#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mhg s THR 3 N 0.00 0.16 0.09 1.39 -4.23 -1.26 -5.13 115.64 106.65 3mhg s THR 3 Ca 0.00 0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.28 3mhg s THR 3 Cb 0.00 -0.54 -0.07 0.00 1.34 0.00 0.00 72.50 73.24 3mhg s THR 3 CO 0.00 0.01 0.68 -0.76 -0.54 0.00 0.00 174.62 174.02 3mhg s LEU 4 N 2.05 4.52 1.08 4.79 1.43 -1.26 -5.07 118.68 126.22 3mhg s LEU 4 Ca 0.03 1.42 -0.12 0.00 -1.03 0.00 0.00 54.13 54.43 3mhg s LEU 4 Cb -0.14 -3.10 0.24 0.00 0.03 0.00 0.00 46.19 43.21 3mhg s LEU 4 CO -0.06 0.18 1.06 0.42 0.23 0.00 0.00 176.35 178.17 3mhg s THR 5 N -0.77 2.10 0.14 5.49 -4.23 -1.26 -4.73 115.64 112.38 3mhg s THR 5 Ca 0.33 0.03 -0.19 0.00 -1.18 0.00 0.00 61.69 60.68 3mhg s THR 5 Cb -0.21 -2.18 0.01 0.00 1.34 0.00 0.00 72.50 71.46 3mhg s THR 5 CO 0.22 -0.04 1.69 -0.08 -0.54 0.00 0.00 174.62 175.86 3mhg h GLU 6 N -2.33 -0.03 -0.51 3.99 4.81 -1.99 -1.06 114.58 117.45 3mhg h GLU 6 Ca -0.57 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.55 3mhg h GLU 6 Cb 1.32 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.69 3mhg h GLU 6 CO 0.50 -0.02 -0.13 -0.91 -0.73 0.00 0.00 179.01 177.72 3mhg h ASN 7 N -0.03 0.97 -0.72 1.04 4.21 -1.92 -1.96 115.58 117.16 3mhg h ASN 7 Ca 0.13 -0.32 -0.06 0.00 1.21 0.00 0.00 56.30 57.25 3mhg h ASN 7 Cb 0.22 -0.26 -0.03 0.00 -1.12 0.00 0.00 38.32 37.13 3mhg h ASN 7 CO -0.28 1.10 0.22 0.11 -1.29 0.00 0.00 177.43 177.29 3mhg h LYS 8 N 0.86 1.14 -0.04 0.81 1.57 -1.70 -1.42 116.57 117.79 3mhg h LYS 8 Ca 0.13 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3mhg h LYS 8 Cb 0.68 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 3mhg h LYS 8 CO 0.05 0.97 0.02 -0.09 -0.57 0.00 0.00 179.45 179.83 3mhg h ARG 9 N 1.09 0.06 -0.81 3.15 2.43 -1.02 0.12 114.38 119.39 3mhg h ARG 9 Ca 0.24 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.48 3mhg h ARG 9 Cb 0.31 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.78 3mhg h ARG 9 CO -0.01 0.16 0.48 0.87 -1.51 0.00 0.00 179.97 179.96 3mhg h LYS 10 N -0.05 0.80 -0.53 0.20 1.57 -1.21 -0.29 116.57 117.06 3mhg h LYS 10 Ca 0.01 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 3mhg h LYS 10 Cb 0.12 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3mhg h LYS 10 CO -0.00 0.53 -0.03 0.77 -0.57 0.00 0.00 179.45 180.15 3mhg h SER 11 N 0.83 0.94 -0.95 0.86 0.02 -1.03 -1.76 113.55 112.46 3mhg h SER 11 Ca 0.38 -0.32 0.03 0.00 -0.84 0.00 0.00 61.79 61.04 3mhg h SER 11 Cb 0.29 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.52 3mhg h SER 11 CO -0.22 1.03 0.62 0.24 -1.14 0.00 0.00 176.83 177.37 3mhg h MET 12 N 0.83 1.18 -0.37 3.45 2.86 -0.26 -2.14 114.93 120.48 3mhg h MET 12 Ca 0.15 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.62 3mhg h MET 12 Cb 0.57 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 3mhg h MET 12 CO 0.03 0.78 -0.18 0.93 1.06 0.00 0.00 176.91 179.54 3mhg h GLU 13 N 1.22 0.69 0.00 1.72 5.08 -0.79 -2.44 114.58 120.06 3mhg h GLU 13 Ca 0.37 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3mhg h GLU 13 Cb -0.03 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3mhg h GLU 13 CO -0.11 0.83 0.00 0.87 -1.00 0.00 0.00 179.01 179.60 3mhg h LYS 14 N 0.62 0.00 -0.00 2.33 1.57 -0.70 -2.72 116.57 117.66 3mhg h LYS 14 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3mhg h LYS 14 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 3mhg h LYS 14 CO 0.05 0.00 -0.56 1.28 -0.57 0.00 0.00 179.45 179.65 3mhg n LEU 15 N -2.66 1.05 -4.37 2.94 4.77 -0.89 -2.66 117.00 115.17 3mhg n LEU 15 Ca 0.01 -0.33 -0.22 0.00 -0.03 0.00 0.00 56.01 55.44 3mhg n LEU 15 Cb 0.24 -0.11 -0.08 0.00 -2.33 0.00 0.00 43.42 41.15 3mhg n LEU 15 CO 0.23 0.22 -0.13 -0.94 -1.33 0.00 0.00 177.39 175.43 3mhg s SER 16 N -2.77 2.13 -0.10 -1.43 1.04 -1.02 -4.04 113.70 107.51 3mhg s SER 16 Ca 0.15 -1.75 -0.01 0.00 0.48 0.00 0.00 55.95 54.82 3mhg s SER 16 Cb 0.18 0.57 0.03 0.00 0.10 0.00 0.00 66.02 66.90 3mhg s SER 16 CO 0.67 -1.04 -0.00 -0.69 0.98 0.00 0.00 173.24 173.16 3mhg s VAL 17 N -3.34 0.49 -1.42 5.02 1.01 -0.07 -4.83 120.40 117.25 3mhg s VAL 17 Ca 0.34 -0.05 -0.09 0.00 0.00 0.00 0.00 61.98 62.18 3mhg s VAL 17 Cb 0.02 -0.69 0.04 0.00 0.00 0.00 0.00 36.38 35.75 3mhg s VAL 17 CO 0.23 0.19 0.99 0.47 0.00 0.00 0.00 175.10 176.98 3mhg n ASP 18 N 5.10 -4.33 0.00 3.32 8.00 -1.26 -1.60 116.55 125.78 3mhg n ASP 18 Ca -0.08 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 54.71 3mhg n ASP 18 Cb 0.49 -4.31 0.00 0.00 -0.02 0.00 0.00 41.12 37.29 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 -1.71 0.59 3.33 0.44 0.00 -1.26 -4.71 105.19 101.87 3mhg n GLY 19 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.53 2.95 -0.51 1.61 1.01 -0.63 0.00 120.40 122.30 3mhg s VAL 20 Ca 0.00 -0.68 -0.22 0.00 0.00 0.00 0.00 61.98 61.07 3mhg s VAL 20 Cb 0.00 -2.25 0.04 0.00 0.00 0.00 0.00 36.38 34.17 3mhg s VAL 20 CO 0.00 0.51 0.81 -0.63 0.00 0.00 0.00 175.10 175.80 3mhg s ILE 21 N 0.59 4.59 -0.78 2.22 1.01 -0.37 -0.89 121.20 127.56 3mhg s ILE 21 Ca -0.08 0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.72 3mhg s ILE 21 Cb -0.16 -4.41 0.26 0.00 0.01 0.00 0.00 42.46 38.16 3mhg s ILE 21 CO 0.03 -0.92 0.95 -1.54 0.00 0.00 0.00 174.94 173.46 3mhg n SER 22 N 6.91 4.51 -4.90 3.58 3.41 -1.26 -0.38 113.62 125.49 3mhg n SER 22 Ca -0.00 -3.42 -0.33 0.00 -0.26 0.00 0.00 58.87 54.86 3mhg n SER 22 Cb 0.47 -0.86 -0.05 0.00 -0.26 0.00 0.00 64.21 63.52 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 -2.49 3.89 -0.23 7.33 0.00 -0.78 -0.77 121.76 128.71 3mhg s ALA 23 Ca 0.36 -0.66 -0.12 0.00 0.00 0.00 0.00 51.96 51.55 3mhg s ALA 23 Cb 0.11 -2.00 -0.05 0.00 0.00 0.00 0.00 23.12 21.18 3mhg s ALA 23 CO 0.01 0.71 0.21 -1.17 0.00 0.00 0.00 175.76 175.51 3mhg s LEU 24 N -2.09 4.13 -0.22 0.00 2.96 0.07 -2.03 118.68 121.51 3mhg s LEU 24 Ca 0.31 0.21 -0.09 0.00 -0.22 0.00 0.00 54.13 54.34 3mhg s LEU 24 Cb -0.13 -2.19 -0.05 0.00 0.50 0.00 0.00 46.19 44.33 3mhg s LEU 24 CO 0.20 0.05 0.12 0.00 -1.32 0.00 0.00 176.35 175.40 3mhg s ALA 25 N 1.04 3.52 -0.40 5.97 0.00 -0.57 -0.40 121.76 130.93 3mhg s ALA 25 Ca 0.10 -0.83 0.10 0.00 0.00 0.00 0.00 51.96 51.32 3mhg s ALA 25 Cb -0.14 -2.16 0.38 0.00 0.00 0.00 0.00 23.12 21.21 3mhg s ALA 25 CO 0.05 -0.05 1.19 0.34 0.00 0.00 0.00 175.76 177.28 3mhg n PHE 26 N 3.99 -1.85 -0.15 0.00 -0.00 0.40 -4.05 117.46 115.80 3mhg n PHE 26 Ca -0.16 -2.25 0.10 0.00 -0.00 0.00 0.00 57.45 55.15 3mhg n PHE 26 Cb 0.52 1.17 0.25 0.00 -0.00 0.00 0.00 39.48 41.42 3mhg n PHE 26 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 3mhg n ASP 27 N -0.20 3.57 -4.73 -2.13 3.85 -1.19 -4.22 116.55 111.49 3mhg n ASP 27 Ca 0.03 -1.98 -0.42 0.00 -0.71 0.00 0.00 54.79 51.71 3mhg n ASP 27 Cb 0.79 -0.37 -0.02 0.00 -1.35 0.00 0.00 41.12 40.17 3mhg n ASP 27 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3mhg n GLN 28 N 1.34 2.61 0.00 0.11 3.00 -1.26 -4.54 117.38 118.64 3mhg n GLN 28 Ca 0.20 0.93 0.00 0.00 -0.01 0.00 0.00 57.00 58.12 3mhg n GLN 28 Cb 0.57 -2.71 0.00 0.00 0.00 0.00 0.00 30.24 28.09 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 2.59 0.00 -0.17 -1.09 1.74 -1.26 -4.54 116.66 113.93 3mhg n ARG 29 Ca 0.11 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.14 3mhg n ARG 29 Cb 0.35 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.84 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 0.72 0.97 -0.13 0.00 -1.95 0.06 103.07 102.75 3mhg h GLY 30 Ca 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 3mhg h GLY 30 CO 0.00 0.14 0.22 0.00 0.00 0.00 0.00 176.54 176.89 3mhg h ALA 31 N 1.26 0.66 -0.57 3.60 0.00 -1.98 -1.59 119.26 120.64 3mhg h ALA 31 Ca 0.22 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3mhg h ALA 31 Cb 0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3mhg h ALA 31 CO -0.14 0.25 0.36 1.25 0.00 0.00 0.00 179.25 180.97 3mhg h LEU 32 N 0.68 0.68 -0.66 0.00 5.85 -1.71 -1.53 115.31 118.62 3mhg h LEU 32 Ca 0.17 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 3mhg h LEU 32 Cb 0.17 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3mhg h LEU 32 CO -0.02 0.53 0.41 0.50 -0.34 0.00 0.00 178.44 179.52 3mhg h LYS 33 N 0.78 0.89 -0.63 1.25 3.64 -0.72 -0.91 116.57 120.86 3mhg h LYS 33 Ca 0.21 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.47 3mhg h LYS 33 Cb -0.04 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.56 3mhg h LYS 33 CO -0.04 0.62 0.21 0.00 -2.27 0.00 0.00 179.45 177.97 3mhg h ARG 34 N 0.90 0.95 -0.37 1.90 3.08 -1.05 -1.16 114.38 118.62 3mhg h ARG 34 Ca 0.24 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3mhg h ARG 34 Cb -0.05 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 3mhg h ARG 34 CO -0.05 0.81 0.21 0.52 -1.07 0.00 0.00 179.97 180.39 3mhg h MET 35 N 0.93 0.52 0.00 0.04 2.86 -0.58 -2.72 114.93 115.98 3mhg h MET 35 Ca 0.21 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.73 3mhg h MET 35 Cb 0.24 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 3mhg h MET 35 CO -0.01 0.42 -0.30 0.52 1.06 0.00 0.00 176.91 178.60 3mhg h MET 36 N 0.48 0.00 0.00 1.72 2.86 -0.88 -3.08 114.93 116.03 3mhg h MET 36 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3mhg h MET 36 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 3mhg h MET 36 CO -0.02 0.30 0.00 0.00 1.06 0.00 0.00 176.91 178.24 3mhg n ALA 37 N -2.36 2.06 0.65 6.32 0.00 -0.47 -2.86 120.51 123.85 3mhg n ALA 37 Ca -0.01 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.49 3mhg n ALA 37 Cb 0.39 -1.40 0.27 0.00 0.00 0.00 0.00 19.45 18.71 3mhg n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mhg n GLN 38 N -1.74 2.20 0.00 0.00 10.64 -1.16 -4.09 117.38 123.23 3mhg n GLN 38 Ca 0.05 -1.82 0.00 0.00 -1.83 0.00 0.00 57.00 53.40 3mhg n GLN 38 Cb 0.30 -1.46 0.00 0.00 -0.86 0.00 0.00 30.24 28.22 3mhg n GLN 38 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 3mhg n HIS 39 N 1.03 0.00 -3.87 2.61 8.25 -1.14 -5.06 115.22 117.04 3mhg n HIS 39 Ca 0.18 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.54 3mhg n HIS 39 Cb 0.49 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.52 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 -0.09 0.74 -0.09 -0.41 -2.07 -1.24 -4.72 119.66 111.79 3mhg s GLN 40 Ca 0.00 -0.79 -0.25 0.00 -1.82 0.00 0.00 55.36 52.49 3mhg s GLN 40 Cb 0.00 0.30 -0.21 0.00 -1.09 0.00 0.00 33.01 32.01 3mhg s GLN 40 CO 0.00 -0.22 0.89 1.79 -1.32 0.00 0.00 175.29 176.44 3mhg h THR 41 N 3.20 1.42 -4.18 3.63 1.35 -1.93 -3.46 112.91 112.93 3mhg h THR 41 Ca -0.33 -1.71 -0.51 0.00 -0.55 0.00 0.00 66.41 63.31 3mhg h THR 41 Cb 1.19 2.52 0.10 0.00 -1.73 0.00 0.00 68.15 70.23 3mhg h THR 41 CO 0.52 0.42 0.38 -1.59 -0.25 0.00 0.00 175.52 175.00 3mhg s LYS 42 N -2.99 2.85 0.34 4.72 -2.85 -1.26 -4.97 119.74 115.58 3mhg s LYS 42 Ca -0.16 1.44 -0.29 0.00 -1.00 0.00 0.00 55.97 55.96 3mhg s LYS 42 Cb -0.01 -1.95 -0.11 0.00 -2.06 0.00 0.00 37.83 33.70 3mhg s LYS 42 CO 0.61 -1.22 1.49 -2.00 0.10 0.00 0.00 175.35 174.34 3mhg s GLU 43 N -3.98 4.15 0.29 1.78 2.12 -1.26 -4.93 118.70 116.86 3mhg s GLU 43 Ca 0.68 2.52 -0.30 0.00 0.36 0.00 0.00 54.97 58.23 3mhg s GLU 43 Cb -0.21 -3.00 -0.12 0.00 0.26 0.00 0.00 34.13 31.06 3mhg s GLU 43 CO 0.40 -0.52 1.58 -2.30 -0.54 0.00 0.00 175.26 173.88 3mhg n PRO 44 N 1.04 2.63 -3.41 4.30 -0.02 -1.26 -4.99 135.00 133.29 3mhg n PRO 44 Ca 0.03 0.94 -0.22 0.00 -2.02 0.00 0.00 63.50 62.23 3mhg n PRO 44 Cb 0.39 -2.71 -0.01 0.00 -0.02 0.00 0.00 33.50 31.16 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 0.02 4.63 0.27 3.45 -4.23 -1.26 -5.00 115.64 113.52 3mhg s THR 45 Ca 0.65 -0.69 -0.02 0.00 -1.18 0.00 0.00 61.69 60.45 3mhg s THR 45 Cb -0.51 -3.67 0.27 0.00 1.34 0.00 0.00 72.50 69.92 3mhg s THR 45 CO 0.48 -0.37 1.87 0.58 -0.54 0.00 0.00 174.62 176.64 3mhg h VAL 46 N 0.77 1.05 -0.82 2.29 2.07 -2.00 -2.47 116.25 117.14 3mhg h VAL 46 Ca -0.48 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 66.62 3mhg h VAL 46 Cb 1.24 -0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 3mhg h VAL 46 CO 0.58 0.20 0.36 -0.33 0.02 0.00 0.00 177.57 178.40 3mhg h GLU 47 N 1.11 1.20 -0.27 1.57 3.07 -1.99 -0.59 114.58 118.69 3mhg h GLU 47 Ca 0.44 -0.20 -0.04 0.00 -0.50 0.00 0.00 59.36 59.06 3mhg h GLU 47 Cb 0.23 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 3mhg h GLU 47 CO -0.19 0.95 0.01 1.96 -1.40 0.00 0.00 179.01 180.33 3mhg h GLN 48 N 1.18 0.48 -0.51 2.33 4.20 -1.85 -0.54 115.11 120.39 3mhg h GLN 48 Ca 0.28 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 3mhg h GLN 48 Cb 0.17 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 3mhg h GLN 48 CO -0.03 0.63 0.27 0.82 -0.67 0.00 0.00 178.83 179.85 3mhg h ILE 49 N 0.27 1.18 -0.59 2.54 2.04 -1.21 -1.22 117.51 120.52 3mhg h ILE 49 Ca 0.08 -0.47 -0.08 0.00 1.00 0.00 0.00 64.86 65.39 3mhg h ILE 49 Cb 0.40 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 3mhg h ILE 49 CO 0.01 0.19 0.07 -0.33 0.00 0.00 0.00 178.15 178.09 3mhg h GLU 50 N 0.68 0.99 -0.17 2.37 5.08 -1.05 -2.62 114.58 119.87 3mhg h GLU 50 Ca 0.18 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 3mhg h GLU 50 Cb 0.07 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 3mhg h GLU 50 CO -0.03 0.95 -0.05 1.49 -1.00 0.00 0.00 179.01 180.37 3mhg h GLU 51 N 0.89 0.33 -0.67 2.33 4.81 -0.84 -1.74 114.58 119.69 3mhg h GLU 51 Ca 0.17 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3mhg h GLU 51 Cb 0.46 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 3mhg h GLU 51 CO 0.02 0.61 0.44 1.25 -0.73 0.00 0.00 179.01 180.60 3mhg h LEU 52 N 0.02 0.77 -0.83 1.64 5.85 -1.26 0.76 115.31 122.26 3mhg h LEU 52 Ca 0.04 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.81 3mhg h LEU 52 Cb 0.50 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 3mhg h LEU 52 CO 0.02 0.55 0.51 0.11 -0.34 0.00 0.00 178.44 179.29 3mhg h LYS 53 N 0.90 0.90 -0.41 1.25 1.57 -1.41 -1.62 116.57 117.76 3mhg h LYS 53 Ca 0.25 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.88 3mhg h LYS 53 Cb -0.10 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 31.99 3mhg h LYS 53 CO -0.06 0.59 -0.13 0.77 -0.57 0.00 0.00 179.45 180.05 3mhg h SER 54 N 0.93 0.73 -0.13 0.86 0.02 -0.30 -1.60 113.55 114.06 3mhg h SER 54 Ca 0.37 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 3mhg h SER 54 Cb 0.19 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 3mhg h SER 54 CO -0.18 0.88 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.32 3mhg h LEU 55 N 0.67 0.23 -0.44 5.07 3.38 -0.34 -1.37 115.31 122.51 3mhg h LEU 55 Ca 0.11 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3mhg h LEU 55 Cb 0.61 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3mhg h LEU 55 CO 0.04 0.50 0.29 0.58 0.09 0.00 0.00 178.44 179.93 3mhg h VAL 56 N -0.04 1.12 -0.04 1.22 2.07 -1.29 -1.58 116.25 117.71 3mhg h VAL 56 Ca 0.04 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.34 3mhg h VAL 56 Cb 0.38 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3mhg h VAL 56 CO 0.01 0.11 -0.00 -1.28 0.02 0.00 0.00 177.57 176.43 3mhg h SER 57 N 0.59 -0.02 -0.58 0.57 0.87 -1.20 -1.23 113.55 112.55 3mhg h SER 57 Ca 0.16 0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.62 3mhg h SER 57 Cb -0.06 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 3mhg h SER 57 CO -0.03 -0.00 -0.06 -0.08 -0.53 0.00 0.00 176.83 176.12 3mhg h GLU 58 N 0.01 1.06 0.05 2.24 4.81 -1.13 -2.60 114.58 119.02 3mhg h GLU 58 Ca 0.02 -0.37 -0.26 0.00 -0.13 0.00 0.00 59.36 58.62 3mhg h GLU 58 Cb 0.02 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 3mhg h GLU 58 CO -0.04 1.07 -1.30 0.93 -0.73 0.00 0.00 179.01 178.95 3mhg h GLU 59 N 0.95 0.11 0.00 1.92 4.39 -1.21 -3.40 114.58 117.33 3mhg h GLU 59 Ca 0.16 -0.18 -0.09 0.00 0.34 0.00 0.00 59.36 59.59 3mhg h GLU 59 Cb 0.63 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 3mhg h GLU 59 CO 0.04 0.98 -1.85 1.28 -1.16 0.00 0.00 179.01 178.30 3mhg n LEU 60 N -3.35 0.00 0.27 1.33 4.77 -0.47 -4.56 117.00 114.99 3mhg n LEU 60 Ca -0.08 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.02 3mhg n LEU 60 Cb 1.00 0.12 0.75 0.00 -2.33 0.00 0.00 43.42 42.96 3mhg n LEU 60 CO 0.49 0.12 1.01 0.71 -1.33 0.00 0.00 177.39 178.38 3mhg h THR 61 N 0.00 0.60 0.00 -5.08 1.35 -1.60 0.06 112.91 108.24 3mhg h THR 61 Ca -0.13 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 3mhg h THR 61 Cb 1.13 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 3mhg h THR 61 CO 0.01 0.09 0.03 -2.65 -0.25 0.00 0.00 175.52 172.75 3mhg n PRO 62 N -3.75 0.14 -0.09 4.72 -0.02 -1.26 -1.55 135.00 133.19 3mhg n PRO 62 Ca -0.02 0.64 0.04 0.00 -2.02 0.00 0.00 63.50 62.14 3mhg n PRO 62 Cb 0.20 -1.99 0.09 0.00 -0.02 0.00 0.00 33.50 31.78 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 -2.27 0.24 -4.36 6.00 3.72 0.00 -4.99 117.46 115.80 3mhg n PHE 63 Ca -0.01 -0.35 -0.28 0.00 -0.05 0.00 0.00 57.45 56.75 3mhg n PHE 63 Cb 0.06 -0.02 -0.12 0.00 -0.94 0.00 0.00 39.48 38.46 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 -0.90 2.58 -0.17 4.37 0.00 -0.60 -4.93 121.76 122.12 3mhg s ALA 64 Ca 0.15 -1.49 0.24 0.00 0.00 0.00 0.00 51.96 50.86 3mhg s ALA 64 Cb 0.08 -0.48 0.63 0.00 0.00 0.00 0.00 23.12 23.34 3mhg s ALA 64 CO 0.11 0.51 1.70 0.66 0.00 0.00 0.00 175.76 178.74 3mhg h SER 65 N 3.51 0.00 -5.50 0.00 4.64 -1.22 -3.42 113.55 111.56 3mhg h SER 65 Ca -0.49 0.00 0.23 0.00 -0.47 0.00 0.00 61.79 61.06 3mhg h SER 65 Cb 1.19 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.19 3mhg h SER 65 CO 0.45 0.13 0.62 -0.94 -0.87 0.00 0.00 176.83 176.23 3mhg s SER 66 N -6.14 -0.10 -0.02 4.97 1.04 -1.26 -1.91 113.70 110.30 3mhg s SER 66 Ca 0.04 -0.37 0.02 0.00 0.48 0.00 0.00 55.95 56.12 3mhg s SER 66 Cb 0.07 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.57 3mhg s SER 66 CO 0.65 -0.71 -0.08 -0.51 0.98 0.00 0.00 173.24 173.57 3mhg s ILE 67 N -2.77 0.66 -0.24 -1.02 2.07 -0.49 -0.75 121.20 118.65 3mhg s ILE 67 Ca 0.15 -0.31 -0.10 0.00 -1.41 0.00 0.00 60.65 58.98 3mhg s ILE 67 Cb 0.00 -0.58 -0.05 0.00 0.13 0.00 0.00 42.46 41.97 3mhg s ILE 67 CO 0.01 0.20 0.15 -0.22 -1.91 0.00 0.00 174.94 173.17 3mhg s LEU 68 N 0.09 4.05 0.25 8.50 2.96 0.47 -0.87 118.68 134.12 3mhg s LEU 68 Ca -0.01 0.08 0.04 0.00 -0.22 0.00 0.00 54.13 54.01 3mhg s LEU 68 Cb -0.06 -2.09 -0.05 0.00 0.50 0.00 0.00 46.19 44.48 3mhg s LEU 68 CO 0.00 0.05 0.01 -0.76 -1.32 0.00 0.00 176.35 174.33 3mhg s LEU 69 N 1.14 2.17 -0.03 -0.68 1.43 -0.49 -0.45 118.68 121.77 3mhg s LEU 69 Ca 0.07 -1.26 -0.06 0.00 -1.03 0.00 0.00 54.13 51.86 3mhg s LEU 69 Cb -0.14 -0.30 -0.04 0.00 0.03 0.00 0.00 46.19 45.74 3mhg s LEU 69 CO 0.05 -0.53 0.22 1.51 0.23 0.00 0.00 176.35 177.83 3mhg s ASP 70 N -3.35 6.45 0.55 2.29 1.47 -1.26 -1.03 116.67 121.79 3mhg s ASP 70 Ca 0.31 0.49 0.33 0.00 1.18 0.00 0.00 52.55 54.87 3mhg s ASP 70 Cb 0.06 -2.07 1.40 0.00 -0.34 0.00 0.00 42.92 41.97 3mhg s ASP 70 CO 0.10 0.29 2.00 -0.65 0.68 0.00 0.00 175.17 177.60 3mhg h PRO 71 N 4.19 0.00 -0.11 2.11 0.11 -1.93 0.26 132.00 136.63 3mhg h PRO 71 Ca -0.51 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.48 3mhg h PRO 71 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3mhg h PRO 71 CO 0.65 0.02 -0.41 0.93 -0.21 0.00 0.00 178.00 178.98 3mhg h GLU 72 N 0.00 0.48 0.00 1.05 5.08 -1.94 -3.39 114.58 115.85 3mhg h GLU 72 Ca -0.00 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 3mhg h GLU 72 Cb 0.50 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3mhg h GLU 72 CO 0.00 0.99 -0.65 0.66 -1.00 0.00 0.00 179.01 179.01 3mhg n TYR 73 N -4.31 0.00 1.11 4.33 4.02 -1.23 -4.84 117.16 116.24 3mhg n TYR 73 Ca -0.08 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.94 3mhg n TYR 73 Cb 0.55 -0.02 0.31 0.00 -0.02 0.00 0.00 39.34 40.16 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 1.87 0.64 0.19 2.72 0.00 0.92 -4.42 105.19 107.11 3mhg n GLY 74 Ca -0.00 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 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 3.43 0.59 -0.43 0.99 3.38 -1.77 0.35 115.31 121.85 3mhg h LEU 75 Ca 0.00 -0.40 0.07 0.00 0.09 0.00 0.00 57.88 57.64 3mhg h LEU 75 Cb 0.74 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 3mhg h LEU 75 CO 0.00 0.86 0.09 -0.65 0.09 0.00 0.00 178.44 178.83 3mhg h PRO 76 N 0.32 0.22 -0.70 1.13 0.11 -1.94 -2.09 132.00 129.05 3mhg h PRO 76 Ca 0.07 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.21 3mhg h PRO 76 Cb 0.62 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.64 3mhg h PRO 76 CO 0.04 0.15 0.46 0.00 -0.21 0.00 0.00 178.00 178.43 3mhg h ALA 77 N 1.33 1.68 -0.02 -0.75 0.00 -1.73 -1.09 119.26 118.67 3mhg h ALA 77 Ca 0.21 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3mhg h ALA 77 Cb 0.26 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3mhg h ALA 77 CO -0.27 0.23 -0.20 0.66 0.00 0.00 0.00 179.25 179.66 3mhg h SER 78 N 0.77 0.04 0.93 0.00 4.64 -0.25 -2.58 113.55 117.10 3mhg h SER 78 Ca 0.29 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3mhg h SER 78 Cb 0.19 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3mhg h SER 78 CO -0.09 0.24 -0.07 0.54 -0.87 0.00 0.00 176.83 176.59 3mhg n ARG 79 N -4.28 0.00 -0.32 4.77 1.74 -0.42 -3.16 116.66 114.99 3mhg n ARG 79 Ca -0.02 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.13 3mhg n ARG 79 Cb 0.27 -1.50 0.21 0.00 -1.02 0.00 0.00 32.46 30.43 3mhg n ARG 79 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3mhg n VAL 80 N -1.50 1.57 -1.76 1.55 0.24 -0.98 -5.02 118.33 112.43 3mhg n VAL 80 Ca 0.07 -1.35 -0.32 0.00 -2.04 0.00 0.00 64.34 60.69 3mhg n VAL 80 Cb 0.34 0.18 0.04 0.00 -1.47 0.00 0.00 33.84 32.93 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 -1.77 2.95 0.51 7.34 1.70 -1.19 -4.11 118.95 124.37 3mhg s ARG 81 Ca 0.33 1.20 -0.22 0.00 -0.47 0.00 0.00 55.73 56.57 3mhg s ARG 81 Cb 0.22 -1.98 -0.07 0.00 -0.57 0.00 0.00 34.95 32.55 3mhg s ARG 81 CO 0.14 -1.11 1.14 0.45 -1.08 0.00 0.00 175.30 174.84 3mhg n SER 82 N -2.56 1.73 0.30 -2.89 2.88 -1.26 -4.85 113.62 106.97 3mhg n SER 82 Ca 0.09 0.96 0.17 0.00 -1.33 0.00 0.00 58.87 58.77 3mhg n SER 82 Cb 0.53 -1.45 0.97 0.00 -0.75 0.00 0.00 64.21 63.51 3mhg n SER 82 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3mhg h GLU 83 N 1.30 0.00 0.00 -1.46 4.39 -1.95 -1.67 114.58 115.20 3mhg h GLU 83 Ca -0.48 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.22 3mhg h GLU 83 Cb 1.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 3mhg h GLU 83 CO 0.56 0.02 -0.41 0.39 -1.16 0.00 0.00 179.01 178.41 3mhg n GLU 84 N -3.52 0.03 -3.55 2.33 4.71 -1.26 -4.87 120.64 114.51 3mhg n GLU 84 Ca -0.03 0.01 -0.37 0.00 -0.01 0.00 0.00 57.16 56.77 3mhg n GLU 84 Cb 0.12 -1.52 -0.07 0.00 -1.01 0.00 0.00 31.44 28.96 3mhg n GLU 84 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3mhg s ALA 85 N -3.02 3.62 0.92 0.62 0.00 -0.63 -4.85 121.76 118.43 3mhg s ALA 85 Ca 0.11 -0.43 -0.14 0.00 0.00 0.00 0.00 51.96 51.50 3mhg s ALA 85 Cb 0.17 -2.37 0.15 0.00 0.00 0.00 0.00 23.12 21.08 3mhg s ALA 85 CO 0.67 0.17 1.21 0.20 0.00 0.00 0.00 175.76 178.01 3mhg s GLY 86 N 0.19 1.65 -0.06 0.00 0.00 -0.80 -4.81 107.32 103.48 3mhg s GLY 86 Ca 0.18 -0.82 0.02 0.00 0.00 0.00 0.00 44.72 44.10 3mhg s GLY 86 CO 0.05 -0.19 -0.13 -2.27 0.00 0.00 0.00 173.10 170.57 3mhg s LEU 87 N -5.93 1.67 0.04 0.66 2.96 -1.26 -1.40 118.68 115.43 3mhg s LEU 87 Ca 0.67 -0.31 0.06 0.00 -0.22 0.00 0.00 54.13 54.33 3mhg s LEU 87 Cb -0.10 -0.85 -0.03 0.00 0.50 0.00 0.00 46.19 45.71 3mhg s LEU 87 CO 0.52 0.04 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.70 3mhg s LEU 88 N 0.62 2.83 -0.05 -0.68 1.02 -0.05 0.27 118.68 122.65 3mhg s LEU 88 Ca -0.14 -0.34 0.05 0.00 0.02 0.00 0.00 54.13 53.72 3mhg s LEU 88 Cb -0.16 -1.65 -0.01 0.00 0.02 0.00 0.00 46.19 44.40 3mhg s LEU 88 CO 0.04 0.25 -0.20 -0.76 0.02 0.00 0.00 176.35 175.70 3mhg s LEU 89 N -1.55 1.97 0.46 1.79 1.43 -1.00 -1.39 118.68 120.40 3mhg s LEU 89 Ca 0.16 -0.41 -0.22 0.00 -1.03 0.00 0.00 54.13 52.63 3mhg s LEU 89 Cb -0.11 -1.12 -0.08 0.00 0.03 0.00 0.00 46.19 44.92 3mhg s LEU 89 CO 0.07 0.19 1.11 0.00 0.23 0.00 0.00 176.35 177.95 3mhg s ALA 90 N -0.05 2.94 0.00 4.21 0.00 -0.19 -1.47 121.76 127.19 3mhg s ALA 90 Ca -0.03 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.73 3mhg s ALA 90 Cb -0.12 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.67 3mhg s ALA 90 CO 0.03 -0.50 0.00 0.98 0.00 0.00 0.00 175.76 176.26 3mhg n TYR 91 N -0.60 0.00 -3.34 0.00 9.36 0.13 -4.35 117.16 118.36 3mhg n TYR 91 Ca 0.08 0.00 -0.31 0.00 3.32 0.00 0.00 57.90 60.98 3mhg n TYR 91 Cb 0.50 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 39.16 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 -1.54 3.79 0.57 2.98 1.03 -1.26 -0.87 118.70 123.40 3mhg s GLU 92 Ca 0.00 0.27 -0.19 0.00 0.03 0.00 0.00 54.97 55.09 3mhg s GLU 92 Cb 0.00 -2.61 -0.04 0.00 -0.80 0.00 0.00 34.13 30.67 3mhg s GLU 92 CO 0.00 0.26 1.15 0.15 -1.33 0.00 0.00 175.26 175.49 3mhg s LYS 93 N -3.02 3.16 0.44 -4.83 1.02 0.02 -4.60 119.74 111.93 3mhg s LYS 93 Ca 0.48 1.65 -0.22 0.00 0.02 0.00 0.00 55.97 57.90 3mhg s LYS 93 Cb -0.11 -1.98 -0.10 0.00 -0.52 0.00 0.00 37.83 35.13 3mhg s LYS 93 CO 0.23 -1.01 1.00 -0.08 -0.92 0.00 0.00 175.35 174.57 3mhg s THR 94 N -1.79 4.01 0.00 2.17 -1.32 -1.26 -4.89 115.64 112.55 3mhg s THR 94 Ca 0.73 1.34 0.00 0.00 -1.21 0.00 0.00 61.69 62.55 3mhg s THR 94 Cb -0.25 -3.59 0.00 0.00 -1.51 0.00 0.00 72.50 67.14 3mhg s THR 94 CO 0.31 -0.18 0.00 0.61 -2.21 0.00 0.00 174.62 173.14 3mhg n GLY 95 N -0.19 -0.08 3.46 6.08 0.00 -1.26 -5.00 105.19 108.20 3mhg n GLY 95 Ca 0.07 -1.03 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.49 -0.37 1.61 -0.85 -1.26 -5.07 117.35 110.92 3mhg s TYR 96 Ca 0.00 0.28 -0.29 0.00 -0.52 0.00 0.00 57.07 56.54 3mhg s TYR 96 Cb 0.00 0.57 0.01 0.00 0.38 0.00 0.00 41.96 42.91 3mhg s TYR 96 CO 0.00 -0.84 1.38 0.34 -1.52 0.00 0.00 175.55 174.90 3mhg s ASP 97 N -2.73 6.46 0.37 -0.18 2.15 -1.26 -4.88 116.67 116.60 3mhg s ASP 97 Ca 0.02 0.99 0.27 0.00 0.43 0.00 0.00 52.55 54.26 3mhg s ASP 97 Cb -0.01 -2.54 1.00 0.00 -0.30 0.00 0.00 42.92 41.06 3mhg s ASP 97 CO -0.11 -1.30 1.80 0.00 -0.17 0.00 0.00 175.17 175.39 3mhg h ALA 98 N 10.17 1.00 0.00 3.66 0.00 -2.03 -3.08 119.26 128.98 3mhg h ALA 98 Ca -0.27 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 3mhg h ALA 98 Cb 1.10 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3mhg h ALA 98 CO 1.06 0.00 -0.32 1.79 0.00 0.00 0.00 179.25 181.79 3mhg h THR 99 N 0.00 0.69 -1.67 0.00 1.35 -2.08 -3.45 112.91 107.75 3mhg h THR 99 Ca 0.00 -1.47 -0.63 0.00 -0.55 0.00 0.00 66.41 63.77 3mhg h THR 99 Cb 0.56 1.96 -0.13 0.00 -1.73 0.00 0.00 68.15 68.81 3mhg h THR 99 CO 0.00 0.31 -0.60 0.42 -0.25 0.00 0.00 175.52 175.40 3mhg s THR 100 N -3.47 2.01 -1.69 6.82 -4.23 -1.16 -5.06 115.64 108.84 3mhg s THR 100 Ca 0.01 -2.01 0.17 0.00 -1.18 0.00 0.00 61.69 58.69 3mhg s THR 100 Cb 0.10 -2.99 0.03 0.00 1.34 0.00 0.00 72.50 70.98 3mhg s THR 100 CO 0.67 -0.01 0.92 0.35 -0.54 0.00 0.00 174.62 176.02 3mhg n THR 101 N -0.96 0.00 0.11 3.99 -2.24 -1.26 -4.56 114.28 109.35 3mhg n THR 101 Ca -0.05 -0.37 -0.02 0.00 -2.27 0.00 0.00 64.05 61.35 3mhg n THR 101 Cb 0.67 1.24 -0.01 0.00 -2.10 0.00 0.00 70.33 70.13 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 2.23 0.00 -7.02 3.42 4.64 -1.97 -3.45 113.55 111.40 3mhg h SER 102 Ca 0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 3mhg h SER 102 Cb 0.61 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.60 3mhg h SER 102 CO 0.00 0.73 -0.98 0.54 -0.87 0.00 0.00 176.83 176.24 3mhg n ARG 103 N -3.34 -0.51 -2.42 4.77 1.74 -1.26 -4.86 116.66 110.78 3mhg n ARG 103 Ca 0.01 0.06 -0.40 0.00 -0.77 0.00 0.00 57.85 56.75 3mhg n ARG 103 Cb 0.81 -2.85 -0.04 0.00 -1.02 0.00 0.00 32.46 29.35 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 -7.41 4.47 0.50 0.55 1.43 -1.26 -4.56 118.68 112.40 3mhg s LEU 104 Ca 0.28 2.31 -0.20 0.00 -1.03 0.00 0.00 54.13 55.49 3mhg s LEU 104 Cb -0.16 -3.71 -0.07 0.00 0.03 0.00 0.00 46.19 42.27 3mhg s LEU 104 CO 0.97 -0.27 1.08 -2.16 0.23 0.00 0.00 176.35 176.21 3mhg s PRO 105 N -1.65 3.66 -0.23 1.29 0.04 -1.26 -5.01 135.00 131.84 3mhg s PRO 105 Ca 0.47 1.50 -0.05 0.00 0.04 0.00 0.00 61.00 62.96 3mhg s PRO 105 Cb -0.32 -2.13 0.11 0.00 0.04 0.00 0.00 34.50 32.21 3mhg s PRO 105 CO 0.41 -0.57 0.44 0.34 0.04 0.00 0.00 177.00 177.65 3mhg s ASP 106 N -1.81 -0.25 0.60 6.66 2.15 -1.26 -5.09 116.67 117.66 3mhg s ASP 106 Ca 0.68 0.80 -0.19 0.00 0.43 0.00 0.00 52.55 54.28 3mhg s ASP 106 Cb -0.21 1.41 -0.03 0.00 -0.30 0.00 0.00 42.92 43.79 3mhg s ASP 106 CO 0.24 -0.25 1.19 0.00 -0.17 0.00 0.00 175.17 176.19 3mhg n LEU 108 N -1.64 2.36 -0.05 0.00 4.77 -0.05 -4.61 117.00 117.79 3mhg n LEU 108 Ca 0.13 1.11 0.02 0.00 -0.03 0.00 0.00 56.01 57.25 3mhg n LEU 108 Cb 0.50 -1.31 0.36 0.00 -2.33 0.00 0.00 43.42 40.64 3mhg n LEU 108 CO 0.44 -0.72 1.14 0.44 -1.33 0.00 0.00 177.39 177.36 3mhg h ASP 109 N 4.86 0.56 -0.63 -1.43 3.32 -1.92 -2.49 116.42 118.69 3mhg h ASP 109 Ca -0.46 -0.03 -0.23 0.00 0.02 0.00 0.00 57.03 56.33 3mhg h ASP 109 Cb 1.30 -0.14 -0.14 0.00 0.22 0.00 0.00 39.33 40.57 3mhg h ASP 109 CO 0.81 0.44 0.23 1.33 -1.72 0.00 0.00 179.24 180.32 3mhg n VAL 110 N -4.43 2.81 -4.42 -1.35 0.24 -1.26 -4.98 118.33 104.94 3mhg n VAL 110 Ca 0.04 -1.96 -0.22 0.00 -2.04 0.00 0.00 64.34 60.16 3mhg n VAL 110 Cb 0.08 -0.36 -0.10 0.00 -1.47 0.00 0.00 33.84 32.00 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 -3.08 2.06 0.18 6.34 0.52 -0.94 -5.05 118.94 118.98 3mhg s TRP 111 Ca 0.51 -0.43 -0.13 0.00 0.02 0.00 0.00 56.10 56.08 3mhg s TRP 111 Cb 0.43 -0.91 0.01 0.00 -1.15 0.00 0.00 33.47 31.84 3mhg s TRP 111 CO 0.10 0.57 0.40 -1.54 0.02 0.00 0.00 176.95 176.50 3mhg s SER 112 N -3.42 -0.09 0.33 2.95 1.04 -1.26 -4.84 113.70 108.41 3mhg s SER 112 Ca 0.27 -0.72 0.04 0.00 0.48 0.00 0.00 55.95 56.02 3mhg s SER 112 Cb -0.03 0.51 0.65 0.00 0.10 0.00 0.00 66.02 67.25 3mhg s SER 112 CO 0.12 -0.98 1.91 0.00 0.98 0.00 0.00 173.24 175.27 3mhg h ALA 113 N 2.38 1.64 -0.30 5.32 0.00 -1.97 -1.00 119.26 125.33 3mhg h ALA 113 Ca -0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3mhg h ALA 113 Cb 1.24 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3mhg h ALA 113 CO 0.43 0.20 0.20 -0.22 0.00 0.00 0.00 179.25 179.86 3mhg h LYS 114 N 0.87 0.40 -0.24 0.00 3.64 -1.96 -1.53 116.57 117.76 3mhg h LYS 114 Ca 0.39 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.65 3mhg h LYS 114 Cb 0.35 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3mhg h LYS 114 CO -0.16 0.26 -0.27 0.00 -2.27 0.00 0.00 179.45 177.02 3mhg h ARG 115 N 0.41 0.46 -0.51 1.90 3.08 -1.76 -0.46 114.38 117.50 3mhg h ARG 115 Ca 0.11 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 3mhg h ARG 115 Cb -0.05 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3mhg h ARG 115 CO -0.02 0.69 0.24 0.82 -1.07 0.00 0.00 179.97 180.63 3mhg h ILE 116 N 0.41 1.20 -0.63 2.04 2.04 -0.97 -0.19 117.51 121.40 3mhg h ILE 116 Ca 0.06 -0.56 -0.07 0.00 1.00 0.00 0.00 64.86 65.29 3mhg h ILE 116 Cb 0.68 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 3mhg h ILE 116 CO 0.05 0.22 0.13 0.50 0.00 0.00 0.00 178.15 179.05 3mhg h LYS 117 N 0.68 1.03 0.00 2.37 3.64 -1.01 -2.57 116.57 120.70 3mhg h LYS 117 Ca 0.17 -0.26 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 3mhg h LYS 117 Cb 0.13 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3mhg h LYS 117 CO -0.02 0.94 -0.19 0.93 -2.27 0.00 0.00 179.45 178.84 3mhg h GLU 118 N 0.94 0.00 0.00 1.90 5.08 -0.79 -1.58 114.58 120.13 3mhg h GLU 118 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3mhg h GLU 118 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3mhg h GLU 118 CO 0.01 0.19 0.00 0.00 -1.00 0.00 0.00 179.01 178.21 3mhg n ALA 119 N -2.50 2.54 -0.24 3.43 0.00 -0.11 -4.87 120.51 118.77 3mhg n ALA 119 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3mhg n ALA 119 Cb 0.25 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 0.64 0.84 3.79 0.00 0.00 -0.59 -5.07 105.19 104.80 3mhg n GLY 120 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.07 3.02 -2.73 4.61 0.00 -1.06 -4.75 121.76 118.77 3mhg s ALA 121 Ca 0.00 0.62 0.24 0.00 0.00 0.00 0.00 51.96 52.82 3mhg s ALA 121 Cb 0.00 -3.25 0.43 0.00 0.00 0.00 0.00 23.12 20.31 3mhg s ALA 121 CO 0.00 -0.17 1.40 0.39 0.00 0.00 0.00 175.76 177.37 3mhg n GLU 122 N -0.37 2.22 -3.57 0.00 4.71 0.14 -4.65 120.64 119.12 3mhg n GLU 122 Ca 0.06 -1.80 -0.15 0.00 -0.01 0.00 0.00 57.16 55.26 3mhg n GLU 122 Cb 0.51 -1.47 -0.06 0.00 -1.01 0.00 0.00 31.44 29.41 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 -1.86 -1.80 -0.21 0.62 0.00 -1.16 -4.06 121.76 113.29 3mhg s ALA 123 Ca 0.33 1.60 -0.14 0.00 0.00 0.00 0.00 51.96 53.75 3mhg s ALA 123 Cb 0.21 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 3mhg s ALA 123 CO 0.31 -0.35 0.29 0.08 0.00 0.00 0.00 175.76 176.09 3mhg s VAL 124 N -0.62 5.27 -0.09 0.00 1.01 -0.57 -2.37 120.40 123.04 3mhg s VAL 124 Ca -0.06 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.40 3mhg s VAL 124 Cb -0.02 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 3mhg s VAL 124 CO 0.05 0.30 -0.08 -0.75 0.00 0.00 0.00 175.10 174.63 3mhg s LYS 125 N 1.12 2.98 -0.02 2.72 2.36 -0.54 -0.31 119.74 128.05 3mhg s LYS 125 Ca 0.14 -0.57 0.01 0.00 -2.55 0.00 0.00 55.97 53.00 3mhg s LYS 125 Cb -0.14 -2.64 0.02 0.00 -1.05 0.00 0.00 37.83 34.02 3mhg s LYS 125 CO 0.06 0.52 -0.02 0.12 1.55 0.00 0.00 175.35 177.58 3mhg s PHE 126 N -0.43 0.44 -0.25 4.03 2.19 -0.19 -0.69 117.98 123.07 3mhg s PHE 126 Ca 0.06 -0.07 -0.11 0.00 0.33 0.00 0.00 56.93 57.14 3mhg s PHE 126 Cb -0.12 -0.41 -0.05 0.00 -1.31 0.00 0.00 43.02 41.13 3mhg s PHE 126 CO 0.02 -0.10 0.20 -1.17 1.83 0.00 0.00 175.22 176.00 3mhg s LEU 127 N 0.62 4.08 -0.12 6.12 2.96 -1.26 0.03 118.68 131.11 3mhg s LEU 127 Ca -0.07 0.11 0.02 0.00 -0.22 0.00 0.00 54.13 53.97 3mhg s LEU 127 Cb -0.10 -2.16 -0.00 0.00 0.50 0.00 0.00 46.19 44.43 3mhg s LEU 127 CO -0.01 0.00 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.61 3mhg s LEU 128 N 1.36 2.33 -0.01 -0.68 2.96 0.25 -4.92 118.68 119.97 3mhg s LEU 128 Ca 0.09 -0.49 -0.24 0.00 -0.22 0.00 0.00 54.13 53.27 3mhg s LEU 128 Cb -0.15 -1.50 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 3mhg s LEU 128 CO 0.07 0.14 0.74 -0.31 -1.32 0.00 0.00 176.35 175.66 3mhg s TYR 129 N 0.49 3.65 -0.03 5.38 1.51 -1.26 -1.52 117.35 125.57 3mhg s TYR 129 Ca -0.13 1.36 -0.01 0.00 -1.01 0.00 0.00 57.07 57.28 3mhg s TYR 129 Cb -0.17 -2.82 0.03 0.00 -0.11 0.00 0.00 41.96 38.90 3mhg s TYR 129 CO 0.05 0.17 0.05 -0.47 -1.11 0.00 0.00 175.55 174.24 3mhg s TYR 130 N 0.41 0.01 -0.38 2.71 5.04 -0.46 -4.95 117.35 119.74 3mhg s TYR 130 Ca 0.38 0.20 0.00 0.00 -2.44 0.00 0.00 57.07 55.22 3mhg s TYR 130 Cb -0.19 -0.28 0.11 0.00 0.35 0.00 0.00 41.96 41.95 3mhg s TYR 130 CO 0.21 -0.12 0.13 0.34 -1.34 0.00 0.00 175.55 174.76 3mhg s ASP 131 N 1.36 5.03 0.56 4.32 -1.08 -1.26 -2.73 116.67 122.88 3mhg s ASP 131 Ca -0.06 -2.08 0.29 0.00 -0.52 0.00 0.00 52.55 50.18 3mhg s ASP 131 Cb -0.13 -1.74 1.47 0.00 -1.46 0.00 0.00 42.92 41.06 3mhg s ASP 131 CO -0.03 -0.47 1.93 -0.29 0.52 0.00 0.00 175.17 176.83 3mhg h ILE 132 N 6.48 0.51 -0.50 4.11 6.09 -1.85 0.26 117.51 132.61 3mhg h ILE 132 Ca -0.09 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.40 3mhg h ILE 132 Cb 1.04 0.64 0.00 0.00 0.47 0.00 0.00 36.82 38.97 3mhg h ILE 132 CO 0.62 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 176.17 3mhg n ASP 133 N -4.02 3.37 -2.64 2.19 10.43 -1.26 -4.98 116.55 119.64 3mhg n ASP 133 Ca 0.11 -1.97 -0.09 0.00 2.57 0.00 0.00 54.79 55.41 3mhg n ASP 133 Cb 0.71 -0.33 0.06 0.00 1.84 0.00 0.00 41.12 43.40 3mhg n ASP 133 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3mhg n GLY 134 N 1.51 -1.62 3.68 0.44 0.00 0.93 -4.94 105.19 105.19 3mhg n GLY 134 Ca 0.21 -1.62 -0.46 0.00 0.00 0.00 0.00 46.02 44.15 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 -3.34 3.31 -0.05 1.61 -0.08 -1.26 -4.89 116.55 111.84 3mhg n ASP 135 Ca 0.05 1.05 -0.02 0.00 -1.51 0.00 0.00 54.79 54.35 3mhg n ASP 135 Cb 0.17 -1.43 0.23 0.00 2.34 0.00 0.00 41.12 42.44 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 7.03 0.65 -0.32 -0.67 4.20 -1.97 -1.33 115.11 122.70 3mhg h GLN 136 Ca -0.46 -0.15 -0.11 0.00 0.06 0.00 0.00 58.65 57.99 3mhg h GLN 136 Cb 1.25 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.94 3mhg h GLN 136 CO 0.91 0.66 -0.24 -0.44 -0.67 0.00 0.00 178.83 179.05 3mhg h ASP 137 N 0.62 0.77 -0.55 1.46 3.32 -1.99 -0.86 116.42 119.18 3mhg h ASP 137 Ca 0.13 -0.45 0.06 0.00 0.02 0.00 0.00 57.03 56.80 3mhg h ASP 137 Cb 0.37 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.65 3mhg h ASP 137 CO 0.01 1.05 0.25 0.58 -1.72 0.00 0.00 179.24 179.42 3mhg h VAL 138 N 0.49 0.89 -0.03 -1.35 2.07 -1.87 -1.62 116.25 114.83 3mhg h VAL 138 Ca 0.06 -0.16 -0.10 0.00 0.82 0.00 0.00 66.70 67.32 3mhg h VAL 138 Cb 0.81 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3mhg h VAL 138 CO 0.06 0.09 -0.43 0.78 0.02 0.00 0.00 177.57 178.09 3mhg h ASN 139 N 0.48 0.07 -0.51 0.57 2.35 -1.08 -1.67 115.58 115.79 3mhg h ASN 139 Ca 0.26 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.91 3mhg h ASN 139 Cb 0.23 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 3mhg h ASN 139 CO -0.21 0.50 0.07 -0.08 -1.65 0.00 0.00 177.43 176.05 3mhg h GLU 140 N 0.06 0.85 -0.82 0.81 4.57 -0.62 -0.22 114.58 119.21 3mhg h GLU 140 Ca 0.00 -0.24 -0.02 0.00 -1.18 0.00 0.00 59.36 57.93 3mhg h GLU 140 Cb 0.79 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.24 3mhg h GLU 140 CO 0.06 0.85 0.43 0.37 -1.18 0.00 0.00 179.01 179.54 3mhg h GLN 141 N 0.73 1.15 -0.34 1.92 4.15 -1.02 -1.30 115.11 120.39 3mhg h GLN 141 Ca 0.15 -0.15 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 3mhg h GLN 141 Cb 0.42 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 3mhg h GLN 141 CO 0.01 0.86 0.09 0.87 -1.93 0.00 0.00 178.83 178.74 3mhg h LYS 142 N 1.14 0.54 -0.85 1.69 1.57 -1.00 -1.88 116.57 117.77 3mhg h LYS 142 Ca 0.29 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 3mhg h LYS 142 Cb 0.06 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 3mhg h LYS 142 CO -0.04 0.58 0.50 0.87 -0.57 0.00 0.00 179.45 180.79 3mhg h LYS 143 N 0.39 1.17 -0.81 3.15 1.57 -0.84 -1.59 116.57 119.61 3mhg h LYS 143 Ca 0.11 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3mhg h LYS 143 Cb 0.28 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 3mhg h LYS 143 CO -0.00 0.84 0.44 0.00 -0.57 0.00 0.00 179.45 180.15 3mhg h ALA 144 N 1.27 1.04 -0.67 3.86 0.00 -1.13 -1.48 119.26 122.16 3mhg h ALA 144 Ca 0.30 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3mhg h ALA 144 Cb -0.02 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 3mhg h ALA 144 CO -0.05 0.56 0.11 -0.92 0.00 0.00 0.00 179.25 178.95 3mhg h TYR 145 N 1.14 1.19 -0.27 0.00 3.20 -0.68 -2.36 116.97 119.18 3mhg h TYR 145 Ca 0.29 -0.16 -0.16 0.00 3.14 0.00 0.00 58.73 61.83 3mhg h TYR 145 Cb 0.04 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 37.98 3mhg h TYR 145 CO 0.01 0.99 -0.48 0.82 -1.64 0.00 0.00 178.16 177.86 3mhg h ILE 146 N 1.04 1.29 -0.68 1.81 1.08 -1.09 -2.67 117.51 118.30 3mhg h ILE 146 Ca 0.20 -1.68 0.11 0.00 -0.39 0.00 0.00 64.86 63.11 3mhg h ILE 146 Cb 0.45 1.60 -0.08 0.00 -3.07 0.00 0.00 36.82 35.71 3mhg h ILE 146 CO 0.01 0.54 0.28 -0.33 -0.69 0.00 0.00 178.15 177.96 3mhg h GLU 147 N 0.57 0.45 -0.13 2.37 5.08 -0.98 0.83 114.58 122.76 3mhg h GLU 147 Ca 0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3mhg h GLU 147 Cb 1.04 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 3mhg h GLU 147 CO 0.10 0.30 0.09 0.00 -1.00 0.00 0.00 179.01 178.49 3mhg h ARG 148 N 0.46 0.18 -0.66 2.33 3.08 -1.16 -0.48 114.38 118.12 3mhg h ARG 148 Ca 0.35 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.34 3mhg h ARG 148 Cb 0.46 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 3mhg h ARG 148 CO -0.33 0.12 0.19 0.82 -1.07 0.00 0.00 179.97 179.70 3mhg h ILE 149 N 0.18 1.25 -0.84 2.04 2.04 -1.12 -0.38 117.51 120.68 3mhg h ILE 149 Ca 0.05 -0.89 0.04 0.00 1.00 0.00 0.00 64.86 65.06 3mhg h ILE 149 Cb -0.02 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 36.58 3mhg h ILE 149 CO -0.01 0.34 0.54 1.23 0.00 0.00 0.00 178.15 180.25 3mhg h GLY 150 N 0.97 1.23 1.00 5.37 0.00 -0.61 -1.05 103.07 109.98 3mhg h GLY 150 Ca 0.21 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 47.05 3mhg h GLY 150 CO -0.00 0.34 -0.05 1.76 0.00 0.00 0.00 176.54 178.59 3mhg h SER 151 N 1.04 0.82 -0.51 0.19 0.02 -0.62 -1.95 113.55 112.54 3mhg h SER 151 Ca 0.34 -0.33 0.07 0.00 -0.84 0.00 0.00 61.79 61.03 3mhg h SER 151 Cb 0.03 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 62.29 3mhg h SER 151 CO -0.12 0.96 0.19 -0.33 -1.14 0.00 0.00 176.83 176.39 3mhg h GLU 152 N 0.67 0.36 -0.11 3.45 5.08 -0.48 -1.15 114.58 122.40 3mhg h GLU 152 Ca 0.12 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.35 3mhg h GLU 152 Cb 0.57 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3mhg h GLU 152 CO 0.03 0.24 -0.42 0.00 -1.00 0.00 0.00 179.01 177.86 3mhg h ARG 154 N 0.20 0.27 -0.77 0.00 1.12 -0.78 0.01 114.38 114.43 3mhg h ARG 154 Ca 0.02 -0.05 -0.00 0.00 -1.11 0.00 0.00 59.98 58.83 3mhg h ARG 154 Cb 0.84 -0.04 -0.04 0.00 -0.01 0.00 0.00 29.97 30.72 3mhg h ARG 154 CO 0.07 0.37 0.46 0.00 -3.11 0.00 0.00 179.97 177.76 3mhg h ALA 155 N 0.89 0.98 -0.00 2.80 0.00 -0.86 -2.39 119.26 120.67 3mhg h ALA 155 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3mhg h ALA 155 Cb 0.20 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3mhg h ALA 155 CO -0.00 0.45 -0.17 0.39 0.00 0.00 0.00 179.25 179.91 3mhg n GLU 156 N -4.49 0.57 -3.48 0.00 -0.58 -0.35 -4.94 120.64 107.37 3mhg n GLU 156 Ca 0.07 -0.23 -0.18 0.00 -0.42 0.00 0.00 57.16 56.40 3mhg n GLU 156 Cb 0.06 -1.50 0.08 0.00 -0.57 0.00 0.00 31.44 29.51 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 -1.01 -2.23 -4.02 1.62 2.03 -0.13 -5.01 116.55 107.80 3mhg n ASP 157 Ca 0.12 -0.68 -0.22 0.00 0.52 0.00 0.00 54.79 54.54 3mhg n ASP 157 Cb 0.30 -4.88 -0.16 0.00 -0.72 0.00 0.00 41.12 35.66 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 -3.43 0.94 0.28 5.18 2.07 -0.52 -4.30 121.20 121.42 3mhg s ILE 158 Ca 0.04 -0.43 -0.29 0.00 -1.41 0.00 0.00 60.65 58.56 3mhg s ILE 158 Cb -0.01 -0.85 -0.13 0.00 0.13 0.00 0.00 42.46 41.60 3mhg s ILE 158 CO 0.75 0.29 1.26 -2.65 -1.91 0.00 0.00 174.94 172.68 3mhg n PRO 159 N 3.43 1.84 -3.63 3.50 -0.02 -1.26 -4.58 135.00 134.29 3mhg n PRO 159 Ca -0.20 0.65 -0.40 0.00 -2.02 0.00 0.00 63.50 61.53 3mhg n PRO 159 Cb 0.53 -2.20 -0.11 0.00 -0.02 0.00 0.00 33.50 31.70 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 -0.66 3.25 -0.37 6.00 5.36 -1.26 -1.50 117.98 128.80 3mhg s PHE 160 Ca 0.62 -1.11 -0.17 0.00 -0.96 0.00 0.00 56.93 55.31 3mhg s PHE 160 Cb -0.65 -2.43 0.00 0.00 -0.34 0.00 0.00 43.02 39.60 3mhg s PHE 160 CO 0.57 -0.68 0.43 0.71 -1.46 0.00 0.00 175.22 174.78 3mhg s TYR 161 N 1.51 3.19 -0.29 10.12 1.51 0.58 -0.66 117.35 133.30 3mhg s TYR 161 Ca 0.01 -0.07 -0.09 0.00 -1.01 0.00 0.00 57.07 55.91 3mhg s TYR 161 Cb -0.20 -2.81 -0.02 0.00 -0.11 0.00 0.00 41.96 38.82 3mhg s TYR 161 CO 0.05 -0.54 0.14 -1.17 -1.11 0.00 0.00 175.55 172.92 3mhg s LEU 162 N 2.17 3.94 -0.10 -1.29 2.96 -0.29 -1.02 118.68 125.04 3mhg s LEU 162 Ca 0.14 -0.36 -0.16 0.00 -0.22 0.00 0.00 54.13 53.53 3mhg s LEU 162 Cb -0.16 -2.00 -0.05 0.00 0.50 0.00 0.00 46.19 44.48 3mhg s LEU 162 CO 0.13 -0.13 0.41 -0.70 -1.32 0.00 0.00 176.35 174.73 3mhg s GLU 163 N 1.64 4.21 -0.19 1.98 2.12 0.10 -0.74 118.70 127.82 3mhg s GLU 163 Ca 0.05 0.34 -0.00 0.00 0.36 0.00 0.00 54.97 55.72 3mhg s GLU 163 Cb -0.16 -3.38 0.01 0.00 0.26 0.00 0.00 34.13 30.86 3mhg s GLU 163 CO 0.06 0.31 -0.16 0.42 -0.54 0.00 0.00 175.26 175.36 3mhg s ILE 164 N 0.15 2.44 -0.22 -3.70 1.01 -0.36 -0.58 121.20 119.94 3mhg s ILE 164 Ca 0.23 -0.81 -0.05 0.00 0.00 0.00 0.00 60.65 60.02 3mhg s ILE 164 Cb -0.15 -2.05 -0.02 0.00 0.01 0.00 0.00 42.46 40.25 3mhg s ILE 164 CO 0.09 0.51 -0.01 -0.76 0.00 0.00 0.00 174.94 174.77 3mhg s LEU 165 N 1.32 3.08 0.44 2.97 1.43 -0.58 -4.22 118.68 123.13 3mhg s LEU 165 Ca 0.05 -0.31 -0.10 0.00 -1.03 0.00 0.00 54.13 52.74 3mhg s LEU 165 Cb -0.13 -1.79 -0.06 0.00 0.03 0.00 0.00 46.19 44.24 3mhg s LEU 165 CO -0.10 0.00 0.81 0.42 0.23 0.00 0.00 176.35 177.71 3mhg s THR 166 N 1.35 4.78 0.31 5.49 -4.23 -1.26 -1.35 115.64 120.74 3mhg s THR 166 Ca 0.04 0.61 -0.16 0.00 -1.18 0.00 0.00 61.69 61.01 3mhg s THR 166 Cb -0.14 -3.76 0.02 0.00 1.34 0.00 0.00 72.50 69.96 3mhg s THR 166 CO -0.00 -0.63 0.66 -0.72 -0.54 0.00 0.00 174.62 173.39 3mhg s TYR 167 N -2.51 0.15 -0.10 3.99 -0.85 -1.10 -4.86 117.35 112.07 3mhg s TYR 167 Ca 0.51 -0.63 0.02 0.00 -0.52 0.00 0.00 57.07 56.45 3mhg s TYR 167 Cb -0.10 0.56 0.01 0.00 0.38 0.00 0.00 41.96 42.80 3mhg s TYR 167 CO 0.35 -1.28 -0.17 0.34 -1.52 0.00 0.00 175.55 173.27 3mhg s ASP 168 N -3.02 2.53 0.59 -0.18 -1.08 -1.26 -4.26 116.67 109.99 3mhg s ASP 168 Ca 0.17 -0.45 0.29 0.00 -0.52 0.00 0.00 52.55 52.03 3mhg s ASP 168 Cb -0.04 -1.15 1.52 0.00 -1.46 0.00 0.00 42.92 41.79 3mhg s ASP 168 CO 0.10 0.06 1.94 -0.33 0.52 0.00 0.00 175.17 177.46 3mhg h GLU 169 N 7.13 0.00 -0.21 4.34 5.08 -1.96 -2.10 114.58 126.86 3mhg h GLU 169 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3mhg h GLU 169 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3mhg h GLU 169 CO 0.49 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.13 3mhg n LYS 170 N -3.67 2.12 -4.08 2.33 5.02 -1.26 -4.90 118.16 113.72 3mhg n LYS 170 Ca 0.06 -1.70 -0.33 0.00 -2.02 0.00 0.00 58.31 54.33 3mhg n LYS 170 Cb 0.58 -1.22 -0.15 0.00 -0.02 0.00 0.00 35.03 34.22 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 -0.94 2.22 0.30 -0.18 1.01 -0.79 -5.01 121.20 117.80 3mhg s ILE 171 Ca 0.17 -1.28 0.01 0.00 0.00 0.00 0.00 60.65 59.56 3mhg s ILE 171 Cb 0.10 -2.13 0.14 0.00 0.01 0.00 0.00 42.46 40.57 3mhg s ILE 171 CO 0.13 0.23 1.82 0.00 0.00 0.00 0.00 174.94 177.12 3mhg h ALA 172 N 7.87 1.24 -3.31 9.38 0.00 -1.91 -3.41 119.26 129.12 3mhg h ALA 172 Ca -0.32 -0.23 -0.62 0.00 0.00 0.00 0.00 54.91 53.74 3mhg h ALA 172 Cb 1.09 -0.18 -0.36 0.00 0.00 0.00 0.00 17.79 18.34 3mhg h ALA 172 CO 0.55 0.51 -0.82 0.34 0.00 0.00 0.00 179.25 179.83 3mhg s ASP 173 N -6.67 3.20 0.00 0.00 3.68 -1.26 -4.99 116.67 110.63 3mhg s ASP 173 Ca -0.09 -0.76 0.18 0.00 2.13 0.00 0.00 52.55 54.01 3mhg s ASP 173 Cb 0.15 -1.27 0.86 0.00 -1.45 0.00 0.00 42.92 41.22 3mhg s ASP 173 CO 0.79 -0.10 1.56 0.59 0.13 0.00 0.00 175.17 178.14 3mhg n ASN 174 N 4.69 0.00 -0.08 -0.34 3.02 -1.26 -2.32 115.26 118.97 3mhg n ASN 174 Ca -0.16 0.21 0.11 0.00 -0.03 0.00 0.00 54.58 54.71 3mhg n ASN 174 Cb 0.48 -0.37 0.12 0.00 -0.61 0.00 0.00 39.78 39.40 3mhg n ASN 174 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mhg n ALA 175 N -1.37 3.89 -1.71 5.41 0.00 -1.26 -4.63 120.51 120.84 3mhg n ALA 175 Ca 0.07 -0.47 -0.35 0.00 0.00 0.00 0.00 53.44 52.70 3mhg n ALA 175 Cb 0.17 -0.98 0.01 0.00 0.00 0.00 0.00 19.45 18.66 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 -2.89 5.55 0.51 0.00 1.04 -0.98 -4.87 113.70 112.06 3mhg s SER 176 Ca 0.12 2.15 0.21 0.00 0.48 0.00 0.00 55.95 58.91 3mhg s SER 176 Cb 0.17 -2.57 1.29 0.00 0.10 0.00 0.00 66.02 65.01 3mhg s SER 176 CO 0.72 -1.33 2.01 -0.65 0.98 0.00 0.00 173.24 174.97 3mhg h PRO 177 N 0.91 0.10 -0.04 4.02 0.11 -1.93 -1.35 132.00 133.82 3mhg h PRO 177 Ca -0.49 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 3mhg h PRO 177 Cb 1.26 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 3mhg h PRO 177 CO 0.56 0.06 0.02 1.49 -0.21 0.00 0.00 178.00 179.93 3mhg h GLU 178 N 0.10 0.06 -0.46 1.05 4.81 -1.91 -2.58 114.58 115.65 3mhg h GLU 178 Ca 0.23 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.34 3mhg h GLU 178 Cb 0.76 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 3mhg h GLU 178 CO -0.02 0.10 -0.16 0.35 -0.73 0.00 0.00 179.01 178.54 3mhg h PHE 179 N 0.00 1.00 -0.99 0.92 3.57 -1.68 -3.02 116.94 116.74 3mhg h PHE 179 Ca 0.02 -0.22 0.21 0.00 3.53 0.00 0.00 57.97 61.51 3mhg h PHE 179 Cb 0.06 -0.24 -0.10 0.00 2.79 0.00 0.00 35.95 38.45 3mhg h PHE 179 CO -0.05 0.98 0.62 0.00 -2.23 0.00 0.00 178.31 177.63 3mhg h ALA 180 N 1.02 1.89 0.00 2.41 0.00 -0.99 0.83 119.26 124.43 3mhg h ALA 180 Ca 0.12 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3mhg h ALA 180 Cb 0.70 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3mhg h ALA 180 CO 0.05 -0.27 0.00 0.87 0.00 0.00 0.00 179.25 179.91 3mhg h LYS 181 N 0.61 0.00 -0.03 0.00 1.57 -1.33 -2.96 116.57 114.43 3mhg h LYS 181 Ca 0.57 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.35 3mhg h LYS 181 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 3mhg h LYS 181 CO -0.34 0.00 0.00 1.33 -0.57 0.00 0.00 179.45 179.87 3mhg n VAL 182 N -2.89 0.07 -0.08 0.50 0.24 0.17 -4.76 118.33 111.58 3mhg n VAL 182 Ca 0.01 -0.54 -0.09 0.00 -2.04 0.00 0.00 64.34 61.68 3mhg n VAL 182 Cb 0.29 1.15 -0.02 0.00 -1.47 0.00 0.00 33.84 33.79 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 1.88 0.38 -0.61 7.34 3.64 -1.07 -1.29 116.57 126.84 3mhg h LYS 183 Ca 0.00 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.43 3mhg h LYS 183 Cb 0.42 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.09 3mhg h LYS 183 CO 0.00 0.27 0.26 0.00 -2.27 0.00 0.00 179.45 177.72 3mhg h ALA 184 N 1.09 0.80 0.17 5.00 0.00 -1.72 0.89 119.26 125.48 3mhg h ALA 184 Ca 0.10 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3mhg h ALA 184 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3mhg h ALA 184 CO -0.02 -0.13 -0.08 1.25 0.00 0.00 0.00 179.25 180.26 3mhg h HIS 185 N 0.48 -0.22 -0.52 0.00 -0.00 -1.76 -0.03 115.15 113.10 3mhg h HIS 185 Ca 0.30 -0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.71 3mhg h HIS 185 Cb 0.32 0.07 -0.05 0.00 -0.00 0.00 0.00 27.41 27.75 3mhg h HIS 185 CO -0.14 -0.13 0.25 0.87 -0.00 0.00 0.00 177.93 178.78 3mhg h LYS 186 N -0.23 0.48 0.08 5.26 1.79 -0.55 -1.96 116.57 121.44 3mhg h LYS 186 Ca -0.02 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 3mhg h LYS 186 Cb 0.18 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 3mhg h LYS 186 CO 0.03 0.31 -0.04 0.28 -1.08 0.00 0.00 179.45 178.96 3mhg h VAL 187 N 0.49 1.20 -0.27 0.50 2.07 -0.74 -2.75 116.25 116.75 3mhg h VAL 187 Ca 0.23 -1.27 -0.13 0.00 0.82 0.00 0.00 66.70 66.36 3mhg h VAL 187 Cb 0.16 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 3mhg h VAL 187 CO -0.18 0.30 -0.37 0.78 0.02 0.00 0.00 177.57 178.13 3mhg h ASN 188 N -0.71 0.65 0.56 0.57 2.35 -1.01 -2.22 115.58 115.76 3mhg h ASN 188 Ca -0.01 -0.28 -0.14 0.00 -0.55 0.00 0.00 56.30 55.33 3mhg h ASN 188 Cb 0.57 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 3mhg h ASN 188 CO 0.02 0.95 -0.63 -0.33 -1.65 0.00 0.00 177.43 175.80 3mhg h GLU 189 N 0.52 0.06 -0.41 0.81 4.39 -1.47 -2.05 114.58 116.43 3mhg h GLU 189 Ca 0.05 -0.05 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 3mhg h GLU 189 Cb 0.87 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 3mhg h GLU 189 CO 0.08 0.67 -0.31 0.00 -1.16 0.00 0.00 179.01 178.28 3mhg h ALA 190 N 1.32 0.67 -0.65 3.43 0.00 -1.26 -2.56 119.26 120.20 3mhg h ALA 190 Ca -0.01 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 3mhg h ALA 190 Cb 1.12 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3mhg h ALA 190 CO 0.09 0.67 0.16 0.52 0.00 0.00 0.00 179.25 180.69 3mhg h MET 191 N 0.77 1.03 -0.23 0.00 2.86 -1.21 -2.18 114.93 115.97 3mhg h MET 191 Ca 0.08 -0.23 0.02 0.00 -2.06 0.00 0.00 59.70 57.50 3mhg h MET 191 Cb 0.89 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.39 3mhg h MET 191 CO 0.08 0.91 0.09 0.87 1.06 0.00 0.00 176.91 179.93 3mhg h LYS 192 N 0.98 0.20 0.21 1.72 1.57 -1.29 -1.78 116.57 118.19 3mhg h LYS 192 Ca 0.21 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.99 3mhg h LYS 192 Cb 0.35 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 3mhg h LYS 192 CO 0.00 0.13 -0.31 0.28 -0.57 0.00 0.00 179.45 178.99 3mhg h VAL 193 N 0.21 0.35 -0.11 0.50 2.07 -1.18 -3.04 116.25 115.05 3mhg h VAL 193 Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 3mhg h VAL 193 Cb 0.05 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 3mhg h VAL 193 CO -0.08 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.00 3mhg n PHE 194 N -5.42 0.14 0.88 1.57 3.72 -0.85 -2.54 117.46 114.96 3mhg n PHE 194 Ca -0.08 -0.07 0.13 0.00 -0.05 0.00 0.00 57.45 57.38 3mhg n PHE 194 Cb 0.32 0.00 0.39 0.00 -0.94 0.00 0.00 39.48 39.25 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 -0.12 0.40 -4.77 4.37 7.64 -0.67 -4.66 113.62 115.80 3mhg n SER 195 Ca 0.14 0.18 -0.40 0.00 1.01 0.00 0.00 58.87 59.80 3mhg n SER 195 Cb 0.21 -0.16 0.01 0.00 -1.01 0.00 0.00 64.21 63.25 3mhg n SER 195 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3mhg s LYS 196 N -3.04 3.92 0.47 1.43 1.02 -1.05 -4.88 119.74 117.61 3mhg s LYS 196 Ca 0.11 2.44 0.21 0.00 0.02 0.00 0.00 55.97 58.76 3mhg s LYS 196 Cb 0.17 -2.82 1.22 0.00 -0.52 0.00 0.00 37.83 35.88 3mhg s LYS 196 CO 0.63 -0.64 1.93 1.49 -0.92 0.00 0.00 175.35 177.84 3mhg h GLU 197 N 2.69 0.23 0.00 1.68 4.81 -1.91 -2.15 114.58 119.93 3mhg h GLU 197 Ca -0.51 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3mhg h GLU 197 Cb 1.25 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3mhg h GLU 197 CO 0.63 0.15 0.00 0.07 -0.73 0.00 0.00 179.01 179.13 3mhg h ARG 198 N 0.24 0.00 0.00 1.92 0.11 -1.96 -2.04 114.38 112.65 3mhg h ARG 198 Ca 0.36 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.44 3mhg h ARG 198 Cb 1.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.15 3mhg h ARG 198 CO -0.08 0.00 -0.61 1.19 0.10 0.00 0.00 179.97 180.56 3mhg n PHE 199 N -2.54 0.31 -2.07 4.08 3.72 -0.81 -4.67 117.46 115.48 3mhg n PHE 199 Ca -0.00 0.09 -0.19 0.00 -0.05 0.00 0.00 57.45 57.30 3mhg n PHE 199 Cb 0.14 -0.48 -0.03 0.00 -0.94 0.00 0.00 39.48 38.17 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 1.40 0.38 3.76 1.37 0.00 -0.77 -4.04 105.19 107.29 3mhg n GLY 200 Ca 0.04 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.85 3.68 -0.22 1.61 1.01 -1.26 -4.63 120.40 117.73 3mhg s VAL 201 Ca 0.00 1.65 0.01 0.00 0.00 0.00 0.00 61.98 63.65 3mhg s VAL 201 Cb 0.00 -4.04 -0.14 0.00 0.00 0.00 0.00 36.38 32.20 3mhg s VAL 201 CO 0.00 0.36 -0.20 0.47 0.00 0.00 0.00 175.10 175.73 3mhg n ASP 202 N 1.16 2.25 -3.91 3.32 8.00 0.16 -4.95 116.55 122.57 3mhg n ASP 202 Ca -0.01 -0.11 -0.16 0.00 0.71 0.00 0.00 54.79 55.23 3mhg n ASP 202 Cb 0.46 -0.36 -0.15 0.00 -0.02 0.00 0.00 41.12 41.05 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 -2.44 0.31 -0.25 2.53 1.01 -0.94 -4.17 120.40 116.45 3mhg s VAL 203 Ca -0.30 -0.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 3mhg s VAL 203 Cb 0.08 -0.29 -0.05 0.00 0.00 0.00 0.00 36.38 36.12 3mhg s VAL 203 CO 0.51 0.11 0.20 -0.76 0.00 0.00 0.00 175.10 175.17 3mhg s LEU 204 N 0.19 4.10 -0.38 3.92 1.43 -0.75 -1.14 118.68 126.04 3mhg s LEU 204 Ca -0.02 0.14 -0.15 0.00 -1.03 0.00 0.00 54.13 53.08 3mhg s LEU 204 Cb -0.05 -2.17 0.00 0.00 0.03 0.00 0.00 46.19 44.00 3mhg s LEU 204 CO -0.00 0.01 0.31 -0.75 0.23 0.00 0.00 176.35 176.15 3mhg s LYS 205 N 1.29 3.24 0.15 1.70 2.20 0.08 -0.67 119.74 127.73 3mhg s LYS 205 Ca 0.09 -0.77 0.02 0.00 -0.36 0.00 0.00 55.97 54.95 3mhg s LYS 205 Cb -0.14 -3.90 -0.05 0.00 -1.51 0.00 0.00 37.83 32.23 3mhg s LYS 205 CO 0.07 -0.64 -0.03 0.14 -0.36 0.00 0.00 175.35 174.52 3mhg s VAL 206 N 1.81 0.78 0.53 4.02 -7.23 -0.31 -1.22 120.40 118.79 3mhg s VAL 206 Ca 0.07 -1.99 -0.18 0.00 -1.81 0.00 0.00 61.98 58.08 3mhg s VAL 206 Cb -0.18 -1.98 -0.07 0.00 0.56 0.00 0.00 36.38 34.72 3mhg s VAL 206 CO 0.11 -0.61 1.04 -1.61 -0.31 0.00 0.00 175.10 173.73 3mhg s GLU 207 N -3.86 3.62 0.46 4.82 2.02 -1.26 -2.27 118.70 122.23 3mhg s GLU 207 Ca 0.20 1.29 -0.24 0.00 0.02 0.00 0.00 54.97 56.24 3mhg s GLU 207 Cb 0.05 -2.07 -0.07 0.00 0.10 0.00 0.00 34.13 32.14 3mhg s GLU 207 CO 0.01 -0.57 1.32 0.14 0.02 0.00 0.00 175.26 176.18 3mhg s VAL 208 N -2.18 2.45 -1.85 2.63 -7.23 -1.26 -4.88 120.40 108.08 3mhg s VAL 208 Ca 0.66 0.37 0.00 0.00 -1.81 0.00 0.00 61.98 61.20 3mhg s VAL 208 Cb -0.16 -3.21 0.01 0.00 0.56 0.00 0.00 36.38 33.58 3mhg s VAL 208 CO 0.27 0.03 0.94 -0.81 -0.31 0.00 0.00 175.10 175.21 3mhg n PRO 209 N -0.36 1.04 -3.91 4.82 -0.04 -1.26 -4.73 135.00 130.56 3mhg n PRO 209 Ca 0.06 -0.05 -0.11 0.00 -0.04 0.00 0.00 63.50 63.37 3mhg n PRO 209 Cb 0.44 -1.08 -0.11 0.00 -0.04 0.00 0.00 33.50 32.71 3mhg n PRO 209 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3mhg s VAL 210 N -1.84 0.08 -0.66 0.52 -7.23 -1.26 -2.52 120.40 107.48 3mhg s VAL 210 Ca 0.01 -0.64 -0.22 0.00 -1.81 0.00 0.00 61.98 59.32 3mhg s VAL 210 Cb 0.00 -0.31 0.07 0.00 0.56 0.00 0.00 36.38 36.71 3mhg s VAL 210 CO 0.01 -0.35 0.96 0.21 -0.31 0.00 0.00 175.10 175.62 3mhg s ASN 211 N -1.13 6.18 0.59 4.85 3.84 -1.26 -4.90 114.94 123.10 3mhg s ASN 211 Ca -0.12 -1.02 0.29 0.00 0.21 0.00 0.00 52.86 52.21 3mhg s ASN 211 Cb -0.07 -2.41 1.66 0.00 -0.55 0.00 0.00 41.25 39.87 3mhg s ASN 211 CO 0.00 -1.43 2.10 0.24 -2.79 0.00 0.00 177.10 175.22 3mhg h MET 212 N 9.55 0.00 0.00 0.43 2.86 -1.97 -1.34 114.93 124.45 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 1.18 0.00 0.00 1.63 1.06 0.00 0.00 176.91 180.78 3mhg n LYS 213 N -3.80 0.17 -0.07 1.72 5.02 -1.26 -1.38 118.16 118.55 3mhg n LYS 213 Ca 0.02 0.17 0.02 0.00 -2.02 0.00 0.00 58.31 56.50 3mhg n LYS 213 Cb 0.33 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.90 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 -1.25 0.18 -3.65 2.13 3.01 -0.51 -4.28 117.46 113.09 3mhg n PHE 214 Ca 0.05 -0.52 -0.36 0.00 1.01 0.00 0.00 57.45 57.63 3mhg n PHE 214 Cb 0.08 -0.05 -0.07 0.00 -0.01 0.00 0.00 39.48 39.43 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 -1.09 5.35 0.01 -4.37 1.01 -0.48 -0.79 120.40 120.04 3mhg s VAL 215 Ca 0.10 0.40 -0.39 0.00 0.00 0.00 0.00 61.98 62.09 3mhg s VAL 215 Cb 0.06 -3.55 -0.18 0.00 0.00 0.00 0.00 36.38 32.71 3mhg s VAL 215 CO 0.06 0.46 1.28 1.21 0.00 0.00 0.00 175.10 178.10 3mhg n GLU 216 N 3.17 0.69 0.00 2.72 4.07 0.09 -0.45 120.64 130.93 3mhg n GLU 216 Ca -0.15 0.25 0.00 0.00 -0.06 0.00 0.00 57.16 57.20 3mhg n GLU 216 Cb 0.52 -1.84 0.00 0.00 -0.06 0.00 0.00 31.44 30.07 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 2.32 3.29 0.01 8.31 0.00 -1.26 -4.55 105.19 113.30 3mhg n GLY 217 Ca 0.20 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.97 0.00 -2.82 1.61 3.01 0.41 -5.02 117.46 112.67 3mhg n PHE 218 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.05 3mhg n PHE 218 Cb 0.00 -0.21 -0.04 0.00 -0.01 0.00 0.00 39.48 39.22 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 -2.57 3.26 -0.71 4.37 0.00 0.01 -4.73 121.76 121.40 3mhg s ALA 219 Ca -0.03 0.44 0.22 0.00 0.00 0.00 0.00 51.96 52.59 3mhg s ALA 219 Cb 0.05 -3.19 -0.07 0.00 0.00 0.00 0.00 23.12 19.91 3mhg s ALA 219 CO 0.35 -0.07 0.93 -0.25 0.00 0.00 0.00 175.76 176.73 3mhg n ASP 220 N 3.22 0.66 0.00 0.00 8.00 -1.26 -4.96 116.55 122.20 3mhg n ASP 220 Ca 0.02 -0.48 0.00 0.00 0.71 0.00 0.00 54.79 55.04 3mhg n ASP 220 Cb 0.50 1.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.60 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 1.41 3.21 3.72 0.44 0.00 -1.26 -5.10 105.19 107.61 3mhg n GLY 221 Ca 0.02 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 3mhg n GLY 221 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3mhg n GLU 222 N 0.00 2.24 -3.97 1.61 2.13 -1.26 -5.00 120.64 116.40 3mhg n GLU 222 Ca 0.00 0.79 -0.35 0.00 0.66 0.00 0.00 57.16 58.26 3mhg n GLU 222 Cb 0.00 -2.46 -0.13 0.00 0.27 0.00 0.00 31.44 29.12 3mhg n GLU 222 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3mhg s VAL 223 N -1.13 3.76 -0.15 6.31 1.01 -1.26 -4.60 120.40 124.34 3mhg s VAL 223 Ca 0.56 -0.37 0.15 0.00 0.00 0.00 0.00 61.98 62.33 3mhg s VAL 223 Cb -0.52 -2.72 -0.21 0.00 0.00 0.00 0.00 36.38 32.93 3mhg s VAL 223 CO 0.61 0.41 0.09 0.18 0.00 0.00 0.00 175.10 176.39 3mhg n LEU 224 N 4.58 0.00 -4.06 3.92 4.77 0.03 -5.02 117.00 121.22 3mhg n LEU 224 Ca -0.17 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.64 3mhg n LEU 224 Cb 0.51 0.38 -0.13 0.00 -2.33 0.00 0.00 43.42 41.85 3mhg n LEU 224 CO 0.30 0.38 -0.42 -0.36 -1.33 0.00 0.00 177.39 175.96 3mhg s PHE 225 N -2.48 0.81 0.76 -1.77 0.08 -0.87 -5.05 117.98 109.46 3mhg s PHE 225 Ca -0.08 -0.32 -0.12 0.00 0.12 0.00 0.00 56.93 56.53 3mhg s PHE 225 Cb 0.06 -0.49 0.04 0.00 -0.57 0.00 0.00 43.02 42.06 3mhg s PHE 225 CO 0.69 -0.02 1.11 0.95 -0.10 0.00 0.00 175.22 177.85 3mhg s THR 226 N -0.80 3.14 0.30 0.64 -4.23 -1.26 -0.73 115.64 112.69 3mhg s THR 226 Ca -0.02 0.37 -0.01 0.00 -1.18 0.00 0.00 61.69 60.85 3mhg s THR 226 Cb -0.07 -3.27 0.21 0.00 1.34 0.00 0.00 72.50 70.72 3mhg s THR 226 CO 0.00 -0.48 1.91 0.11 -0.54 0.00 0.00 174.62 175.62 3mhg h LYS 227 N -0.88 0.92 -0.79 3.99 1.57 -1.95 -1.88 116.57 117.55 3mhg h LYS 227 Ca -0.46 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.16 3mhg h LYS 227 Cb 1.27 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 33.37 3mhg h LYS 227 CO 0.62 0.70 0.32 1.49 -0.57 0.00 0.00 179.45 182.01 3mhg h GLU 228 N 0.92 1.18 -0.38 3.15 4.57 -1.97 0.57 114.58 122.61 3mhg h GLU 228 Ca 0.23 -0.21 -0.06 0.00 -1.18 0.00 0.00 59.36 58.14 3mhg h GLU 228 Cb 0.07 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.46 3mhg h GLU 228 CO -0.03 0.95 0.02 0.93 -1.18 0.00 0.00 179.01 179.69 3mhg h GLU 229 N 1.14 0.67 -0.67 1.92 5.08 -1.85 -1.35 114.58 119.52 3mhg h GLU 229 Ca 0.26 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3mhg h GLU 229 Cb 0.21 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3mhg h GLU 229 CO -0.02 0.75 0.43 0.00 -1.00 0.00 0.00 179.01 179.17 3mhg h ALA 230 N 0.89 0.85 -0.89 3.43 0.00 -1.10 -2.66 119.26 119.77 3mhg h ALA 230 Ca 0.11 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3mhg h ALA 230 Cb 0.44 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3mhg h ALA 230 CO 0.02 0.29 0.54 0.00 0.00 0.00 0.00 179.25 180.10 3mhg h ALA 231 N 1.23 1.14 0.00 0.00 0.00 -0.65 -1.86 119.26 119.11 3mhg h ALA 231 Ca 0.24 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3mhg h ALA 231 Cb -0.07 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 3mhg h ALA 231 CO -0.05 0.59 -0.20 0.37 0.00 0.00 0.00 179.25 179.96 3mhg h GLN 232 N 1.23 0.00 -0.12 0.00 5.75 -0.95 -1.53 115.11 119.49 3mhg h GLN 232 Ca 0.32 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.67 3mhg h GLN 232 Cb -0.06 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 3mhg h GLN 232 CO -0.06 0.20 -0.58 0.00 -2.65 0.00 0.00 178.83 175.74 3mhg h ALA 233 N 1.80 0.79 -0.36 3.38 0.00 -1.01 -0.43 119.26 123.42 3mhg h ALA 233 Ca -0.00 -0.53 -0.11 0.00 0.00 0.00 0.00 54.91 54.27 3mhg h ALA 233 Cb 0.36 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3mhg h ALA 233 CO 0.03 0.71 -0.20 0.74 0.00 0.00 0.00 179.25 180.52 3mhg h PHE 234 N 0.28 0.90 -0.48 0.00 0.04 -1.06 -1.75 116.94 114.87 3mhg h PHE 234 Ca -0.00 -0.23 -0.06 0.00 2.80 0.00 0.00 57.97 60.48 3mhg h PHE 234 Cb 1.10 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 39.02 3mhg h PHE 234 CO 0.03 0.98 0.06 0.00 -0.60 0.00 0.00 178.31 178.78 3mhg h ARG 235 N 0.57 0.76 -0.66 1.51 3.08 -1.17 -0.20 114.38 118.28 3mhg h ARG 235 Ca 0.08 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 59.88 3mhg h ARG 235 Cb 0.76 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.67 3mhg h ARG 235 CO 0.06 0.73 0.11 -0.44 -1.07 0.00 0.00 179.97 179.36 3mhg h ASP 236 N 0.73 1.03 -0.35 7.04 3.32 -1.00 -1.82 116.42 125.37 3mhg h ASP 236 Ca 0.15 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 3mhg h ASP 236 Cb 0.36 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3mhg h ASP 236 CO 0.01 1.02 0.09 -0.61 -1.72 0.00 0.00 179.24 178.03 3mhg h GLN 237 N 1.01 0.56 -0.60 3.56 4.15 -0.77 -2.16 115.11 120.86 3mhg h GLN 237 Ca 0.20 -0.13 0.08 0.00 0.77 0.00 0.00 58.65 59.57 3mhg h GLN 237 Cb 0.43 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.01 3mhg h GLN 237 CO 0.01 0.61 0.40 1.49 -1.93 0.00 0.00 178.83 179.41 3mhg h GLU 238 N 0.42 0.47 -0.01 1.69 4.57 -0.84 -0.94 114.58 119.93 3mhg h GLU 238 Ca 0.11 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 3mhg h GLU 238 Cb 0.30 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 3mhg h GLU 238 CO 0.00 0.31 0.00 0.00 -1.18 0.00 0.00 179.01 178.14 3mhg n ALA 239 N -2.50 2.61 0.67 2.92 0.00 -0.70 -3.89 120.51 119.62 3mhg n ALA 239 Ca 0.09 -0.37 0.12 0.00 0.00 0.00 0.00 53.44 53.28 3mhg n ALA 239 Cb 0.32 -1.27 0.17 0.00 0.00 0.00 0.00 19.45 18.66 3mhg n ALA 239 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3mhg n SER 240 N -0.19 0.63 -3.75 0.00 7.64 -0.36 -4.93 113.62 112.67 3mhg n SER 240 Ca 0.20 -0.01 -0.13 0.00 1.01 0.00 0.00 58.87 59.94 3mhg n SER 240 Cb 0.28 0.28 -0.08 0.00 -1.01 0.00 0.00 64.21 63.67 3mhg n SER 240 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3mhg s THR 241 N -3.13 0.06 -1.80 0.44 -1.32 -1.25 -3.65 115.64 104.99 3mhg s THR 241 Ca 0.07 -0.49 0.19 0.00 -1.21 0.00 0.00 61.69 60.25 3mhg s THR 241 Cb 0.15 -0.67 0.02 0.00 -1.51 0.00 0.00 72.50 70.48 3mhg s THR 241 CO 0.73 -0.27 0.97 0.47 -2.21 0.00 0.00 174.62 174.31 3mhg n ASP 242 N 1.16 1.90 -4.85 8.08 8.00 -1.26 -4.93 116.55 124.65 3mhg n ASP 242 Ca -0.21 -1.45 -0.31 0.00 0.71 0.00 0.00 54.79 53.52 3mhg n ASP 242 Cb 0.56 0.41 0.01 0.00 -0.02 0.00 0.00 41.12 42.08 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 -2.13 3.34 0.35 0.64 1.43 -1.26 -4.85 118.68 116.21 3mhg s LEU 243 Ca 0.16 1.53 -0.29 0.00 -1.03 0.00 0.00 54.13 54.51 3mhg s LEU 243 Cb 0.15 -4.49 -0.11 0.00 0.03 0.00 0.00 46.19 41.77 3mhg s LEU 243 CO 0.44 -0.93 1.52 -2.65 0.23 0.00 0.00 176.35 174.96 3mhg n PRO 244 N -2.44 2.69 -4.05 1.29 -0.02 -1.26 -4.92 135.00 126.30 3mhg n PRO 244 Ca 0.07 0.95 -0.13 0.00 -2.02 0.00 0.00 63.50 62.37 3mhg n PRO 244 Cb 0.54 -2.69 -0.12 0.00 -0.02 0.00 0.00 33.50 31.20 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 -0.79 0.47 0.12 6.00 -0.85 -1.26 -1.81 117.35 119.23 3mhg s TYR 245 Ca 0.56 -0.36 0.05 0.00 -0.52 0.00 0.00 57.07 56.81 3mhg s TYR 245 Cb -0.48 -0.29 -0.04 0.00 0.38 0.00 0.00 41.96 41.53 3mhg s TYR 245 CO 0.59 -0.08 -0.13 0.96 -1.52 0.00 0.00 175.55 175.37 3mhg s ILE 246 N -0.96 1.23 -0.01 -3.49 -4.36 0.16 -1.01 121.20 112.75 3mhg s ILE 246 Ca -0.07 -1.69 -0.10 0.00 -0.26 0.00 0.00 60.65 58.52 3mhg s ILE 246 Cb -0.07 -1.48 -0.05 0.00 1.25 0.00 0.00 42.46 42.11 3mhg s ILE 246 CO -0.00 -0.45 0.31 -0.31 0.24 0.00 0.00 174.94 174.73 3mhg s TYR 247 N -2.20 3.64 0.22 1.37 2.02 -0.82 -1.16 117.35 120.41 3mhg s TYR 247 Ca 0.08 0.74 -0.01 0.00 -0.37 0.00 0.00 57.07 57.51 3mhg s TYR 247 Cb -0.04 -2.11 -0.04 0.00 -0.40 0.00 0.00 41.96 39.36 3mhg s TYR 247 CO 0.02 0.64 0.42 -0.48 -1.57 0.00 0.00 175.55 174.58 3mhg s LEU 248 N -1.38 4.20 0.14 -1.29 0.05 -0.96 -1.42 118.68 118.03 3mhg s LEU 248 Ca 0.24 0.44 0.10 0.00 0.05 0.00 0.00 54.13 54.97 3mhg s LEU 248 Cb -0.14 -3.22 -0.14 0.00 -2.05 0.00 0.00 46.19 40.64 3mhg s LEU 248 CO 0.13 -0.07 1.22 0.77 -0.55 0.00 0.00 176.35 177.85 3mhg h SER 249 N 1.94 0.00 -0.30 1.48 4.64 -1.93 -3.43 113.55 115.96 3mhg h SER 249 Ca -0.48 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.71 3mhg h SER 249 Cb 1.19 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.23 3mhg h SER 249 CO 0.68 0.84 -0.12 0.00 -0.87 0.00 0.00 176.83 177.36 3mhg n ALA 250 N -2.34 -0.09 -1.14 5.18 0.00 -1.26 -2.62 120.51 118.23 3mhg n ALA 250 Ca -0.02 0.10 -0.05 0.00 0.00 0.00 0.00 53.44 53.47 3mhg n ALA 250 Cb 0.89 -1.28 -0.02 0.00 0.00 0.00 0.00 19.45 19.05 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 -0.63 0.75 3.68 0.00 0.00 -1.26 -5.03 105.19 102.70 3mhg n GLY 251 Ca -0.06 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.15 1.91 0.65 1.61 -7.23 -1.08 -4.81 120.40 109.31 3mhg s VAL 252 Ca 0.00 0.00 -0.16 0.00 -1.81 0.00 0.00 61.98 60.01 3mhg s VAL 252 Cb 0.00 -2.54 -0.00 0.00 0.56 0.00 0.00 36.38 34.39 3mhg s VAL 252 CO 0.00 0.00 1.16 -0.94 -0.31 0.00 0.00 175.10 175.01 3mhg s SER 253 N -3.68 4.93 0.35 4.85 1.04 -1.26 -4.37 113.70 115.57 3mhg s SER 253 Ca 0.67 2.22 0.02 0.00 0.48 0.00 0.00 55.95 59.34 3mhg s SER 253 Cb -0.16 -2.58 0.64 0.00 0.10 0.00 0.00 66.02 64.02 3mhg s SER 253 CO 0.57 -1.76 2.01 0.00 0.98 0.00 0.00 173.24 175.04 3mhg h ALA 254 N 0.29 1.55 -0.27 5.32 0.00 -1.95 -1.10 119.26 123.10 3mhg h ALA 254 Ca -0.48 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.33 3mhg h ALA 254 Cb 1.28 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3mhg h ALA 254 CO 0.53 0.42 -0.06 0.87 0.00 0.00 0.00 179.25 181.01 3mhg h LYS 255 N 0.86 0.52 -0.48 0.00 1.79 -1.93 -1.73 116.57 115.59 3mhg h LYS 255 Ca 0.23 -0.19 -0.06 0.00 -2.18 0.00 0.00 60.65 58.45 3mhg h LYS 255 Cb -0.09 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.51 3mhg h LYS 255 CO -0.05 0.72 0.07 1.25 -1.08 0.00 0.00 179.45 180.36 3mhg h LEU 256 N 0.27 0.77 -0.38 2.94 5.85 -1.85 -2.10 115.31 120.81 3mhg h LEU 256 Ca 0.07 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.55 3mhg h LEU 256 Cb 0.52 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 3mhg h LEU 256 CO 0.03 0.84 0.20 0.15 -0.34 0.00 0.00 178.44 179.31 3mhg h PHE 257 N 0.67 0.37 -0.80 1.25 3.57 -1.15 0.76 116.94 121.61 3mhg h PHE 257 Ca 0.15 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.68 3mhg h PHE 257 Cb 0.40 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.98 3mhg h PHE 257 CO 0.03 0.21 0.52 1.96 -2.23 0.00 0.00 178.31 178.80 3mhg h GLN 258 N 0.41 1.02 -0.12 1.11 4.20 -1.19 -1.00 115.11 119.54 3mhg h GLN 258 Ca 0.16 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.72 3mhg h GLN 258 Cb 0.05 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 3mhg h GLN 258 CO -0.10 0.68 -0.33 -0.44 -0.67 0.00 0.00 178.83 177.98 3mhg h ASP 259 N 1.05 0.23 -0.44 1.46 3.32 -0.93 -2.39 116.42 118.73 3mhg h ASP 259 Ca 0.30 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.20 3mhg h ASP 259 Cb -0.08 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3mhg h ASP 259 CO -0.08 0.56 0.01 0.74 -1.72 0.00 0.00 179.24 178.75 3mhg h THR 260 N 0.20 1.26 -0.68 0.35 2.02 0.11 -1.01 112.91 115.17 3mhg h THR 260 Ca 0.03 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.19 3mhg h THR 260 Cb 0.68 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 68.11 3mhg h THR 260 CO 0.05 0.35 0.40 -0.07 0.37 0.00 0.00 175.52 176.62 3mhg h LEU 261 N 0.61 0.83 -0.16 2.58 3.38 -1.01 0.13 115.31 121.67 3mhg h LEU 261 Ca 0.13 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.03 3mhg h LEU 261 Cb 0.47 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3mhg h LEU 261 CO 0.02 0.66 0.09 0.58 0.09 0.00 0.00 178.44 179.88 3mhg h VAL 262 N 0.93 1.01 -0.76 1.22 2.07 -1.23 -2.02 116.25 117.47 3mhg h VAL 262 Ca 0.24 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.67 3mhg h VAL 262 Cb -0.00 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 3mhg h VAL 262 CO -0.04 0.03 0.37 0.15 0.02 0.00 0.00 177.57 178.10 3mhg h PHE 263 N 0.19 1.08 0.19 1.57 3.57 -0.79 -1.44 116.94 121.31 3mhg h PHE 263 Ca 0.06 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3mhg h PHE 263 Cb 0.00 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.39 3mhg h PHE 263 CO -0.08 0.78 -0.20 0.00 -2.23 0.00 0.00 178.31 176.58 3mhg h ALA 264 N 1.33 -0.40 -0.55 2.41 0.00 -0.43 -0.38 119.26 121.24 3mhg h ALA 264 Ca 0.26 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.13 3mhg h ALA 264 Cb 0.10 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3mhg h ALA 264 CO -0.03 -0.75 0.34 0.00 0.00 0.00 0.00 179.25 178.81 3mhg h ALA 265 N 0.32 0.70 -0.41 0.00 0.00 -1.13 -1.39 119.26 117.36 3mhg h ALA 265 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3mhg h ALA 265 Cb 0.40 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3mhg h ALA 265 CO -0.05 0.08 0.23 0.93 0.00 0.00 0.00 179.25 180.44 3mhg h GLU 266 N 0.69 0.55 0.00 0.00 5.08 -1.04 -2.32 114.58 117.54 3mhg h GLU 266 Ca 0.21 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3mhg h GLU 266 Cb -0.02 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.12 3mhg h GLU 266 CO -0.08 0.40 0.00 0.77 -1.00 0.00 0.00 179.01 179.11 3mhg h SER 267 N 0.56 0.00 0.00 1.42 0.02 -0.43 -3.47 113.55 111.66 3mhg h SER 267 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3mhg h SER 267 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3mhg h SER 267 CO -0.03 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.27 3mhg n GLY 268 N 0.98 1.27 3.74 -3.77 0.00 -0.87 -4.60 105.19 101.94 3mhg n GLY 268 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 3.50 -0.71 4.61 0.00 -0.58 -4.88 121.76 121.69 3mhg s ALA 269 Ca 0.00 1.08 0.01 0.00 0.00 0.00 0.00 51.96 53.05 3mhg s ALA 269 Cb 0.00 -3.46 0.37 0.00 0.00 0.00 0.00 23.12 20.04 3mhg s ALA 269 CO 0.00 -0.49 1.67 1.63 0.00 0.00 0.00 175.76 178.57 3mhg n LYS 270 N 2.25 3.12 -1.83 0.00 4.76 -1.26 -4.41 118.16 120.79 3mhg n LYS 270 Ca 0.04 -3.95 -0.34 0.00 -2.87 0.00 0.00 58.31 51.19 3mhg n LYS 270 Cb 0.43 -2.27 0.05 0.00 -1.84 0.00 0.00 35.03 31.40 3mhg n LYS 270 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 3mhg s PHE 271 N -3.89 2.45 -0.18 2.13 -0.12 -1.26 -4.68 117.98 112.43 3mhg s PHE 271 Ca 0.50 1.55 0.16 0.00 -0.05 0.00 0.00 56.93 59.10 3mhg s PHE 271 Cb 0.41 -3.32 0.49 0.00 -0.63 0.00 0.00 43.02 39.96 3mhg s PHE 271 CO -0.32 -1.98 1.38 0.09 -0.05 0.00 0.00 175.22 174.34 3mhg n ASN 272 N -2.10 3.46 0.00 1.98 4.13 -0.18 -0.67 115.26 121.89 3mhg n ASN 272 Ca 0.12 -3.11 0.00 0.00 1.68 0.00 0.00 54.58 53.27 3mhg n ASN 272 Cb 0.51 -0.53 0.00 0.00 -1.54 0.00 0.00 39.78 38.21 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 -0.74 0.82 3.11 7.41 0.00 -1.26 -1.24 105.19 113.28 3mhg n GLY 273 Ca 0.22 -1.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.07 0.16 -0.55 1.61 -7.23 0.49 -1.93 120.40 110.87 3mhg s VAL 274 Ca 0.00 -1.30 0.01 0.00 -1.81 0.00 0.00 61.98 58.88 3mhg s VAL 274 Cb 0.00 -1.09 0.14 0.00 0.56 0.00 0.00 36.38 35.99 3mhg s VAL 274 CO 0.00 -0.72 0.32 -0.76 -0.31 0.00 0.00 175.10 173.64 3mhg s LEU 275 N -2.41 4.74 -0.21 1.32 1.43 -0.51 -1.87 118.68 121.17 3mhg s LEU 275 Ca -0.01 -2.88 -0.06 0.00 -1.03 0.00 0.00 54.13 50.15 3mhg s LEU 275 Cb 0.02 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 3mhg s LEU 275 CO -0.07 -0.30 0.03 0.00 0.23 0.00 0.00 176.35 176.24 3mhg n GLY 277 N 4.25 0.23 0.29 0.00 0.00 -1.26 -1.51 105.19 107.20 3mhg n GLY 277 Ca -0.17 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.86 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 0.73 0.00 1.61 3.08 -1.95 0.17 114.38 118.01 3mhg h ARG 278 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3mhg h ARG 278 Cb 0.00 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.89 3mhg h ARG 278 CO 0.00 0.48 0.15 0.00 -1.07 0.00 0.00 179.97 179.53 3mhg h ALA 279 N 1.41 1.12 0.00 0.04 0.00 -1.88 -0.30 119.26 119.66 3mhg h ALA 279 Ca 0.36 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.94 3mhg h ALA 279 Cb 0.28 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 3mhg h ALA 279 CO -0.22 -0.12 -2.14 2.41 0.00 0.00 0.00 179.25 179.18 3mhg n THR 280 N -2.39 1.13 0.49 0.00 -1.04 0.52 -4.28 114.28 108.72 3mhg n THR 280 Ca -0.02 -0.36 0.05 0.00 -2.04 0.00 0.00 64.05 61.69 3mhg n THR 280 Cb 0.19 -1.50 -0.05 0.00 -1.82 0.00 0.00 70.33 67.15 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 -3.53 0.00 -0.32 -1.42 4.27 -0.75 -4.66 117.44 111.03 3mhg n TRP 281 Ca -0.38 0.00 0.23 0.00 -3.89 0.00 0.00 57.50 53.46 3mhg n TRP 281 Cb 0.83 0.00 0.44 0.00 -1.36 0.00 0.00 31.31 31.22 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 1.55 1.75 0.00 -1.67 0.00 -1.25 0.16 119.26 119.80 3mhg h ALA 282 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3mhg h ALA 282 Cb 0.27 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3mhg h ALA 282 CO 0.00 -0.69 0.00 0.78 0.00 0.00 0.00 179.25 179.34 3mhg h GLY 283 N 0.12 0.00 1.95 0.00 0.00 -1.83 -2.76 103.07 100.56 3mhg h GLY 283 Ca 0.71 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.04 3mhg h GLY 283 CO -0.74 0.00 -0.05 1.48 0.00 0.00 0.00 176.54 177.24 3mhg h SER 284 N 0.00 0.00 0.24 0.19 4.64 -1.02 -3.35 113.55 114.25 3mhg h SER 284 Ca 0.00 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3mhg h SER 284 Cb 0.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 3mhg h SER 284 CO 0.00 0.00 -0.18 0.58 -0.87 0.00 0.00 176.83 176.36 3mhg h VAL 285 N 0.00 0.61 -0.68 0.95 2.07 -1.59 -0.21 116.25 117.40 3mhg h VAL 285 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 3mhg h VAL 285 Cb 0.94 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 3mhg h VAL 285 CO 0.00 0.00 0.44 0.50 0.02 0.00 0.00 177.57 178.53 3mhg h LYS 286 N -0.42 0.90 -0.30 1.57 3.64 -1.77 -1.17 116.57 119.01 3mhg h LYS 286 Ca -0.01 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3mhg h LYS 286 Cb 0.37 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3mhg h LYS 286 CO -0.00 0.60 0.16 0.28 -2.27 0.00 0.00 179.45 178.22 3mhg h VAL 287 N 0.92 1.13 -0.34 2.00 2.07 -1.67 -0.23 116.25 120.12 3mhg h VAL 287 Ca 0.25 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 3mhg h VAL 287 Cb -0.09 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 3mhg h VAL 287 CO -0.05 0.13 0.19 0.22 0.02 0.00 0.00 177.57 178.08 3mhg h TYR 288 N 0.36 0.46 -0.23 1.57 3.20 -0.74 0.44 116.97 122.04 3mhg h TYR 288 Ca 0.10 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 3mhg h TYR 288 Cb 0.07 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 3mhg h TYR 288 CO -0.03 0.36 -0.04 0.82 -1.64 0.00 0.00 178.16 177.63 3mhg h ILE 289 N 0.43 1.28 0.07 1.81 1.08 -1.09 -0.36 117.51 120.73 3mhg h ILE 289 Ca 0.12 -1.01 -0.25 0.00 -0.39 0.00 0.00 64.86 63.34 3mhg h ILE 289 Cb 0.04 1.47 -0.01 0.00 -3.07 0.00 0.00 36.82 35.26 3mhg h ILE 289 CO -0.02 0.31 -1.17 -0.33 -0.69 0.00 0.00 178.15 176.25 3mhg h GLU 290 N 0.17 0.15 0.00 2.37 5.08 -1.00 -3.40 114.58 117.95 3mhg h GLU 290 Ca 0.06 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3mhg h GLU 290 Cb 0.48 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 3mhg h GLU 290 CO 0.02 1.10 -1.02 0.39 -1.00 0.00 0.00 179.01 178.50 3mhg n GLU 291 N -3.44 1.98 0.00 2.33 -0.58 0.15 -5.08 120.64 116.01 3mhg n GLU 291 Ca -0.06 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 3mhg n GLU 291 Cb 0.99 -1.01 0.00 0.00 -0.57 0.00 0.00 31.44 30.85 3mhg n GLU 291 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mhg n GLY 292 N 2.73 1.39 0.10 0.62 0.00 -0.14 -4.56 105.19 105.32 3mhg n GLY 292 Ca -0.00 -2.15 -0.11 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.07 -0.87 1.61 0.13 -1.89 -0.45 132.00 130.46 3mhg h PRO 293 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.18 3mhg h PRO 293 Cb 0.00 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 31.09 3mhg h PRO 293 CO 0.00 -0.05 0.55 0.37 -0.23 0.00 0.00 178.00 178.64 3mhg h GLN 294 N -0.08 1.00 -0.33 0.86 5.75 -1.96 0.34 115.11 120.69 3mhg h GLN 294 Ca 0.04 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.46 3mhg h GLN 294 Cb 0.13 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.44 3mhg h GLN 294 CO -0.10 0.66 0.13 0.00 -2.65 0.00 0.00 178.83 176.88 3mhg h ALA 295 N 1.38 0.43 -1.01 3.38 0.00 -1.74 -2.37 119.26 119.33 3mhg h ALA 295 Ca 0.36 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.16 3mhg h ALA 295 Cb 0.09 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 3mhg h ALA 295 CO -0.14 0.02 0.67 0.00 0.00 0.00 0.00 179.25 179.79 3mhg h ALA 296 N 0.98 1.29 -0.61 0.00 0.00 0.02 -2.03 119.26 118.91 3mhg h ALA 296 Ca 0.11 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3mhg h ALA 296 Cb 0.18 -0.41 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3mhg h ALA 296 CO -0.01 0.66 0.39 -0.09 0.00 0.00 0.00 179.25 180.20 3mhg h ARG 297 N 1.36 0.77 -0.57 0.00 2.43 -0.06 -1.29 114.38 117.01 3mhg h ARG 297 Ca 0.37 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.40 3mhg h ARG 297 Cb -0.15 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.21 3mhg h ARG 297 CO -0.08 0.51 -0.02 0.93 -1.51 0.00 0.00 179.97 179.79 3mhg h GLU 298 N 0.79 1.01 -0.76 0.20 4.39 -0.99 -0.55 114.58 118.67 3mhg h GLU 298 Ca 0.23 -0.32 0.04 0.00 0.34 0.00 0.00 59.36 59.66 3mhg h GLU 298 Cb -0.04 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.47 3mhg h GLU 298 CO -0.07 1.00 0.50 2.35 -1.16 0.00 0.00 179.01 181.63 3mhg h TRP 299 N 0.92 0.87 -0.19 4.33 7.01 -0.96 -2.34 115.95 125.58 3mhg h TRP 299 Ca 0.16 0.02 -0.15 0.00 2.11 0.00 0.00 58.89 61.03 3mhg h TRP 299 Cb 0.56 -0.29 0.00 0.00 -2.10 0.00 0.00 29.16 27.34 3mhg h TRP 299 CO 0.04 0.49 -0.46 -0.07 -2.79 0.00 0.00 178.44 175.65 3mhg h LEU 300 N 0.89 0.74 -0.68 0.65 3.38 -0.55 0.28 115.31 120.01 3mhg h LEU 300 Ca 0.31 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3mhg h LEU 300 Cb 0.11 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3mhg h LEU 300 CO -0.10 1.17 0.00 0.54 0.09 0.00 0.00 178.44 180.15 3mhg n ARG 301 N -4.19 0.20 0.00 1.13 1.74 -0.28 -0.64 116.66 114.63 3mhg n ARG 301 Ca -0.06 0.41 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 3mhg n ARG 301 Cb 0.57 -1.88 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 3mhg n ARG 301 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3mhg n THR 302 N -2.26 0.00 -0.04 0.55 -2.24 -0.90 -4.49 114.28 104.90 3mhg n THR 302 Ca 0.02 0.04 -0.06 0.00 -2.27 0.00 0.00 64.05 61.79 3mhg n THR 302 Cb 0.24 -0.81 0.14 0.00 -2.10 0.00 0.00 70.33 67.80 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 0.64 -0.19 -0.78 4.39 -1.14 -1.13 114.58 116.37 3mhg h GLU 303 Ca 0.00 -0.25 -0.03 0.00 0.34 0.00 0.00 59.36 59.42 3mhg h GLU 303 Cb 0.00 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 3mhg h GLU 303 CO 0.00 0.82 0.00 0.78 -1.16 0.00 0.00 179.01 179.45 3mhg h GLY 304 N 0.99 0.36 1.12 -3.84 0.00 -0.41 -1.06 103.07 100.23 3mhg h GLY 304 Ca 0.08 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 3mhg h GLY 304 CO 0.05 0.24 0.19 -2.75 0.00 0.00 0.00 176.54 174.27 3mhg h PHE 305 N 0.09 1.13 -0.69 5.60 3.57 -0.81 -1.81 116.94 124.02 3mhg h PHE 305 Ca 0.05 -0.12 -0.08 0.00 3.53 0.00 0.00 57.97 61.36 3mhg h PHE 305 Cb 0.38 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 3mhg h PHE 305 CO 0.03 0.91 0.13 -0.22 -2.23 0.00 0.00 178.31 176.94 3mhg h LYS 306 N 1.04 1.13 0.23 1.11 3.64 -1.10 0.29 116.57 122.91 3mhg h LYS 306 Ca 0.22 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3mhg h LYS 306 Cb 0.33 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 3mhg h LYS 306 CO -0.00 1.02 -0.19 -0.91 -2.27 0.00 0.00 179.45 177.09 3mhg h ASN 307 N 1.06 -0.50 0.08 4.20 2.35 -0.89 -0.85 115.58 121.03 3mhg h ASN 307 Ca 0.21 0.04 -0.20 0.00 -0.55 0.00 0.00 56.30 55.81 3mhg h ASN 307 Cb 0.42 0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.96 3mhg h ASN 307 CO 0.01 -0.29 -0.73 -0.29 -1.65 0.00 0.00 177.43 174.48 3mhg h ILE 308 N -0.44 1.33 -0.65 2.81 2.10 -1.15 -1.38 117.51 120.14 3mhg h ILE 308 Ca -0.01 -2.04 -0.03 0.00 1.08 0.00 0.00 64.86 63.86 3mhg h ILE 308 Cb 0.40 2.03 -0.03 0.00 -1.09 0.00 0.00 36.82 38.12 3mhg h ILE 308 CO -0.03 0.63 0.29 -0.78 -1.08 0.00 0.00 178.15 177.18 3mhg h ASP 309 N 0.39 0.87 -0.43 2.19 3.58 -0.43 0.63 116.42 123.22 3mhg h ASP 309 Ca -0.03 -0.15 -0.10 0.00 0.42 0.00 0.00 57.03 57.16 3mhg h ASP 309 Cb 1.32 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 42.13 3mhg h ASP 309 CO 0.14 0.79 -0.10 -0.08 -2.88 0.00 0.00 179.24 177.11 3mhg h GLU 310 N 0.91 0.89 -0.29 0.28 4.81 -1.01 -1.93 114.58 118.23 3mhg h GLU 310 Ca 0.22 -0.30 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3mhg h GLU 310 Cb 0.16 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 3mhg h GLU 310 CO -0.02 0.94 0.17 1.25 -0.73 0.00 0.00 179.01 180.62 3mhg h LEU 311 N 0.80 0.36 -1.02 1.64 5.85 -0.94 -2.82 115.31 119.19 3mhg h LEU 311 Ca 0.13 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.87 3mhg h LEU 311 Cb 0.61 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.48 3mhg h LEU 311 CO 0.04 0.32 0.64 0.78 -0.34 0.00 0.00 178.44 179.88 3mhg h ASN 312 N 0.36 1.00 -0.19 1.25 2.35 -0.49 0.31 115.58 120.17 3mhg h ASN 312 Ca 0.10 0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.77 3mhg h ASN 312 Cb 0.03 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 3mhg h ASN 312 CO -0.02 0.60 -0.22 0.11 -1.65 0.00 0.00 177.43 176.26 3mhg h LYS 313 N 1.11 0.64 -0.32 0.81 1.57 -1.24 -0.41 116.57 118.72 3mhg h LYS 313 Ca 0.45 -0.24 -0.10 0.00 -1.87 0.00 0.00 60.65 58.89 3mhg h LYS 313 Cb 0.27 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3mhg h LYS 313 CO -0.20 0.81 -0.18 0.28 -0.57 0.00 0.00 179.45 179.59 3mhg h VAL 314 N 0.57 1.29 -0.97 0.50 2.07 -1.08 -3.08 116.25 115.54 3mhg h VAL 314 Ca 0.08 -1.30 0.04 0.00 0.82 0.00 0.00 66.70 66.34 3mhg h VAL 314 Cb 0.68 1.44 -0.06 0.00 -1.52 0.00 0.00 31.29 31.83 3mhg h VAL 314 CO 0.05 0.42 0.64 -0.07 0.02 0.00 0.00 177.57 178.63 3mhg h LEU 315 N 0.46 1.05 -2.16 2.57 3.38 -0.67 -1.43 115.31 118.51 3mhg h LEU 315 Ca 0.07 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.10 3mhg h LEU 315 Cb 0.72 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3mhg h LEU 315 CO 0.05 0.72 0.21 0.44 0.09 0.00 0.00 178.44 179.95 3mhg h ASP 316 N 1.22 0.00 -0.04 -0.43 3.32 -0.99 -1.00 116.42 118.50 3mhg h ASP 316 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 3mhg h ASP 316 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3mhg h ASP 316 CO -0.12 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.69 3mhg n LYS 317 N -3.99 1.06 0.00 3.56 4.76 -0.61 -4.77 118.16 118.16 3mhg n LYS 317 Ca 0.03 -1.39 0.00 0.00 -2.87 0.00 0.00 58.31 54.08 3mhg n LYS 317 Cb 0.35 -1.28 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 3mhg n LYS 317 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3mhg n THR 318 N 0.80 0.00 -2.52 -0.18 -2.24 -0.72 -5.05 114.28 104.37 3mhg n THR 318 Ca 0.09 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.52 3mhg n THR 318 Cb 0.36 -0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 68.18 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 2.92 0.01 6.98 0.00 -0.46 -4.71 121.76 124.82 3mhg s ALA 319 Ca 0.00 0.65 0.03 0.00 0.00 0.00 0.00 51.96 52.64 3mhg s ALA 319 Cb 0.00 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 3mhg s ALA 319 CO 0.00 -0.32 -0.04 -1.12 0.00 0.00 0.00 175.76 174.28 3mhg s SER 320 N -1.85 4.82 0.31 0.00 0.01 0.16 -4.95 113.70 112.20 3mhg s SER 320 Ca 0.65 -0.10 -0.29 0.00 1.31 0.00 0.00 55.95 57.52 3mhg s SER 320 Cb -0.18 -1.17 -0.10 0.00 0.21 0.00 0.00 66.02 64.78 3mhg s SER 320 CO 0.22 0.27 1.19 -2.16 0.41 0.00 0.00 173.24 173.17 3mhg s PRO 321 N -1.54 4.47 0.20 12.44 0.04 -1.26 -4.00 135.00 145.35 3mhg s PRO 321 Ca 0.19 1.97 0.24 0.00 0.04 0.00 0.00 61.00 63.43 3mhg s PRO 321 Cb -0.11 -3.09 0.91 0.00 0.04 0.00 0.00 34.50 32.25 3mhg s PRO 321 CO 0.09 0.01 1.73 -2.67 0.04 0.00 0.00 177.00 176.20 3mhg n TRP 322 N 0.92 0.74 0.21 0.56 4.27 0.10 -1.95 117.44 122.29 3mhg n TRP 322 Ca -0.00 0.26 0.09 0.00 -3.89 0.00 0.00 57.50 53.95 3mhg n TRP 322 Cb 0.44 -0.91 0.47 0.00 -1.36 0.00 0.00 31.31 29.94 3mhg n TRP 322 CO 0.00 0.00 0.00 1.79 -2.29 0.00 0.00 177.69 177.19 3mhg h THR 323 N 0.00 0.00 0.00 -1.67 1.35 -1.91 -3.48 112.91 107.20 3mhg h THR 323 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3mhg h THR 323 Cb 0.49 0.38 0.00 0.00 -1.73 0.00 0.00 68.15 67.30 3mhg h THR 323 CO 0.00 0.00 0.00 1.21 -0.25 0.00 0.00 175.52 176.48