5.08 -1.09 -2.28 114.58 117.73 3mhg h GLU 266 Ca 0.20 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 3mhg h GLU 266 Cb 0.10 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 3mhg h GLU 266 CO -0.03 0.43 -0.05 0.77 -1.00 0.00 0.00 179.01 179.14 3mhg h SER 267 N 0.67 0.00 0.00 1.42 0.02 -0.49 -3.47 113.55 111.70 3mhg h SER 267 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3mhg h SER 267 Cb -0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.47 3mhg h SER 267 CO -0.04 0.05 0.00 0.61 -1.14 0.00 0.00 176.83 176.31 3mhg n GLY 268 N 0.84 1.22 3.70 -3.77 0.00 -0.86 -4.64 105.19 101.69 3mhg n GLY 268 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3mhg n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mhg s ALA 269 N -2.00 3.53 -1.00 4.61 0.00 -0.55 -4.87 121.76 121.48 3mhg s ALA 269 Ca 0.00 0.91 -0.01 0.00 0.00 0.00 0.00 51.96 52.86 3mhg s ALA 269 Cb 0.00 -3.54 0.32 0.00 0.00 0.00 0.00 23.12 19.91 3mhg s ALA 269 CO 0.00 -0.71 1.81 1.63 0.00 0.00 0.00 175.76 178.50 3mhg n LYS 270 N 4.64 5.14 -2.24 0.00 4.01 -1.26 -4.30 118.16 124.15 3mhg n LYS 270 Ca 0.11 -4.58 -0.34 0.00 -0.51 0.00 0.00 58.31 53.00 3mhg n LYS 270 Cb 0.44 -2.44 -0.00 0.00 -0.51 0.00 0.00 35.03 32.51 3mhg n LYS 270 CO 0.00 0.00 0.00 -0.59 -1.11 0.00 0.00 177.40 175.70 3mhg s PHE 271 N -4.28 2.91 -0.22 2.13 -0.12 -1.26 -4.73 117.98 112.42 3mhg s PHE 271 Ca 0.41 1.54 0.15 0.00 -0.05 0.00 0.00 56.93 58.97 3mhg s PHE 271 Cb 0.22 -3.08 0.56 0.00 -0.63 0.00 0.00 43.02 40.08 3mhg s PHE 271 CO -0.16 -1.12 1.49 0.09 -0.05 0.00 0.00 175.22 175.47 3mhg n ASN 272 N -1.56 3.82 0.00 1.98 4.13 -0.03 -0.91 115.26 122.70 3mhg n ASN 272 Ca 0.09 -3.17 0.00 0.00 1.68 0.00 0.00 54.58 53.18 3mhg n ASN 272 Cb 0.52 -0.59 0.00 0.00 -1.54 0.00 0.00 39.78 38.17 3mhg n ASN 272 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3mhg n GLY 273 N -0.54 0.79 3.10 7.41 0.00 -1.26 -1.27 105.19 113.42 3mhg n GLY 273 Ca 0.26 -2.06 -0.09 0.00 0.00 0.00 0.00 46.02 44.12 3mhg n GLY 273 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mhg s VAL 274 N -1.65 0.13 -0.55 1.61 -7.23 0.69 -1.98 120.40 111.42 3mhg s VAL 274 Ca 0.00 -1.07 0.02 0.00 -1.81 0.00 0.00 61.98 59.12 3mhg s VAL 274 Cb 0.00 -0.83 0.14 0.00 0.56 0.00 0.00 36.38 36.25 3mhg s VAL 274 CO 0.00 -0.59 0.32 -0.76 -0.31 0.00 0.00 175.10 173.76 3mhg s LEU 275 N -2.04 4.58 -0.22 1.32 1.43 -0.53 -1.81 118.68 121.42 3mhg s LEU 275 Ca -0.06 -2.99 -0.06 0.00 -1.03 0.00 0.00 54.13 49.99 3mhg s LEU 275 Cb -0.02 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 3mhg s LEU 275 CO -0.04 -0.27 0.04 0.00 0.23 0.00 0.00 176.35 176.31 3mhg n GLY 277 N 4.48 0.17 0.26 0.00 0.00 -1.26 -1.60 105.19 107.25 3mhg n GLY 277 Ca -0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.82 3mhg n GLY 277 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3mhg h ARG 278 N 0.00 0.77 -0.16 1.61 3.08 -1.95 0.34 114.38 118.07 3mhg h ARG 278 Ca 0.00 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.05 3mhg h ARG 278 Cb 0.00 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 3mhg h ARG 278 CO 0.00 0.51 0.35 0.00 -1.07 0.00 0.00 179.97 179.76 3mhg h ALA 279 N 1.30 1.65 0.00 0.04 0.00 -1.86 -0.80 119.26 119.60 3mhg h ALA 279 Ca 0.28 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.85 3mhg h ALA 279 Cb 0.06 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3mhg h ALA 279 CO -0.12 -0.44 -1.86 2.41 0.00 0.00 0.00 179.25 179.24 3mhg n THR 280 N -3.27 1.53 0.54 0.00 -1.04 0.05 -4.15 114.28 107.93 3mhg n THR 280 Ca 0.02 -0.19 0.06 0.00 -2.04 0.00 0.00 64.05 61.90 3mhg n THR 280 Cb 0.45 -1.99 0.02 0.00 -1.82 0.00 0.00 70.33 67.00 3mhg n THR 280 CO 0.00 0.00 0.00 -2.67 -0.64 0.00 0.00 175.07 171.76 3mhg n TRP 281 N -4.35 0.00 -0.32 -1.42 4.27 -0.83 -4.66 117.44 110.13 3mhg n TRP 281 Ca -0.42 0.00 0.16 0.00 -3.89 0.00 0.00 57.50 53.36 3mhg n TRP 281 Cb 0.76 0.00 0.41 0.00 -1.36 0.00 0.00 31.31 31.12 3mhg n TRP 281 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3mhg h ALA 282 N 2.29 1.92 0.00 -1.67 0.00 -1.35 -0.28 119.26 120.17 3mhg h ALA 282 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3mhg h ALA 282 Cb 0.47 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3mhg h ALA 282 CO 0.00 -0.28 0.00 0.78 0.00 0.00 0.00 179.25 179.75 3mhg h GLY 283 N 0.60 0.00 2.00 0.00 0.00 -1.83 -2.90 103.07 100.95 3mhg h GLY 283 Ca 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.85 3mhg h GLY 283 CO -0.31 0.00 -0.16 1.48 0.00 0.00 0.00 176.54 177.54 3mhg h SER 284 N 0.00 0.00 0.39 0.19 4.64 -1.38 -3.35 113.55 114.04 3mhg h SER 284 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3mhg h SER 284 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3mhg h SER 284 CO 0.00 0.16 -0.19 0.58 -0.87 0.00 0.00 176.83 176.51 3mhg h VAL 285 N 0.00 0.61 -0.52 0.95 2.07 -1.63 0.17 116.25 117.89 3mhg h VAL 285 Ca -0.00 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 67.33 3mhg h VAL 285 Cb 0.82 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 3mhg h VAL 285 CO 0.02 0.04 0.28 0.50 0.02 0.00 0.00 177.57 178.43 3mhg h LYS 286 N -0.66 0.53 -0.31 1.57 3.64 -1.78 -1.00 116.57 118.55 3mhg h LYS 286 Ca -0.05 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.32 3mhg h LYS 286 Cb 0.48 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 3mhg h LYS 286 CO 0.09 0.35 0.12 0.28 -2.27 0.00 0.00 179.45 178.02 3mhg h VAL 287 N 0.54 0.94 -0.66 2.00 2.07 -1.67 -0.33 116.25 119.14 3mhg h VAL 287 Ca 0.23 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.66 3mhg h VAL 287 Cb 0.11 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3mhg h VAL 287 CO -0.14 0.05 0.43 0.22 0.02 0.00 0.00 177.57 178.15 3mhg h TYR 288 N 0.27 0.82 -0.07 1.57 3.20 -0.26 0.11 116.97 122.61 3mhg h TYR 288 Ca 0.14 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.93 3mhg h TYR 288 Cb 0.09 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.09 3mhg h TYR 288 CO -0.12 0.51 -0.33 0.82 -1.64 0.00 0.00 178.16 177.39 3mhg h ILE 289 N 0.88 1.42 0.00 1.81 1.08 -0.99 -0.60 117.51 121.11 3mhg h ILE 289 Ca 0.25 -1.73 -0.19 0.00 -0.39 0.00 0.00 64.86 62.79 3mhg h ILE 289 Cb -0.09 2.32 -0.03 0.00 -3.07 0.00 0.00 36.82 35.95 3mhg h ILE 289 CO -0.06 0.50 -0.91 -0.33 -0.69 0.00 0.00 178.15 176.66 3mhg h GLU 290 N -0.13 0.00 0.00 2.37 5.08 -1.02 -3.39 114.58 117.49 3mhg h GLU 290 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3mhg h GLU 290 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 3mhg h GLU 290 CO 0.07 0.91 -0.25 0.39 -1.00 0.00 0.00 179.01 179.13 3mhg n GLU 291 N -3.35 4.51 0.00 2.33 1.02 0.37 -5.08 120.64 120.44 3mhg n GLU 291 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3mhg n GLU 291 Cb 0.90 -0.58 0.00 0.00 -0.02 0.00 0.00 31.44 31.74 3mhg n GLU 291 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mhg n GLY 292 N 1.24 0.90 0.07 0.62 0.00 -0.23 -4.46 105.19 103.32 3mhg n GLY 292 Ca 0.00 -2.07 -0.11 0.00 0.00 0.00 0.00 46.02 43.84 3mhg n GLY 292 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mhg h PRO 293 N 0.00 -0.01 -0.96 1.61 0.13 -1.89 -1.16 132.00 129.72 3mhg h PRO 293 Ca 0.00 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.19 3mhg h PRO 293 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 3mhg h PRO 293 CO 0.00 -0.01 0.61 0.37 -0.23 0.00 0.00 178.00 178.75 3mhg h GLN 294 N -0.01 1.09 -0.41 0.86 5.75 -1.96 0.46 115.11 120.89 3mhg h GLN 294 Ca 0.03 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.42 3mhg h GLN 294 Cb 0.06 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 28.35 3mhg h GLN 294 CO -0.07 0.72 0.08 0.00 -2.65 0.00 0.00 178.83 176.90 3mhg h ALA 295 N 1.43 0.54 -0.94 3.38 0.00 -1.73 -1.74 119.26 120.21 3mhg h ALA 295 Ca 0.41 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3mhg h ALA 295 Cb 0.15 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3mhg h ALA 295 CO -0.17 0.25 0.57 0.00 0.00 0.00 0.00 179.25 179.90 3mhg h ALA 296 N 0.94 1.23 -0.62 0.00 0.00 0.16 -1.48 119.26 119.48 3mhg h ALA 296 Ca 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3mhg h ALA 296 Cb 0.35 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3mhg h ALA 296 CO 0.01 0.66 0.34 -0.09 0.00 0.00 0.00 179.25 180.17 3mhg h ARG 297 N 1.30 0.87 -0.17 0.00 2.43 0.07 -0.64 114.38 118.24 3mhg h ARG 297 Ca 0.34 -0.11 0.04 0.00 -0.81 0.00 0.00 59.98 59.45 3mhg h ARG 297 Cb -0.06 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 29.27 3mhg h ARG 297 CO -0.06 0.67 -0.13 0.93 -1.51 0.00 0.00 179.97 179.87 3mhg h GLU 298 N 0.85 -0.13 -0.88 0.20 4.39 -0.71 -0.33 114.58 117.96 3mhg h GLU 298 Ca 0.22 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.95 3mhg h GLU 298 Cb 0.05 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.68 3mhg h GLU 298 CO -0.03 -0.09 0.58 2.35 -1.16 0.00 0.00 179.01 180.66 3mhg h TRP 299 N -0.13 1.08 -0.31 4.33 7.01 -0.88 -2.41 115.95 124.65 3mhg h TRP 299 Ca 0.10 0.03 -0.11 0.00 2.11 0.00 0.00 58.89 61.02 3mhg h TRP 299 Cb 0.28 -0.36 -0.01 0.00 -2.10 0.00 0.00 29.16 26.97 3mhg h TRP 299 CO -0.26 0.64 -0.26 -0.07 -2.79 0.00 0.00 178.44 175.70 3mhg h LEU 300 N 1.14 0.63 -0.58 0.65 3.38 -0.59 0.14 115.31 120.08 3mhg h LEU 300 Ca 0.34 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3mhg h LEU 300 Cb -0.04 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.54 3mhg h LEU 300 CO -0.10 0.87 0.00 0.03 0.09 0.00 0.00 178.44 179.33 3mhg h ARG 301 N 0.54 0.00 0.00 1.13 3.08 -0.63 -0.28 114.38 118.22 3mhg h ARG 301 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3mhg h ARG 301 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 3mhg h ARG 301 CO 0.06 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.21 3mhg n THR 302 N -2.53 0.00 -0.24 2.04 -2.24 -0.95 -4.48 114.28 105.88 3mhg n THR 302 Ca 0.03 0.03 -0.08 0.00 -2.27 0.00 0.00 64.05 61.76 3mhg n THR 302 Cb 0.34 -0.74 0.05 0.00 -2.10 0.00 0.00 70.33 67.87 3mhg n THR 302 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3mhg h GLU 303 N 0.00 1.12 -0.01 -0.78 4.39 -1.27 -1.18 114.58 116.86 3mhg h GLU 303 Ca 0.00 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.41 3mhg h GLU 303 Cb 0.00 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.51 3mhg h GLU 303 CO 0.00 1.01 0.00 0.78 -1.16 0.00 0.00 179.01 179.64 3mhg h GLY 304 N 1.07 0.01 1.01 -3.84 0.00 -0.81 -1.30 103.07 99.21 3mhg h GLY 304 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3mhg h GLY 304 CO 0.01 0.00 0.51 -2.75 0.00 0.00 0.00 176.54 174.31 3mhg h PHE 305 N -0.11 1.04 -0.69 5.60 3.57 -0.98 -2.07 116.94 123.31 3mhg h PHE 305 Ca 0.00 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.53 3mhg h PHE 305 Cb 0.12 -0.35 -0.04 0.00 2.79 0.00 0.00 35.95 38.47 3mhg h PHE 305 CO -0.04 0.68 0.44 0.87 -2.23 0.00 0.00 178.31 178.03 3mhg h LYS 306 N 1.10 0.85 -0.01 1.11 1.57 -1.04 0.29 116.57 120.44 3mhg h LYS 306 Ca 0.29 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 59.04 3mhg h LYS 306 Cb -0.08 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.01 3mhg h LYS 306 CO -0.06 0.56 -0.15 -0.91 -0.57 0.00 0.00 179.45 178.32 3mhg h ASN 307 N 0.88 -0.44 0.88 0.86 2.35 -0.70 -0.75 115.58 118.66 3mhg h ASN 307 Ca 0.27 0.07 -0.15 0.00 -0.55 0.00 0.00 56.30 55.94 3mhg h ASN 307 Cb -0.03 0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 3mhg h ASN 307 CO -0.09 -0.21 -0.71 -0.29 -1.65 0.00 0.00 177.43 174.48 3mhg h ILE 308 N -0.25 1.40 -0.19 2.81 2.10 -1.09 -1.91 117.51 120.38 3mhg h ILE 308 Ca 0.05 -2.52 -0.04 0.00 1.08 0.00 0.00 64.86 63.43 3mhg h ILE 308 Cb 0.32 2.40 -0.01 0.00 -1.09 0.00 0.00 36.82 38.44 3mhg h ILE 308 CO -0.15 0.70 -0.05 -0.78 -1.08 0.00 0.00 178.15 176.78 3mhg h ASP 309 N 0.00 0.38 -0.67 2.19 3.58 -0.29 -0.89 116.42 120.72 3mhg h ASP 309 Ca -0.01 -0.38 -0.08 0.00 0.42 0.00 0.00 57.03 56.99 3mhg h ASP 309 Cb 1.34 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 42.26 3mhg h ASP 309 CO 0.09 0.67 0.12 -0.33 -2.88 0.00 0.00 179.24 176.91 3mhg h GLU 310 N 0.08 1.10 -0.18 0.28 5.08 -1.10 -1.78 114.58 118.06 3mhg h GLU 310 Ca 0.05 -0.29 0.03 0.00 -1.00 0.00 0.00 59.36 58.15 3mhg h GLU 310 Cb 0.51 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 3mhg h GLU 310 CO 0.02 1.00 -0.02 1.25 -1.00 0.00 0.00 179.01 180.26 3mhg h LEU 311 N 1.04 -0.11 -1.13 1.33 5.85 -1.29 -2.10 115.31 118.89 3mhg h LEU 311 Ca 0.21 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.99 3mhg h LEU 311 Cb 0.42 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 3mhg h LEU 311 CO 0.01 -0.03 0.59 0.78 -0.34 0.00 0.00 178.44 179.45 3mhg h ASN 312 N 0.04 1.00 -0.66 1.25 2.35 -0.82 0.76 115.58 119.50 3mhg h ASN 312 Ca 0.09 -0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.78 3mhg h ASN 312 Cb 0.12 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 3mhg h ASN 312 CO -0.16 0.71 0.26 0.11 -1.65 0.00 0.00 177.43 176.70 3mhg h LYS 313 N 1.18 1.00 -0.51 0.81 1.57 -1.05 -0.74 116.57 118.81 3mhg h LYS 313 Ca 0.34 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.86 3mhg h LYS 313 Cb -0.08 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 3mhg h LYS 313 CO -0.08 0.84 0.04 0.28 -0.57 0.00 0.00 179.45 179.95 3mhg h VAL 314 N 0.94 1.26 -0.70 0.50 2.07 -0.66 -2.93 116.25 116.73 3mhg h VAL 314 Ca 0.22 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 3mhg h VAL 314 Cb 0.21 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3mhg h VAL 314 CO -0.02 0.36 0.43 -0.07 0.02 0.00 0.00 177.57 178.29 3mhg h LEU 315 N 0.74 0.83 -1.93 2.57 3.38 -0.55 -2.11 115.31 118.23 3mhg h LEU 315 Ca 0.15 -0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.20 3mhg h LEU 315 Cb 0.46 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3mhg h LEU 315 CO 0.02 0.63 0.32 0.44 0.09 0.00 0.00 178.44 179.93 3mhg h ASP 316 N 0.96 0.07 -0.14 -0.43 3.32 -0.95 -1.57 116.42 117.68 3mhg h ASP 316 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3mhg h ASP 316 Cb -0.05 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3mhg h ASP 316 CO -0.05 0.04 0.00 2.29 -1.72 0.00 0.00 179.24 179.80 3mhg n LYS 317 N -4.43 2.53 0.00 3.56 0.00 -0.90 -4.75 118.16 114.17 3mhg n LYS 317 Ca 0.07 -2.17 0.00 0.00 -0.00 0.00 0.00 58.31 56.21 3mhg n LYS 317 Cb 0.47 -1.36 0.00 0.00 -0.00 0.00 0.00 35.03 34.14 3mhg n LYS 317 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 3mhg n THR 318 N -0.49 0.00 -2.62 0.58 -2.24 -0.84 -5.05 114.28 103.61 3mhg n THR 318 Ca 0.11 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.53 3mhg n THR 318 Cb 0.52 -0.34 -0.05 0.00 -2.10 0.00 0.00 70.33 68.36 3mhg n THR 318 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mhg s ALA 319 N -1.67 3.08 -0.02 6.98 0.00 -0.63 -4.74 121.76 124.77 3mhg s ALA 319 Ca 0.00 0.63 -0.00 0.00 0.00 0.00 0.00 51.96 52.58 3mhg s ALA 319 Cb 0.00 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 3mhg s ALA 319 CO 0.00 -0.12 0.03 -1.12 0.00 0.00 0.00 175.76 174.56 3mhg s SER 320 N -1.69 5.38 0.27 0.00 0.01 -0.09 -4.95 113.70 112.64 3mhg s SER 320 Ca 0.58 0.09 -0.29 0.00 1.31 0.00 0.00 55.95 57.64 3mhg s SER 320 Cb -0.19 -1.49 -0.10 0.00 0.21 0.00 0.00 66.02 64.45 3mhg s SER 320 CO 0.24 0.30 1.23 -2.16 0.41 0.00 0.00 173.24 173.26 3mhg s PRO 321 N -1.49 4.47 0.33 12.44 0.05 -1.26 -4.03 135.00 145.51 3mhg s PRO 321 Ca 0.19 2.02 0.26 0.00 0.05 0.00 0.00 61.00 63.52 3mhg s PRO 321 Cb -0.12 -3.15 1.09 0.00 0.05 0.00 0.00 34.50 32.38 3mhg s PRO 321 CO 0.10 -0.06 1.78 0.11 0.05 0.00 0.00 177.00 178.98 3mhg h TRP 322 N 4.11 0.00 0.00 0.56 5.08 -0.80 -2.99 115.95 121.91 3mhg h TRP 322 Ca -0.47 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.50 3mhg h TRP 322 Cb 1.22 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.38 3mhg h TRP 322 CO 0.59 0.00 0.00 1.79 -1.28 0.00 0.00 178.44 179.54 3mhg h THR 323 N 0.00 0.00 -0.54 0.12 1.35 -1.91 0.58 112.91 112.51 3mhg h THR 323 Ca 0.00 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 3mhg h THR 323 Cb 0.39 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 3mhg h THR 323 CO 0.00 0.00 0.00 -1.84 -0.25 0.00 0.00 175.52 173.43 3mhg n GLU 324 N -2.66 3.49 0.00 4.72 0.28 -1.13 -5.08 120.64 120.26 3mhg n GLU 324 Ca -0.01 -2.75 0.00 0.00 -0.16 0.00 0.00 57.16 54.24 3mhg n GLU 324 Cb 0.12 -1.79 0.00 0.00 1.43 0.00 0.00 31.44 31.20 3mhg n GLU 324 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3mhg n LYS 325 N 0.76 0.00 -0.19 3.44 4.76 0.20 -5.11 118.16 122.02 3mhg n LYS 325 Ca 0.23 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.67 3mhg n LYS 325 Cb 0.82 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.01 3mhg n LYS 325 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91